*HEADER    VIRUS/VIRAL PROTEIN                     28-JUL-98   1BM4              
*TITLE     MOMLV CAPSID PROTEIN MAJOR HOMOLOGY REGION PEPTIDE ANALOG             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: MOLONEY MURINE LEUKEMIA VIRUS CAPSID;                      
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: MAJOR HOMOLOGY REGION PEPTIDE, N-TERMINAL CYS;             
*COMPND   5 SYNONYM: MOMLV CA MHR PEPTIDE ANALOG;                                
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PROTEIN WAS CHEMICALLY SYNTHESIZED FROM           
*SOURCE   4 MOLONEY MURINE LEUKEMIA VIRUS (MOMLV).                               
*KEYWDS    MOLONEY MURINE LEUKEMIA VIRUS CAPSID PROTEIN, MOMLV, MU-MLV,          
*KEYWDS   2 CAPSID, MHR, MAJOR HOMOLOGY REGION                                   
*EXPDTA    NMR, 9 STRUCTURES                                                     
*AUTHOR    C.B.CLISH, D.H.PEYTON, E.BARKLIS                                      
*REVDAT   2   29-DEC-99 1BM4    4       HEADER COMPND REMARK JRNL                
*REVDAT   2 2                   4       ATOM   SOURCE SEQRES                     
*REVDAT   1   05-AUG-98 1BM4    0                                                

!BIOSYM restraint 1                                                             
!                                                                               
#remote_prochiral_center                                                        
1:LEU_22:HD2*   1:LEU_22:HD1*   1:LEU_22:CD2    1:LEU_22:CD1    1:LEU_22:CG     
!                                                                               
#chiral                                                                         
1:CYHn_1:CA        R                                                            
1:ALA_2:CA         S                                                            
1:LYS+_3:CA        S                                                            
1:VAL_4:CA         S                                                            
1:LYS+_5:CA        S                                                            
1:ILE_7:CA         S                                                            
1:ILE_7:CB         S                                                            
1:THR_8:CA         S                                                            
1:THR_8:CB         R                                                            
1:GLN_9:CA         S                                                            
1:PRO_11:CA        S                                                            
1:ASN_12:CA        S                                                            
1:GLU_13:CA        S                                                            
1:SER_14:CA        S                                                            
1:PRO_15:CA        S                                                            
1:SER_16:CA        S                                                            
1:ALA_17:CA        S                                                            
1:PHE_18:CA        S                                                            
1:LEU_19:CA        S                                                            
1:GLU_20:CA        S                                                            
1:ARG+_21:CA       S                                                            
1:LEU_22:CA        S                                                            
1:LYS+_23:CA       S                                                            
1:GLU_24:CA        S                                                            
1:ALA_25:CA        S                                                            
1:TYR_26:CA        S                                                            
1:ARG+_27:CA       S                                                            
1:ARG+_28:CA       S                                                            
1:TYR_29:CA        S                                                            
1:THR_30:CA        S                                                            
1:THR_30:CB        R                                                            
1:PRO_31:CA        S                                                            
1:TYR_32:CA        S                                                            
!                                                                               
#NOE_distance                                                                   
1:ALA_2:HN         1:CYHn_1:HA         -1.00  5.000  5.000  30.00 30.00 1000.000
1:THR_30:HN        1:PRO_31:HA         -1.00  5.000  5.000  30.00 30.00 1000.000
1:THR_30:HN        1:THR_30:HB         -1.00  3.500  3.500  30.00 30.00 1000.000
1:TYR_32:HN        1:THR_30:HB         -1.00  5.000  5.000  30.00 30.00 1000.000
1:TYR_29:HN        1:TYR_29:HA         -1.00  5.000  5.000  30.00 30.00 1000.000
1:SER_16:HN        1:GLU_13:HA         -1.00  3.500  3.500  30.00 30.00 1000.000
1:ASN_12:HN        1:PRO_11:HA         -1.00  2.700  2.700  30.00 30.00 1000.000
1:LYS+_5:HN        1:VAL_4:HA          -1.00  2.700  2.700  30.00 30.00 1000.000
1:ARG+_21:HN       1:ARG+_21:HA        -1.00  2.700  2.700  30.00 30.00 1000.000
1:VAL_4:HN         1:LYS+_3:HA         -1.00  3.500  3.500  30.00 30.00 1000.000
1:ARG+_21:HN       1:PHE_18:HA         -1.00  3.500  3.500  30.00 30.00 1000.000
1:SER_14:HN        1:GLU_13:HA         -1.00  3.500  3.500  30.00 30.00 1000.000
1:GLU_13:HN        1:GLU_13:HA         -1.00  3.500  3.500  30.00 30.00 1000.000
1:THR_8:HN         1:THR_8:HA          -1.00  3.500  3.500  30.00 30.00 1000.000
1:THR_8:HN         1:ILE_7:HA          -1.00  2.700  2.700  30.00 30.00 1000.000
1:ALA_25:HN        1:ALA_25:HA         -1.00  2.700  2.700  30.00 30.00 1000.000
1:GLU_24:HN        1:GLU_24:HA         -1.00  2.700  2.700  30.00 30.00 1000.000
1:SER_16:HN        1:SER_16:HB*        -1.00  3.700  2.700  30.00 30.00 1000.000
1:LEU_22:HN        1:LEU_22:HA         -1.00  2.700  2.700  30.00 30.00 1000.000
1:ILE_7:HN         1:GLY_6:HA*         -1.00  4.500  3.500  30.00 30.00 1000.000
1:GLY_10:HN        1:GLN_9:HA          -1.00  2.700  2.700  30.00 30.00 1000.000
1:LEU_19:HN        1:SER_16:HA         -1.00  3.500  3.500  30.00 30.00 1000.000
1:LEU_19:HN        1:PHE_18:HA         -1.00  3.500  3.500  30.00 30.00 1000.000
1:TYR_29:HN        1:TYR_26:HA         -1.00  3.500  3.500  30.00 30.00 1000.000
1:ILE_7:HN         1:ILE_7:HA          -1.00  3.500  3.500  30.00 30.00 1000.000
1:SER_16:HN        1:SER_16:HA         -1.00  2.700  2.700  30.00 30.00 1000.000
1:ARG+_28:HN       1:ARG+_28:HA        -1.00  2.700  2.700  30.00 30.00 1000.000
1:LYS+_3:HN        1:LYS+_3:HA         -1.00  2.700  2.700  30.00 30.00 1000.000
1:GLY_6:HN         1:LYS+_5:HA         -1.00  2.700  2.700  30.00 30.00 1000.000
1:PHE_18:HD*       1:PHE_18:HA         -1.00  5.500  3.500  30.00 30.00 1000.000
1:ARG+_27:HE       1:ARG+_27:HA        -1.00  5.000  5.000  30.00 30.00 1000.000
1:SER_14:HA        1:SER_14:HN         -1.00  5.000  5.000  30.00 30.00 1000.000
1:TYR_32:HA        1:TYR_32:HN         -1.00  5.000  5.000  30.00 30.00 1000.000
1:PRO_31:HA        1:TYR_32:HN         -1.00  3.500  3.500  30.00 30.00 1000.000
1:ARG+_27:HA       1:THR_30:HN         -1.00  5.000  5.000  30.00 30.00 1000.000
1:THR_30:HA        1:THR_30:HN         -1.00  3.500  3.500  30.00 30.00 1000.000
1:ASN_12:HA        1:ASN_12:HN         -1.00  5.000  5.000  30.00 30.00 1000.000
1:GLY_10:HA*       1:ASN_12:HN         -1.00  6.000  5.000  30.00 30.00 1000.000
1:ASN_12:HA        1:GLU_13:HN         -1.00  3.500  3.500  30.00 30.00 1000.000
1:GLN_9:HA         1:GLN_9:HN          -1.00  2.700  2.700  30.00 30.00 1000.000
1:ALA_17:HA        1:GLU_20:HN         -1.00  3.500  3.500  30.00 30.00 1000.000
1:TYR_26:HA        1:TYR_26:HN         -1.00  2.700  2.700  30.00 30.00 1000.000
1:GLU_20:HA        1:LYS+_23:HN        -1.00  2.700  2.700  30.00 30.00 1000.000
1:GLY_6:HA*        1:LYS+_5:HN         -1.00  3.700  2.700  30.00 30.00 1000.000
1:GLY_10:HA*       1:GLN_9:HN          -1.00  3.700  2.700  30.00 30.00 1000.000
1:GLU_20:HA        1:GLU_20:HN         -1.00  2.700  2.700  30.00 30.00 1000.000
1:LYS+_23:HN       1:ARG+_21:HN        -1.00  5.000  5.000  30.00 30.00 1000.000
1:GLU_20:HN        1:ARG+_21:HN        -1.00  3.500  3.500  30.00 30.00 1000.000
1:LEU_22:HN        1:ARG+_21:HN        -1.00  3.500  3.500  30.00 30.00 1000.000
1:TYR_29:HN        1:ARG+_28:HN        -1.00  2.700  2.700  30.00 30.00 1000.000
1:ALA_25:HN        1:GLU_24:HN         -1.00  2.700  2.700  30.00 30.00 1000.000
1:TYR_26:HN        1:ALA_25:HN         -1.00  5.000  5.000  30.00 30.00 1000.000
1:GLU_20:HN        1:LEU_19:HN         -1.00  3.500  3.500  30.00 30.00 1000.000
1:VAL_4:HN         1:LYS+_5:HN         -1.00  3.500  3.500  30.00 30.00 1000.000
1:LEU_22:HN        1:LYS+_23:HN        -1.00  2.700  2.700  30.00 30.00 1000.000
1:GLU_24:HN        1:LYS+_23:HN        -1.00  2.700  2.700  30.00 30.00 1000.000
1:ARG+_27:HN       1:TYR_26:HN         -1.00  3.500  3.500  30.00 30.00 1000.000
1:ASN_12:HN        1:GLU_13:HN         -1.00  3.500  3.500  30.00 30.00 1000.000
1:ILE_7:HN         1:ASN_12:HN         -1.00  5.000  5.000  30.00 30.00 1000.000
1:TYR_29:HN        1:THR_30:HN         -1.00  3.500  3.500  30.00 30.00 1000.000
1:LEU_19:HN        1:PHE_18:HD*        -1.00  7.000  5.000  30.00 30.00 1000.000
1:ALA_25:HN        1:TYR_26:HD*        -1.00  7.000  5.000  30.00 30.00 1000.000
1:PHE_18:HN        1:PHE_18:HD*        -1.00  7.000  5.000  30.00 30.00 1000.000
1:THR_30:HN        1:TYR_29:HD*        -1.00  5.500  3.500  30.00 30.00 1000.000
1:ARG+_28:HN       1:TYR_29:HE*        -1.00  5.500  3.500  30.00 30.00 1000.000
1:PHE_18:HE*       1:PHE_18:HD*        -1.00  6.700  2.700  30.00 30.00 1000.000
1:LYS+_23:HN       1:LEU_22:HD1*       -1.00  6.000  5.000  30.00 30.00 1000.000
1:GLN_9:HN         1:THR_8:HG2*        -1.00  6.000  5.000  30.00 30.00 1000.000
1:THR_8:HN         1:THR_8:HG2*        -1.00  6.000  5.000  30.00 30.00 1000.000
1:LEU_22:HN        1:LEU_22:HD1*       -1.00  6.000  5.000  30.00 30.00 1000.000
1:THR_30:HN        1:THR_30:HG2*       -1.00  6.000  5.000  30.00 30.00 1000.000
1:PHE_18:HE*       1:LEU_22:HD1*       -1.00  6.500  3.500  30.00 30.00 1000.000
1:PHE_18:HD*       1:LEU_22:HD1*       -1.00  8.000  5.000  30.00 30.00 1000.000
1:PHE_18:HD*       1:LEU_19:HD*        -1.00  7.900  3.500  30.00 30.00 1000.000
1:PHE_18:HE*       1:LEU_19:HD*        -1.00  9.400  5.000  30.00 30.00 1000.000
1:TYR_26:HD*       1:LEU_22:HD1*       -1.00  8.000  5.000  30.00 30.00 1000.000
1:TYR_26:HE*       1:LEU_22:HD1*       -1.00  8.000  5.000  30.00 30.00 1000.000
1:LEU_19:HN        1:LEU_19:HD*        -1.00  5.900  3.500  30.00 30.00 1000.000
1:GLU_20:HN        1:LEU_19:HD*        -1.00  7.400  5.000  30.00 30.00 1000.000
1:LEU_22:HN        1:LEU_22:HD2*       -1.00  4.500  3.500  30.00 30.00 1000.000
1:ALA_2:HN         1:ALA_2:HB*         -1.00  6.000  5.000  30.00 30.00 1000.000
1:ASN_12:HN        1:PRO_11:HD1        -1.00  5.000  5.000  30.00 30.00 1000.000
1:GLN_9:HN         1:PRO_11:HD1        -1.00  5.000  5.000  30.00 30.00 1000.000
1:THR_30:HN        1:PRO_31:HD*        -1.00  6.000  5.000  30.00 30.00 1000.000
1:TYR_32:HN        1:PRO_31:HD*        -1.00  6.000  5.000  30.00 30.00 1000.000
1:GLU_13:HN        1:ASN_12:HB*        -1.00  6.000  5.000  30.00 30.00 1000.000
1:THR_30:HN        1:TYR_29:HB2        -1.00  5.000  5.000  30.00 30.00 1000.000
1:THR_30:HN        1:TYR_29:HB1        -1.00  5.000  5.000  30.00 30.00 1000.000
1:LEU_19:HN        1:PHE_18:HB*        -1.00  4.500  3.500  30.00 30.00 1000.000
1:PHE_18:HN        1:PHE_18:HB*        -1.00  3.700  2.700  30.00 30.00 1000.000
1:ARG+_27:HN       1:TYR_26:HB*        -1.00  4.500  3.500  30.00 30.00 1000.000
1:ARG+_28:HE       1:ARG+_28:HD*       -1.00  3.700  2.700  30.00 30.00 1000.000
1:PHE_18:HD*       1:PHE_18:HB*        -1.00  5.700  2.700  30.00 30.00 1000.000
1:PHE_18:HE*       1:PHE_18:HB*        -1.00  6.500  3.500  30.00 30.00 1000.000
1:ASN_12:HN        1:PRO_11:HB*        -1.00  6.000  5.000  30.00 30.00 1000.000
1:GLU_20:HN        1:GLU_20:HG*        -1.00  6.000  5.000  30.00 30.00 1000.000
1:SER_14:HN        1:GLU_13:HG2        -1.00  5.000  5.000  30.00 30.00 1000.000
1:SER_16:HN        1:PRO_15:HB*        -1.00  6.000  5.000  30.00 30.00 1000.000
1:GLU_24:HN        1:GLU_24:HG1        -1.00  5.000  5.000  30.00 30.00 1000.000
1:GLU_24:HN        1:GLU_24:HG2        -1.00  5.000  5.000  30.00 30.00 1000.000
1:ARG+_21:HN       1:GLU_20:HG*        -1.00  6.000  5.000  30.00 30.00 1000.000
1:ARG+_28:HE       1:ARG+_28:HB*       -1.00  6.000  5.000  30.00 30.00 1000.000
1:VAL_4:HN         1:VAL_4:HB          -1.00  5.000  5.000  30.00 30.00 1000.000
1:SER_16:HN        1:PRO_15:HG2        -1.00  3.500  3.500  30.00 30.00 1000.000
1:LYS+_5:HN        1:VAL_4:HB          -1.00  5.000  5.000  30.00 30.00 1000.000
1:GLU_24:HN        1:GLU_24:HB*        -1.00  3.700  2.700  30.00 30.00 1000.000
1:ARG+_21:HN       1:GLU_20:HB2        -1.00  3.500  3.500  30.00 30.00 1000.000
1:ARG+_21:HN       1:GLU_20:HB1        -1.00  3.500  3.500  30.00 30.00 1000.000
1:TYR_32:HN        1:PRO_31:HB*        -1.00  6.000  5.000  30.00 30.00 1000.000
1:THR_30:HN        1:ARG+_28:HB*       -1.00  6.000  5.000  30.00 30.00 1000.000
1:ARG+_21:HN       1:LEU_22:HG         -1.00  5.000  5.000  30.00 30.00 1000.000
1:ARG+_21:HN       1:ARG+_21:HG1       -1.00  5.000  5.000  30.00 30.00 1000.000
1:TYR_29:HN        1:ARG+_28:HB*       -1.00  4.500  3.500  30.00 30.00 1000.000
1:LYS+_23:HN       1:LEU_22:HB*        -1.00  3.700  2.700  30.00 30.00 1000.000
1:TYR_26:HN        1:ALA_25:HB*        -1.00  4.500  3.500  30.00 30.00 1000.000
1:GLU_20:HN        1:LEU_19:HB1        -1.00  3.500  3.500  30.00 30.00 1000.000
1:GLU_24:HN        1:LYS+_23:HB*       -1.00  3.700  2.700  30.00 30.00 1000.000
1:LEU_22:HN        1:ARG+_21:HB*       -1.00  3.700  2.700  30.00 30.00 1000.000
1:PRO_31:HD*       1:TYR_32:HD*        -1.00  8.000  5.000  30.00 30.00 1000.000
1:PRO_11:HD1       1:GLY_10:HN         -1.00  5.000  5.000  30.00 30.00 1000.000
1:PRO_11:HD2       1:GLY_10:HN         -1.00  5.000  5.000  30.00 30.00 1000.000
1:GLU_13:HG2       1:GLU_13:HN         -1.00  3.500  3.500  30.00 30.00 1000.000
1:GLN_9:HG2        1:GLN_9:HN          -1.00  5.000  5.000  30.00 30.00 1000.000
1:ARG+_27:HG*      1:ARG+_27:HE        -1.00  6.000  5.000  30.00 30.00 1000.000
1:ALA_25:HB*       1:ALA_25:HN         -1.00  3.700  2.700  30.00 30.00 1000.000
1:LYS+_23:HG*      1:LYS+_23:HN        -1.00  4.500  3.500  30.00 30.00 1000.000
1:ARG+_21:HB*      1:ARG+_21:HN        -1.00  3.700  2.700  30.00 30.00 1000.000
1:ILE_7:HB         1:ILE_7:HN          -1.00  2.700  2.700  30.00 30.00 1000.000
1:LEU_22:HB*       1:LEU_22:HN         -1.00  3.700  2.700  30.00 30.00 1000.000
1:GLU_24:HG2       1:ARG+_21:HA        -1.00  5.000  5.000  30.00 30.00 1000.000
1:GLU_20:HG*       1:ALA_17:HA         -1.00  6.000  5.000  30.00 30.00 1000.000
1:PRO_15:HB*       1:PRO_15:HD*        -1.00  5.500  3.500  30.00 30.00 1000.000
1:GLU_20:HB2       1:ALA_17:HA         -1.00  3.500  3.500  30.00 30.00 1000.000
1:ALA_25:HB*       1:LEU_22:HA         -1.00  3.700  2.700  30.00 30.00 1000.000
1:THR_30:HG2*      1:ARG+_27:HA        -1.00  6.000  5.000  30.00 30.00 1000.000
1:SER_14:HA        1:PRO_15:HD*        -1.00  4.500  3.500  30.00 30.00 1000.000
1:TYR_29:HA        1:ARG+_28:HA        -1.00  5.000  5.000  30.00 30.00 1000.000
1:VAL_4:HA         1:LYS+_3:HA         -1.00  5.000  5.000  30.00 30.00 1000.000
1:PRO_31:HD*       1:THR_30:HB         -1.00  4.500  3.500  30.00 30.00 1000.000
1:PRO_11:HD1       1:GLY_10:HA*        -1.00  3.700  2.700  30.00 30.00 1000.000
1:PRO_31:HD*       1:THR_30:HA         -1.00  3.700  2.700  30.00 30.00 1000.000
1:PHE_18:HB*       1:PHE_18:HA         -1.00  3.700  2.700  30.00 30.00 1000.000
1:TYR_26:HB*       1:LYS+_23:HA        -1.00  3.700  2.700  30.00 30.00 1000.000
1:TYR_29:HB2       1:TYR_26:HA         -1.00  5.000  5.000  30.00 30.00 1000.000
1:ALA_25:HA        1:ARG+_28:HD*       -1.00  6.000  5.000  30.00 30.00 1000.000
1:GLU_20:HA        1:LYS+_23:HE*       -1.00  6.000  5.000  30.00 30.00 1000.000
1:GLY_10:HA*       1:PRO_11:HD2        -1.00  4.500  3.500  30.00 30.00 1000.000
1:THR_30:HG2*      1:PRO_31:HD*        -1.00  7.000  5.000  30.00 30.00 1000.000
1:THR_30:HA        1:PRO_31:HG2        -1.00  5.000  5.000  30.00 30.00 1000.000
1:ALA_25:HA        1:ARG+_28:HB*       -1.00  4.500  3.500  30.00 30.00 1000.000
1:GLU_24:HA        1:ARG+_27:HB*       -1.00  3.700  2.700  30.00 30.00 1000.000
1:GLU_20:HG*       1:ALA_17:HB*        -1.00  7.000  5.000  30.00 30.00 1000.000
1:LYS+_23:HB*      1:GLU_20:HG*        -1.00  7.000  5.000  30.00 30.00 1000.000
1:LEU_19:HB2       1:SER_16:HA         -1.00  3.500  3.500  30.00 30.00 1000.000
1:ARG+_21:HB*      1:PHE_18:HA         -1.00  4.500  3.500  30.00 30.00 1000.000
!                                                                               
#mixing_times                                                                   
1.000000E-01 1.500000E-01 3.000000E-01                                          


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    CYS   1          1H        CYS   1 -21.553  10.343  -6.598
    2   2H    CYS   1          2H        CYS   1 -21.602  11.032  -5.118
    3    HA   CYS   1           HA       CYS   1 -23.071   9.211  -5.050
    4   1HB   CYS   1          1HB       CYS   1 -22.313   6.929  -5.785
    5   2HB   CYS   1          2HB       CYS   1 -22.263   8.117  -7.083
    6    HG   CYS   1           HG       CYS   1 -19.868   6.657  -5.384
    7    H    ALA   2           H        ALA   2 -23.269   9.010  -2.906
    8    HA   ALA   2           HA       ALA   2 -20.988   9.043  -1.016
    9   1HB   ALA   2          1HB       ALA   2 -23.164  10.227  -0.609
   10   2HB   ALA   2          2HB       ALA   2 -24.045   8.680  -0.561
   11   3HB   ALA   2          3HB       ALA   2 -22.847   9.068   0.691
   12    H    LYS   3           H        LYS   3 -23.578   6.515  -1.106
   13    HA   LYS   3           HA       LYS   3 -22.145   4.641   0.452
   14   1HB   LYS   3          1HB       LYS   3 -24.619   4.799   0.043
   15   2HB   LYS   3          2HB       LYS   3 -24.448   4.245  -1.607
   16   1HG   LYS   3          1HG       LYS   3 -23.443   2.462   0.689
   17   2HG   LYS   3          2HG       LYS   3 -25.166   2.652   0.508
   18   1HD   LYS   3          1HD       LYS   3 -25.318   1.572  -1.560
   19   2HD   LYS   3          2HD       LYS   3 -23.695   1.927  -2.075
   20   1HE   LYS   3          1HE       LYS   3 -24.284  -0.026   0.269
   21   2HE   LYS   3          2HE       LYS   3 -24.269  -0.560  -1.407
   22   1HZ   LYS   3          1HZ       LYS   3 -21.923   1.072  -0.605
   23   2HZ   LYS   3          2HZ       LYS   3 -21.967  -0.451   0.053
   24   3HZ   LYS   3          3HZ       LYS   3 -21.957  -0.228  -1.581
   25    H    VAL   4           H        VAL   4 -21.324   5.175  -2.812
   26    HA   VAL   4           HA       VAL   4 -20.109   2.356  -3.164
   27    HB   VAL   4           HB       VAL   4 -21.023   4.276  -5.392
   28   1HG1  VAL   4          1HG1      VAL   4 -18.994   2.963  -6.111
   29   2HG1  VAL   4          2HG1      VAL   4 -19.792   1.440  -5.656
   30   3HG1  VAL   4          3HG1      VAL   4 -20.429   2.433  -6.990
   31   1HG2  VAL   4          1HG2      VAL   4 -23.011   3.077  -4.402
   32   2HG2  VAL   4          2HG2      VAL   4 -22.677   2.493  -6.037
   33   3HG2  VAL   4          3HG2      VAL   4 -22.201   1.507  -4.631
   34    H    LYS   5           H        LYS   5 -18.505   3.252  -1.741
   35    HA   LYS   5           HA       LYS   5 -16.227   4.423  -3.400
   36   1HB   LYS   5          1HB       LYS   5 -16.796   5.467  -0.545
   37   2HB   LYS   5          2HB       LYS   5 -15.405   5.844  -1.543
   38   1HG   LYS   5          1HG       LYS   5 -17.137   6.875  -3.267
   39   2HG   LYS   5          2HG       LYS   5 -18.309   6.755  -1.964
   40   1HD   LYS   5          1HD       LYS   5 -16.530   8.066  -0.491
   41   2HD   LYS   5          2HD       LYS   5 -15.678   8.390  -1.983
   42   1HE   LYS   5          1HE       LYS   5 -18.526   9.310  -1.190
   43   2HE   LYS   5          2HE       LYS   5 -17.087  10.319  -1.292
   44   1HZ   LYS   5          1HZ       LYS   5 -17.100   9.529  -3.826
   45   2HZ   LYS   5          2HZ       LYS   5 -18.674   9.120  -3.527
   46   3HZ   LYS   5          3HZ       LYS   5 -18.202  10.684  -3.389
   47    H    GLY   6           H        GLY   6 -16.307   1.943  -3.244
   48   1HA   GLY   6          1HA       GLY   6 -15.377   0.814  -0.542
   49   2HA   GLY   6          2HA       GLY   6 -16.587   0.146  -1.591
   50    H    ILE   7           H        ILE   7 -12.802  -1.051  -2.569
   51    HA   ILE   7           HA       ILE   7 -13.201   1.181  -0.474
   52    HB   ILE   7           HB       ILE   7 -10.683  -0.531  -1.022
   53   1HG1  ILE   7          1HG1      ILE   7 -12.379  -1.999  -0.043
   54   2HG1  ILE   7          2HG1      ILE   7 -11.116  -1.679   1.111
   55   1HG2  ILE   7          1HG2      ILE   7 -11.269   1.529   1.225
   56   2HG2  ILE   7          2HG2      ILE   7  -9.878   0.420   1.199
   57   3HG2  ILE   7          3HG2      ILE   7 -10.030   1.658  -0.044
   58   1HD1  ILE   7          1HD1      ILE   7 -12.666  -0.045   2.346
   59   2HD1  ILE   7          2HD1      ILE   7 -13.953  -0.427   1.174
   60   3HD1  ILE   7          3HD1      ILE   7 -13.321  -1.692   2.246
   61    H    THR   8           H        THR   8 -12.590   3.217  -0.958
   62    HA   THR   8           HA       THR   8 -11.126   3.826  -3.600
   63    HB   THR   8           HB       THR   8 -12.772   5.671  -1.765
   64    HG1  THR   8           HG1      THR   8 -13.601   3.838  -3.250
   65   1HG2  THR   8          1HG2      THR   8 -11.675   6.157  -4.633
   66   2HG2  THR   8          2HG2      THR   8 -12.777   7.233  -3.748
   67   3HG2  THR   8          3HG2      THR   8 -11.117   6.997  -3.161
   68    H    GLN   9           H        GLN   9  -9.026   4.006  -3.349
   69    HA   GLN   9           HA       GLN   9  -6.853   4.858  -2.705
   70   1HB   GLN   9          1HB       GLN   9  -8.253   6.976  -1.850
   71   2HB   GLN   9          2HB       GLN   9  -8.017   6.295  -0.260
   72   1HG   GLN   9          1HG       GLN   9  -5.835   7.160  -2.283
   73   2HG   GLN   9          2HG       GLN   9  -6.302   8.036  -0.850
   74   1HE2  GLN   9          2HE2      GLN   9  -5.733   6.984   1.255
   75   2HE2  GLN   9          1HE2      GLN   9  -4.268   5.872   1.252
   76    H    GLY  10           H        GLY  10  -5.489   2.962  -0.910
   77   1HA   GLY  10          1HA       GLY  10  -5.895   3.063  -3.398
   78   2HA   GLY  10          2HA       GLY  10  -5.529   1.477  -2.808
   79    HA   PRO  11           HA       PRO  11  -9.897   1.379  -5.165
   80   1HB   PRO  11          1HB       PRO  11  -7.984   0.420  -7.360
   81   2HB   PRO  11          2HB       PRO  11  -9.562   1.217  -7.521
   82   1HG   PRO  11          1HG       PRO  11  -7.307   2.688  -7.845
   83   2HG   PRO  11          2HG       PRO  11  -8.629   3.371  -6.867
   84   1HD   PRO  11          1HD       PRO  11  -6.078   1.997  -5.835
   85   2HD   PRO  11          2HD       PRO  11  -6.856   3.515  -5.297
   86    H    ASN  12           H        ASN  12 -10.199  -0.092  -3.677
   87    HA   ASN  12           HA       ASN  12 -10.455  -2.169  -2.475
   88   1HB   ASN  12          1HB       ASN  12 -11.467  -2.847  -4.794
   89   2HB   ASN  12          2HB       ASN  12  -9.924  -3.578  -5.185
   90   1HD2  ASN  12          2HD2      ASN  12  -9.391  -5.511  -3.962
   91   2HD2  ASN  12          1HD2      ASN  12 -10.727  -6.401  -3.067
   92    H    GLU  13           H        GLU  13  -8.160  -0.950  -2.074
   93    HA   GLU  13           HA       GLU  13  -5.771  -0.942  -1.867
   94   1HB   GLU  13          1HB       GLU  13  -5.007  -2.586  -0.214
   95   2HB   GLU  13          2HB       GLU  13  -6.591  -2.000   0.221
   96   1HG   GLU  13          1HG       GLU  13  -7.643  -4.141  -0.589
   97   2HG   GLU  13          2HG       GLU  13  -6.073  -4.757  -1.101
   98    HE2  GLU  13           HE2      GLU  13  -5.200  -5.804   2.021
   99    H    SER  14           H        SER  14  -6.507  -2.017  -4.449
  100    HA   SER  14           HA       SER  14  -4.779  -4.181  -5.221
  101   1HB   SER  14          1HB       SER  14  -5.801  -1.918  -7.082
  102   2HB   SER  14          2HB       SER  14  -5.244  -3.514  -7.563
  103    HG   SER  14           HG       SER  14  -7.595  -2.750  -6.203
  104    HA   PRO  15           HA       PRO  15  -0.962  -1.329  -6.249
  105   1HB   PRO  15          1HB       PRO  15  -0.993   1.364  -5.649
  106   2HB   PRO  15          2HB       PRO  15  -1.581   0.733  -7.195
  107   1HG   PRO  15          1HG       PRO  15  -3.279   1.421  -4.720
  108   2HG   PRO  15          2HG       PRO  15  -3.516   1.990  -6.367
  109   1HD   PRO  15          1HD       PRO  15  -4.914  -0.163  -5.424
  110   2HD   PRO  15          2HD       PRO  15  -4.346  -0.149  -7.118
  111    H    SER  16           H        SER  16  -2.750   0.035  -3.449
  112    HA   SER  16           HA       SER  16  -0.593   0.368  -1.704
  113   1HB   SER  16          1HB       SER  16  -3.025   1.141  -1.356
  114   2HB   SER  16          2HB       SER  16  -3.450  -0.482  -0.806
  115    HG   SER  16           HG       SER  16  -1.915  -0.207   0.924
  116    H    ALA  17           H        ALA  17  -2.497  -2.752  -1.698
  117    HA   ALA  17           HA       ALA  17  -0.815  -3.983   0.431
  118   1HB   ALA  17          1HB       ALA  17  -3.169  -4.710  -0.169
  119   2HB   ALA  17          2HB       ALA  17  -2.617  -5.254  -1.772
  120   3HB   ALA  17          3HB       ALA  17  -2.043  -6.069  -0.293
  121    H    PHE  18           H        PHE  18  -0.276  -3.710  -3.024
  122    HA   PHE  18           HA       PHE  18   2.154  -5.559  -2.965
  123   1HB   PHE  18          1HB       PHE  18   0.607  -5.335  -5.038
  124   2HB   PHE  18          2HB       PHE  18   1.087  -3.665  -5.181
  125    HD1  PHE  18           HD1      PHE  18   2.440  -7.200  -5.141
  126    HD2  PHE  18           HD2      PHE  18   3.150  -3.140  -6.375
  127    HE1  PHE  18           HE1      PHE  18   4.403  -7.928  -6.439
  128    HE2  PHE  18           HE2      PHE  18   5.097  -3.888  -7.682
  129    HZ   PHE  18           HZ       PHE  18   5.736  -6.276  -7.704
  130    H    LEU  19           H        LEU  19   1.514  -2.042  -3.211
  131    HA   LEU  19           HA       LEU  19   4.341  -1.200  -2.904
  132   1HB   LEU  19          1HB       LEU  19   1.582   0.124  -2.636
  133   2HB   LEU  19          2HB       LEU  19   2.876   0.932  -1.843
  134    HG   LEU  19           HG       LEU  19   2.453   1.876  -4.026
  135   1HD1  LEU  19          1HD1      LEU  19   4.786   2.030  -3.065
  136   2HD1  LEU  19          2HD1      LEU  19   5.267   0.601  -4.008
  137   3HD1  LEU  19          3HD1      LEU  19   4.768   2.086  -4.838
  138   1HD2  LEU  19          1HD2      LEU  19   1.732  -0.148  -5.315
  139   2HD2  LEU  19          2HD2      LEU  19   3.000   0.751  -6.170
  140   3HD2  LEU  19          3HD2      LEU  19   3.399  -0.760  -5.320
  141    H    GLU  20           H        GLU  20   1.913  -1.871  -0.257
  142    HA   GLU  20           HA       GLU  20   3.830  -1.328   1.822
  143   1HB   GLU  20          1HB       GLU  20   1.305  -3.137   1.660
  144   2HB   GLU  20          2HB       GLU  20   2.136  -2.886   3.177
  145   1HG   GLU  20          1HG       GLU  20   1.598  -0.514   3.278
  146   2HG   GLU  20          2HG       GLU  20   1.081  -0.462   1.596
  147    HE2  GLU  20           HE2      GLU  20  -1.391  -1.884   4.394
  148    H    ARG  21           H        ARG  21   3.183  -4.548   0.266
  149    HA   ARG  21           HA       ARG  21   5.276  -5.991   1.627
  150   1HB   ARG  21          1HB       ARG  21   4.046  -6.185  -1.198
  151   2HB   ARG  21          2HB       ARG  21   5.339  -7.257  -0.711
  152   1HG   ARG  21          1HG       ARG  21   4.065  -8.170   1.185
  153   2HG   ARG  21          2HG       ARG  21   2.731  -7.069   0.936
  154   1HD   ARG  21          1HD       ARG  21   3.656  -9.108  -1.213
  155   2HD   ARG  21          2HD       ARG  21   2.475  -9.502   0.052
  156    HE   ARG  21           HE       ARG  21   1.489  -7.067  -1.121
  157   1HH1  ARG  21          1HH1      ARG  21   2.009 -10.352  -2.173
  158   2HH1  ARG  21          2HH1      ARG  21   0.652 -10.262  -3.397
  159   1HH2  ARG  21          1HH2      ARG  21  -0.007  -6.993  -2.529
  160   2HH2  ARG  21          2HH2      ARG  21  -0.450  -8.433  -3.562
  161    H    LEU  22           H        LEU  22   5.561  -3.761  -1.217
  162    HA   LEU  22           HA       LEU  22   8.453  -3.991  -1.434
  163   1HB   LEU  22          1HB       LEU  22   6.484  -1.782  -2.296
  164   2HB   LEU  22          2HB       LEU  22   8.178  -1.751  -2.701
  165    HG   LEU  22           HG       LEU  22   6.261  -3.967  -3.645
  166   1HD1  LEU  22          1HD1      LEU  22   7.359  -1.473  -5.114
  167   2HD1  LEU  22          2HD1      LEU  22   6.473  -2.806  -5.890
  168   3HD1  LEU  22          3HD1      LEU  22   5.659  -1.797  -4.687
  169   1HD2  LEU  22          1HD2      LEU  22   9.185  -3.349  -4.470
  170   2HD2  LEU  22          2HD2      LEU  22   8.629  -4.785  -3.577
  171   3HD2  LEU  22          3HD2      LEU  22   8.121  -4.543  -5.253
  172    H    LYS  23           H        LYS  23   6.362  -1.784   0.563
  173    HA   LYS  23           HA       LYS  23   8.710  -0.040   1.318
  174   1HB   LYS  23          1HB       LYS  23   5.799  -0.260   2.332
  175   2HB   LYS  23          2HB       LYS  23   6.959   0.784   3.122
  176   1HG   LYS  23          1HG       LYS  23   7.418   2.042   1.028
  177   2HG   LYS  23          2HG       LYS  23   6.287   1.066   0.123
  178   1HD   LYS  23          1HD       LYS  23   5.539   2.825   2.563
  179   2HD   LYS  23          2HD       LYS  23   5.459   3.357   0.889
  180   1HE   LYS  23          1HE       LYS  23   3.779   1.494   0.366
  181   2HE   LYS  23          2HE       LYS  23   3.809   1.006   2.062
  182   1HZ   LYS  23          1HZ       LYS  23   3.063   3.324   2.668
  183   2HZ   LYS  23          2HZ       LYS  23   2.988   3.747   1.090
  184   3HZ   LYS  23          3HZ       LYS  23   1.953   2.616   1.682
  185    H    GLU  24           H        GLU  24   7.133  -2.853   2.975
  186    HA   GLU  24           HA       GLU  24   8.881  -2.678   5.318
  187   1HB   GLU  24          1HB       GLU  24   8.089  -4.904   5.885
  188   2HB   GLU  24          2HB       GLU  24   6.741  -3.919   5.383
  189   1HG   GLU  24          1HG       GLU  24   6.811  -5.107   3.085
  190   2HG   GLU  24          2HG       GLU  24   8.073  -6.160   3.704
  191    HE2  GLU  24           HE2      GLU  24   4.273  -6.687   4.754
  192    H    ALA  25           H        ALA  25   9.271  -4.373   2.156
  193    HA   ALA  25           HA       ALA  25  11.893  -5.469   2.691
  194   1HB   ALA  25          1HB       ALA  25  10.442  -6.142   0.732
  195   2HB   ALA  25          2HB       ALA  25  10.626  -4.525   0.013
  196   3HB   ALA  25          3HB       ALA  25  12.032  -5.599   0.169
  197    H    TYR  26           H        TYR  26  11.172  -2.375   0.857
  198    HA   TYR  26           HA       TYR  26  13.821  -1.343   0.880
  199   1HB   TYR  26          1HB       TYR  26  11.218   0.304   1.146
  200   2HB   TYR  26          2HB       TYR  26  12.735   0.912   0.530
  201    HD1  TYR  26           HD1      TYR  26  12.999  -1.854  -1.367
  202    HD2  TYR  26           HD2      TYR  26  10.157   1.322  -0.799
  203    HE1  TYR  26           HE1      TYR  26  12.186  -2.175  -3.650
  204    HE2  TYR  26           HE2      TYR  26   9.344   0.985  -3.097
  205    HH   TYR  26           HH       TYR  26  10.777  -1.463  -5.226
  206    H    ARG  27           H        ARG  27  11.440  -0.945   3.553
  207    HA   ARG  27           HA       ARG  27  13.332   0.665   5.223
  208   1HB   ARG  27          1HB       ARG  27  10.728   0.536   5.412
  209   2HB   ARG  27          2HB       ARG  27  10.909  -1.068   6.086
  210   1HG   ARG  27          1HG       ARG  27  10.547   0.574   7.876
  211   2HG   ARG  27          2HG       ARG  27  12.136  -0.124   8.061
  212   1HD   ARG  27          1HD       ARG  27  12.255   2.256   8.534
  213   2HD   ARG  27          2HD       ARG  27  13.222   1.947   7.134
  214    HE   ARG  27           HE       ARG  27  10.454   3.294   7.204
  215   1HH1  ARG  27          1HH1      ARG  27  13.362   2.701   5.297
  216   2HH1  ARG  27          2HH1      ARG  27  12.754   3.804   3.980
  217   1HH2  ARG  27          1HH2      ARG  27   9.864   4.532   5.676
  218   2HH2  ARG  27          2HH2      ARG  27  10.907   4.804   4.208
  219    H    ARG  28           H        ARG  28  13.178  -2.829   4.631
  220    HA   ARG  28           HA       ARG  28  14.859  -3.568   6.907
  221   1HB   ARG  28          1HB       ARG  28  13.403  -5.217   5.707
  222   2HB   ARG  28          2HB       ARG  28  14.207  -4.887   4.184
  223   1HG   ARG  28          1HG       ARG  28  14.927  -7.058   5.074
  224   2HG   ARG  28          2HG       ARG  28  16.283  -5.965   4.929
  225   1HD   ARG  28          1HD       ARG  28  15.957  -5.462   7.538
  226   2HD   ARG  28          2HD       ARG  28  14.813  -6.779   7.524
  227    HE   ARG  28           HE       ARG  28  16.619  -8.370   7.314
  228   1HH1  ARG  28          1HH1      ARG  28  17.910  -5.159   6.638
  229   2HH1  ARG  28          2HH1      ARG  28  19.618  -5.776   6.816
  230   1HH2  ARG  28          1HH2      ARG  28  18.585  -8.985   7.476
  231   2HH2  ARG  28          2HH2      ARG  28  19.965  -7.821   7.247
  232    H    TYR  29           H        TYR  29  15.484  -2.359   3.640
  233    HA   TYR  29           HA       TYR  29  18.486  -2.091   4.324
  234   1HB   TYR  29          1HB       TYR  29  18.794  -2.219   1.755
  235   2HB   TYR  29          2HB       TYR  29  18.528  -3.687   2.631
  236    HD1  TYR  29           HD1      TYR  29  17.032  -1.259   0.208
  237    HD2  TYR  29           HD2      TYR  29  16.597  -5.099   2.092
  238    HE1  TYR  29           HE1      TYR  29  15.353  -1.904  -1.468
  239    HE2  TYR  29           HE2      TYR  29  14.904  -5.722   0.441
  240    HH   TYR  29           HH       TYR  29  13.915  -5.152  -1.495
  241    H    THR  30           H        THR  30  16.417  -0.113   4.922
  242    HA   THR  30           HA       THR  30  18.210   2.148   4.283
  243    HB   THR  30           HB       THR  30  15.395   2.468   3.174
  244    HG1  THR  30           HG1      THR  30  17.446   1.350   2.042
  245   1HG2  THR  30          1HG2      THR  30  17.821   4.396   3.035
  246   2HG2  THR  30          2HG2      THR  30  16.266   4.647   2.216
  247   3HG2  THR  30          3HG2      THR  30  16.341   4.676   3.991
  248    HA   PRO  31           HA       PRO  31  15.767   2.606   8.285
  249   1HB   PRO  31          1HB       PRO  31  17.719   3.701   9.833
  250   2HB   PRO  31          2HB       PRO  31  17.870   2.056   9.195
  251   1HG   PRO  31          1HG       PRO  31  19.107   4.621   8.041
  252   2HG   PRO  31          2HG       PRO  31  19.943   3.093   8.409
  253   1HD   PRO  31          1HD       PRO  31  18.943   3.738   5.838
  254   2HD   PRO  31          2HD       PRO  31  19.076   2.042   6.410
  255    H    TYR  32           H        TYR  32  14.653   4.111   6.645
  256    HA   TYR  32           HA       TYR  32  13.261   6.063   6.352
  257   1HB   TYR  32          1HB       TYR  32  14.327   6.933   9.129
  258   2HB   TYR  32          2HB       TYR  32  13.125   7.794   8.231
  259    HD1  TYR  32           HD1      TYR  32  10.818   6.805   7.833
  260    HD2  TYR  32           HD2      TYR  32  13.704   4.869  10.365
  261    HE1  TYR  32           HE1      TYR  32   9.031   5.421   8.831
  262    HE2  TYR  32           HE2      TYR  32  11.913   3.501  11.353
  263    HH   TYR  32           HH       TYR  32   9.700   3.129  11.439
  Start of MODEL    2
    1   1H    CYS   1          1H        CYS   1 -19.345 -16.820  -2.370
    2   2H    CYS   1          2H        CYS   1 -18.868 -18.255  -1.752
    3    HA   CYS   1           HA       CYS   1 -16.530 -17.502  -1.732
    4   1HB   CYS   1          1HB       CYS   1 -16.824 -15.927  -3.650
    5   2HB   CYS   1          2HB       CYS   1 -17.853 -14.867  -2.673
    6    HG   CYS   1           HG       CYS   1 -16.133 -14.045  -1.038
    7    H    ALA   2           H        ALA   2 -16.564 -17.887   0.425
    8    HA   ALA   2           HA       ALA   2 -18.442 -16.821   2.374
    9   1HB   ALA   2          1HB       ALA   2 -17.115 -18.979   2.576
   10   2HB   ALA   2          2HB       ALA   2 -15.608 -18.046   2.795
   11   3HB   ALA   2          3HB       ALA   2 -16.905 -17.963   4.007
   12    H    LYS   3           H        LYS   3 -15.682 -15.117   1.237
   13    HA   LYS   3           HA       LYS   3 -16.319 -12.882   2.855
   14   1HB   LYS   3          1HB       LYS   3 -14.477 -12.445   4.272
   15   2HB   LYS   3          2HB       LYS   3 -14.896 -14.092   4.614
   16   1HG   LYS   3          1HG       LYS   3 -12.465 -13.127   2.972
   17   2HG   LYS   3          2HG       LYS   3 -12.427 -13.582   4.643
   18   1HD   LYS   3          1HD       LYS   3 -12.498 -15.861   4.288
   19   2HD   LYS   3          2HD       LYS   3 -13.494 -15.805   2.870
   20   1HE   LYS   3          1HE       LYS   3 -10.520 -14.931   2.879
   21   2HE   LYS   3          2HE       LYS   3 -11.046 -16.567   2.502
   22   1HZ   LYS   3          1HZ       LYS   3 -12.365 -14.337   1.002
   23   2HZ   LYS   3          2HZ       LYS   3 -10.828 -14.752   0.537
   24   3HZ   LYS   3          3HZ       LYS   3 -12.062 -15.856   0.481
   25    H    VAL   4           H        VAL   4 -16.308 -11.409   1.300
   26    HA   VAL   4           HA       VAL   4 -14.325 -11.546  -1.018
   27    HB   VAL   4           HB       VAL   4 -16.842 -11.468  -1.313
   28   1HG1  VAL   4          1HG1      VAL   4 -17.527  -9.762   0.432
   29   2HG1  VAL   4          2HG1      VAL   4 -16.730  -8.485  -0.511
   30   3HG1  VAL   4          3HG1      VAL   4 -18.124  -9.358  -1.185
   31   1HG2  VAL   4          1HG2      VAL   4 -15.314 -10.874  -3.180
   32   2HG2  VAL   4          2HG2      VAL   4 -16.839  -9.975  -3.262
   33   3HG2  VAL   4          3HG2      VAL   4 -15.363  -9.162  -2.700
   34    H    LYS   5           H        LYS   5 -12.917 -10.899   1.120
   35    HA   LYS   5           HA       LYS   5 -11.547  -8.514   0.144
   36   1HB   LYS   5          1HB       LYS   5 -13.187  -7.282   1.563
   37   2HB   LYS   5          2HB       LYS   5 -12.822  -8.285   2.948
   38   1HG   LYS   5          1HG       LYS   5 -11.814  -6.080   3.200
   39   2HG   LYS   5          2HG       LYS   5 -10.564  -7.310   3.180
   40   1HD   LYS   5          1HD       LYS   5  -9.962  -6.747   0.813
   41   2HD   LYS   5          2HD       LYS   5 -11.317  -5.622   0.696
   42   1HE   LYS   5          1HE       LYS   5 -10.306  -4.174   2.517
   43   2HE   LYS   5          2HE       LYS   5  -8.960  -5.303   2.708
   44   1HZ   LYS   5          1HZ       LYS   5  -9.564  -4.153  -0.009
   45   2HZ   LYS   5          2HZ       LYS   5  -8.607  -3.302   1.050
   46   3HZ   LYS   5          3HZ       LYS   5  -8.154  -4.787   0.480
   47    H    GLY   6           H        GLY   6 -10.437 -10.541  -0.187
   48   1HA   GLY   6          1HA       GLY   6  -8.584 -11.617   1.915
   49   2HA   GLY   6          2HA       GLY   6 -10.117 -12.473   1.843
   50    H    ILE   7           H        ILE   7  -7.552 -11.377  -0.351
   51    HA   ILE   7           HA       ILE   7  -7.653 -14.085  -1.826
   52    HB   ILE   7           HB       ILE   7  -6.721 -11.351  -2.924
   53   1HG1  ILE   7          1HG1      ILE   7  -9.132 -11.315  -2.922
   54   2HG1  ILE   7          2HG1      ILE   7  -8.582 -11.519  -4.557
   55   1HG2  ILE   7          1HG2      ILE   7  -6.824 -14.121  -4.328
   56   2HG2  ILE   7          2HG2      ILE   7  -6.496 -12.575  -5.143
   57   3HG2  ILE   7          3HG2      ILE   7  -5.358 -13.188  -3.946
   58   1HD1  ILE   7          1HD1      ILE   7  -9.224 -14.004  -4.459
   59   2HD1  ILE   7          2HD1      ILE   7  -9.806 -13.757  -2.792
   60   3HD1  ILE   7          3HD1      ILE   7 -10.593 -12.916  -4.141
   61    H    THR   8           H        THR   8  -5.860 -15.265  -1.671
   62    HA   THR   8           HA       THR   8  -4.162 -15.067   0.508
   63    HB   THR   8           HB       THR   8  -3.506 -16.537  -2.138
   64    HG1  THR   8           HG1      THR   8  -4.664 -18.225  -0.758
   65   1HG2  THR   8          1HG2      THR   8  -2.915 -17.370   0.802
   66   2HG2  THR   8          2HG2      THR   8  -2.591 -18.372  -0.639
   67   3HG2  THR   8          3HG2      THR   8  -1.691 -16.870  -0.387
   68    H    GLN   9           H        GLN   9  -3.345 -13.219  -2.336
   69    HA   GLN   9           HA       GLN   9  -1.140 -12.102  -0.995
   70   1HB   GLN   9          1HB       GLN   9  -0.503 -13.721  -3.566
   71   2HB   GLN   9          2HB       GLN   9   0.412 -12.288  -3.245
   72   1HG   GLN   9          1HG       GLN   9   0.336 -14.766  -1.436
   73   2HG   GLN   9          2HG       GLN   9   1.644 -14.247  -2.473
   74   1HE2  GLN   9          2HE2      GLN   9   0.214 -13.813   0.605
   75   2HE2  GLN   9          1HE2      GLN   9   1.507 -12.649   1.220
   76    H    GLY  10           H        GLY  10  -3.664 -11.311  -1.597
   77   1HA   GLY  10          1HA       GLY  10  -3.284  -8.942  -3.433
   78   2HA   GLY  10          2HA       GLY  10  -4.241 -10.275  -4.057
   79    HA   PRO  11           HA       PRO  11  -7.619  -8.594  -1.192
   80   1HB   PRO  11          1HB       PRO  11  -7.211  -7.505   1.298
   81   2HB   PRO  11          2HB       PRO  11  -6.997  -9.233   0.990
   82   1HG   PRO  11          1HG       PRO  11  -4.786  -7.080   0.992
   83   2HG   PRO  11          2HG       PRO  11  -4.836  -8.570   1.970
   84   1HD   PRO  11          1HD       PRO  11  -3.474  -8.549  -0.428
   85   2HD   PRO  11          2HD       PRO  11  -4.440  -9.971   0.052
   86    H    ASN  12           H        ASN  12  -7.050  -7.216  -3.104
   87    HA   ASN  12           HA       ASN  12  -7.242  -5.176  -4.369
   88   1HB   ASN  12          1HB       ASN  12  -7.828  -3.613  -1.782
   89   2HB   ASN  12          2HB       ASN  12  -8.045  -3.052  -3.409
   90   1HD2  ASN  12          2HD2      ASN  12  -9.680  -4.657  -4.711
   91   2HD2  ASN  12          1HD2      ASN  12 -11.202  -4.926  -3.712
   92    H    GLU  13           H        GLU  13  -4.967  -5.728  -4.534
   93    HA   GLU  13           HA       GLU  13  -3.012  -4.331  -2.780
   94   1HB   GLU  13          1HB       GLU  13  -1.395  -5.768  -3.873
   95   2HB   GLU  13          2HB       GLU  13  -2.804  -6.716  -3.528
   96   1HG   GLU  13          1HG       GLU  13  -3.461  -6.616  -5.999
   97   2HG   GLU  13          2HG       GLU  13  -2.058  -5.609  -6.331
   98    HE2  GLU  13           HE2      GLU  13  -1.265  -8.941  -7.298
   99    H    SER  14           H        SER  14  -4.114  -3.410  -5.945
  100    HA   SER  14           HA       SER  14  -1.834  -1.641  -6.647
  101   1HB   SER  14          1HB       SER  14  -3.497  -0.622  -8.231
  102   2HB   SER  14          2HB       SER  14  -3.408  -2.371  -8.369
  103    HG   SER  14           HG       SER  14  -5.567  -1.522  -8.355
  104    HA   PRO  15           HA       PRO  15  -3.859   2.029  -4.214
  105   1HB   PRO  15          1HB       PRO  15  -5.556   1.482  -2.051
  106   2HB   PRO  15          2HB       PRO  15  -6.105   1.844  -3.693
  107   1HG   PRO  15          1HG       PRO  15  -5.748  -0.921  -2.424
  108   2HG   PRO  15          2HG       PRO  15  -7.157  -0.309  -3.320
  109   1HD   PRO  15          1HD       PRO  15  -5.306  -1.876  -4.555
  110   2HD   PRO  15          2HD       PRO  15  -6.017  -0.503  -5.443
  111    H    SER  16           H        SER  16  -3.422  -0.879  -2.074
  112    HA   SER  16           HA       SER  16  -0.788  -0.243  -1.369
  113   1HB   SER  16          1HB       SER  16  -2.749   0.921   0.724
  114   2HB   SER  16          2HB       SER  16  -1.119   0.445   1.182
  115    HG   SER  16           HG       SER  16  -1.557   2.108  -1.068
  116    H    ALA  17           H        ALA  17  -1.055  -2.489  -1.876
  117    HA   ALA  17           HA       ALA  17  -0.473  -3.865   0.759
  118   1HB   ALA  17          1HB       ALA  17  -2.920  -4.578   0.107
  119   2HB   ALA  17          2HB       ALA  17  -2.198  -5.520  -1.221
  120   3HB   ALA  17          3HB       ALA  17  -1.767  -5.876   0.454
  121    H    PHE  18           H        PHE  18  -0.241  -4.114  -2.845
  122    HA   PHE  18           HA       PHE  18   2.353  -5.693  -2.659
  123   1HB   PHE  18          1HB       PHE  18   0.708  -5.787  -4.700
  124   2HB   PHE  18          2HB       PHE  18   1.211  -4.168  -5.101
  125    HD1  PHE  18           HD1      PHE  18   2.285  -7.734  -4.764
  126    HD2  PHE  18           HD2      PHE  18   3.532  -3.820  -6.041
  127    HE1  PHE  18           HE1      PHE  18   4.276  -8.708  -5.834
  128    HE2  PHE  18           HE2      PHE  18   5.513  -4.812  -7.114
  129    HZ   PHE  18           HZ       PHE  18   5.891  -7.252  -7.009
  130    H    LEU  19           H        LEU  19   1.376  -2.314  -3.218
  131    HA   LEU  19           HA       LEU  19   4.006  -1.002  -3.086
  132   1HB   LEU  19          1HB       LEU  19   1.161  -0.155  -2.203
  133   2HB   LEU  19          2HB       LEU  19   2.523   0.875  -1.954
  134    HG   LEU  19           HG       LEU  19   2.996   0.826  -4.486
  135   1HD1  LEU  19          1HD1      LEU  19   0.150  -0.412  -4.580
  136   2HD1  LEU  19          2HD1      LEU  19   0.966   0.341  -5.965
  137   3HD1  LEU  19          3HD1      LEU  19   1.642  -1.125  -5.251
  138   1HD2  LEU  19          1HD2      LEU  19   1.923   2.770  -3.307
  139   2HD2  LEU  19          2HD2      LEU  19   1.241   2.561  -4.928
  140   3HD2  LEU  19          3HD2      LEU  19   0.316   2.029  -3.509
  141    H    GLU  20           H        GLU  20   1.804  -1.756  -0.248
  142    HA   GLU  20           HA       GLU  20   3.781  -1.214   1.738
  143   1HB   GLU  20          1HB       GLU  20   1.274  -3.038   1.600
  144   2HB   GLU  20          2HB       GLU  20   2.157  -2.997   3.065
  145   1HG   GLU  20          1HG       GLU  20   1.806  -0.514   3.320
  146   2HG   GLU  20          2HG       GLU  20   0.934  -0.472   1.794
  147    HE2  GLU  20           HE2      GLU  20  -1.641  -0.494   4.116
  148    H    ARG  21           H        ARG  21   3.228  -4.506   0.241
  149    HA   ARG  21           HA       ARG  21   5.377  -5.823   1.600
  150   1HB   ARG  21          1HB       ARG  21   4.118  -6.132  -1.188
  151   2HB   ARG  21          2HB       ARG  21   5.521  -7.087  -0.790
  152   1HG   ARG  21          1HG       ARG  21   4.485  -8.150   1.135
  153   2HG   ARG  21          2HG       ARG  21   3.077  -7.115   1.091
  154   1HD   ARG  21          1HD       ARG  21   3.824  -9.035  -1.233
  155   2HD   ARG  21          2HD       ARG  21   2.823  -9.525   0.147
  156    HE   ARG  21           HE       ARG  21   1.646  -7.066  -0.807
  157   1HH1  ARG  21          1HH1      ARG  21   2.020 -10.366  -1.978
  158   2HH1  ARG  21          2HH1      ARG  21   0.555 -10.148  -3.072
  159   1HH2  ARG  21          1HH2      ARG  21   0.064  -6.947  -2.117
  160   2HH2  ARG  21          2HH2      ARG  21  -0.380  -8.326  -3.239
  161    H    LEU  22           H        LEU  22   5.675  -3.633  -1.271
  162    HA   LEU  22           HA       LEU  22   8.581  -3.773  -1.380
  163   1HB   LEU  22          1HB       LEU  22   6.621  -1.581  -2.309
  164   2HB   LEU  22          2HB       LEU  22   8.321  -1.585  -2.695
  165    HG   LEU  22           HG       LEU  22   6.358  -3.778  -3.611
  166   1HD1  LEU  22          1HD1      LEU  22   5.811  -1.579  -4.653
  167   2HD1  LEU  22          2HD1      LEU  22   7.504  -1.364  -5.172
  168   3HD1  LEU  22          3HD1      LEU  22   6.508  -2.675  -5.857
  169   1HD2  LEU  22          1HD2      LEU  22   9.284  -3.240  -4.478
  170   2HD2  LEU  22          2HD2      LEU  22   8.716  -4.630  -3.523
  171   3HD2  LEU  22          3HD2      LEU  22   8.181  -4.444  -5.198
  172    H    LYS  23           H        LYS  23   6.346  -1.691   0.574
  173    HA   LYS  23           HA       LYS  23   8.509   0.182   1.493
  174   1HB   LYS  23          1HB       LYS  23   5.765  -0.516   2.750
  175   2HB   LYS  23          2HB       LYS  23   6.812   0.729   3.369
  176   1HG   LYS  23          1HG       LYS  23   5.505   0.809   0.587
  177   2HG   LYS  23          2HG       LYS  23   4.919   1.613   2.028
  178   1HD   LYS  23          1HD       LYS  23   7.116   2.972   2.117
  179   2HD   LYS  23          2HD       LYS  23   7.638   2.145   0.665
  180   1HE   LYS  23          1HE       LYS  23   6.835   4.229  -0.138
  181   2HE   LYS  23          2HE       LYS  23   5.607   3.065  -0.609
  182   1HZ   LYS  23          1HZ       LYS  23   5.449   4.844   1.838
  183   2HZ   LYS  23          2HZ       LYS  23   4.571   5.069   0.466
  184   3HZ   LYS  23          3HZ       LYS  23   4.294   3.761   1.423
  185    H    GLU  24           H        GLU  24   7.136  -2.820   2.967
  186    HA   GLU  24           HA       GLU  24   8.958  -2.707   5.269
  187   1HB   GLU  24          1HB       GLU  24   8.108  -4.953   5.833
  188   2HB   GLU  24          2HB       GLU  24   6.833  -3.832   5.486
  189   1HG   GLU  24          1HG       GLU  24   5.970  -5.692   4.456
  190   2HG   GLU  24          2HG       GLU  24   6.727  -4.924   3.084
  191    HE2  GLU  24           HE2      GLU  24   7.389  -8.329   2.690
  192    H    ALA  25           H        ALA  25   9.200  -4.414   2.086
  193    HA   ALA  25           HA       ALA  25  11.760  -5.647   2.550
  194   1HB   ALA  25          1HB       ALA  25  10.246  -6.134   0.576
  195   2HB   ALA  25          2HB       ALA  25  10.542  -4.501  -0.069
  196   3HB   ALA  25          3HB       ALA  25  11.865  -5.681   0.014
  197    H    TYR  26           H        TYR  26  11.214  -2.416   0.923
  198    HA   TYR  26           HA       TYR  26  13.972  -1.598   1.179
  199   1HB   TYR  26          1HB       TYR  26  11.351  -0.003   0.754
  200   2HB   TYR  26          2HB       TYR  26  12.922   0.738   0.639
  201    HD1  TYR  26           HD1      TYR  26  14.677  -0.851  -0.951
  202    HD2  TYR  26           HD2      TYR  26  10.444  -0.289  -1.445
  203    HE1  TYR  26           HE1      TYR  26  14.887  -1.327  -3.354
  204    HE2  TYR  26           HE2      TYR  26  10.665  -0.781  -3.839
  205    HH   TYR  26           HH       TYR  26  12.065  -1.263  -5.503
  206    H    ARG  27           H        ARG  27  11.706  -1.696   3.751
  207    HA   ARG  27           HA       ARG  27  13.634   0.055   5.419
  208   1HB   ARG  27          1HB       ARG  27  10.919   0.450   5.328
  209   2HB   ARG  27          2HB       ARG  27  10.888  -0.922   6.394
  210   1HG   ARG  27          1HG       ARG  27  10.864   1.031   7.789
  211   2HG   ARG  27          2HG       ARG  27  12.461   0.356   7.986
  212   1HD   ARG  27          1HD       ARG  27  12.687   2.762   7.816
  213   2HD   ARG  27          2HD       ARG  27  13.413   2.119   6.376
  214    HE   ARG  27           HE       ARG  27  10.752   3.625   6.598
  215   1HH1  ARG  27          1HH1      ARG  27  12.935   2.025   4.371
  216   2HH1  ARG  27          2HH1      ARG  27  12.297   2.994   2.970
  217   1HH2  ARG  27          1HH2      ARG  27  10.047   4.664   4.957
  218   2HH2  ARG  27          2HH2      ARG  27  10.732   4.382   3.296
  219    H    ARG  28           H        ARG  28  14.825  -2.089   4.715
  220    HA   ARG  28           HA       ARG  28  15.425  -3.574   7.065
  221   1HB   ARG  28          1HB       ARG  28  13.226  -4.769   6.583
  222   2HB   ARG  28          2HB       ARG  28  13.783  -5.215   4.983
  223   1HG   ARG  28          1HG       ARG  28  15.530  -6.729   5.960
  224   2HG   ARG  28          2HG       ARG  28  15.229  -6.114   7.570
  225   1HD   ARG  28          1HD       ARG  28  14.249  -8.321   7.367
  226   2HD   ARG  28          2HD       ARG  28  12.975  -7.173   7.650
  227    HE   ARG  28           HE       ARG  28  13.596  -8.625   5.005
  228   1HH1  ARG  28          1HH1      ARG  28  11.426  -6.449   6.651
  229   2HH1  ARG  28          2HH1      ARG  28  10.109  -6.763   5.408
  230   1HH2  ARG  28          1HH2      ARG  28  12.044  -8.908   3.622
  231   2HH2  ARG  28          2HH2      ARG  28  10.447  -8.035   3.869
  232    H    TYR  29           H        TYR  29  15.598  -3.738   3.454
  233    HA   TYR  29           HA       TYR  29  17.959  -5.303   3.165
  234   1HB   TYR  29          1HB       TYR  29  18.099  -4.421   1.002
  235   2HB   TYR  29          2HB       TYR  29  16.408  -4.379   1.350
  236    HD1  TYR  29           HD1      TYR  29  16.357  -1.524   2.853
  237    HD2  TYR  29           HD2      TYR  29  18.139  -2.938  -0.808
  238    HE1  TYR  29           HE1      TYR  29  16.261   0.726   1.934
  239    HE2  TYR  29           HE2      TYR  29  18.000  -0.677  -1.725
  240    HH   TYR  29           HH       TYR  29  17.360   1.421  -1.377
  241    H    THR  30           H        THR  30  18.059  -2.044   4.401
  242    HA   THR  30           HA       THR  30  21.091  -2.259   4.703
  243    HB   THR  30           HB       THR  30  20.562  -0.095   3.761
  244    HG1  THR  30           HG1      THR  30  20.981   0.728   6.360
  245   1HG2  THR  30          1HG2      THR  30  18.801   0.542   6.251
  246   2HG2  THR  30          2HG2      THR  30  19.312   1.702   5.001
  247   3HG2  THR  30          3HG2      THR  30  18.202   0.384   4.583
  248    HA   PRO  31           HA       PRO  31  19.628  -3.650   8.889
  249   1HB   PRO  31          1HB       PRO  31  22.083  -3.861  10.199
  250   2HB   PRO  31          2HB       PRO  31  21.539  -5.001   8.961
  251   1HG   PRO  31          1HG       PRO  31  23.400  -2.594   8.572
  252   2HG   PRO  31          2HG       PRO  31  23.671  -4.269   8.044
  253   1HD   PRO  31          1HD       PRO  31  22.679  -2.356   6.325
  254   2HD   PRO  31          2HD       PRO  31  22.098  -4.049   6.214
  255    H    TYR  32           H        TYR  32  21.666  -0.817   8.587
  256    HA   TYR  32           HA       TYR  32  20.072   0.549  10.840
  257   1HB   TYR  32          1HB       TYR  32  23.020   1.137  10.093
  258   2HB   TYR  32          2HB       TYR  32  22.057   2.106  11.171
  259    HD1  TYR  32           HD1      TYR  32  21.265   1.164  13.419
  260    HD2  TYR  32           HD2      TYR  32  24.037  -0.966  10.914
  261    HE1  TYR  32           HE1      TYR  32  21.922  -0.240  15.328
  262    HE2  TYR  32           HE2      TYR  32  24.685  -2.365  12.839
  263    HH   TYR  32           HH       TYR  32  23.198  -1.923  16.027
  Start of MODEL    3
    1   1H    CYS   1          1H        CYS   1   0.321  -3.420  -6.859
    2   2H    CYS   1          2H        CYS   1   0.952  -2.234  -7.783
    3    HA   CYS   1           HA       CYS   1  -1.135  -4.107  -8.728
    4   1HB   CYS   1          1HB       CYS   1   0.588  -1.999 -10.197
    5   2HB   CYS   1          2HB       CYS   1  -0.487  -3.159 -10.986
    6    HG   CYS   1           HG       CYS   1  -1.228  -0.729  -8.839
    7    H    ALA   2           H        ALA   2  -0.370  -6.123  -8.994
    8    HA   ALA   2           HA       ALA   2   2.628  -6.704  -8.780
    9   1HB   ALA   2          1HB       ALA   2   0.998  -7.880  -7.289
   10   2HB   ALA   2          2HB       ALA   2   0.154  -8.571  -8.692
   11   3HB   ALA   2          3HB       ALA   2   1.835  -9.029  -8.343
   12    H    LYS   3           H        LYS   3   2.844  -5.670 -10.882
   13    HA   LYS   3           HA       LYS   3   3.658  -5.778 -13.124
   14   1HB   LYS   3          1HB       LYS   3   4.640  -8.004 -12.360
   15   2HB   LYS   3          2HB       LYS   3   3.196  -8.838 -12.892
   16   1HG   LYS   3          1HG       LYS   3   3.636  -8.003 -15.280
   17   2HG   LYS   3          2HG       LYS   3   5.098  -7.200 -14.710
   18   1HD   LYS   3          1HD       LYS   3   6.042  -9.432 -13.960
   19   2HD   LYS   3          2HD       LYS   3   4.564 -10.242 -14.487
   20   1HE   LYS   3          1HE       LYS   3   4.985  -9.461 -16.888
   21   2HE   LYS   3          2HE       LYS   3   6.468  -8.652 -16.367
   22   1HZ   LYS   3          1HZ       LYS   3   5.956 -11.622 -16.065
   23   2HZ   LYS   3          2HZ       LYS   3   6.945 -10.961 -17.200
   24   3HZ   LYS   3          3HZ       LYS   3   7.336 -10.869 -15.605
   25    H    VAL   4           H        VAL   4   1.134  -8.227 -13.243
   26    HA   VAL   4           HA       VAL   4  -0.756  -6.312 -14.645
   27    HB   VAL   4           HB       VAL   4  -0.211  -9.102 -15.844
   28   1HG1  VAL   4          1HG1      VAL   4  -2.674  -8.583 -15.940
   29   2HG1  VAL   4          2HG1      VAL   4  -2.335  -7.011 -16.703
   30   3HG1  VAL   4          3HG1      VAL   4  -1.963  -8.528 -17.556
   31   1HG2  VAL   4          1HG2      VAL   4   1.467  -7.405 -16.657
   32   2HG2  VAL   4          2HG2      VAL   4   0.372  -7.876 -17.966
   33   3HG2  VAL   4          3HG2      VAL   4   0.158  -6.309 -17.141
   34    H    LYS   5           H        LYS   5  -1.631  -6.242 -12.571
   35    HA   LYS   5           HA       LYS   5  -3.765  -8.017 -11.795
   36   1HB   LYS   5          1HB       LYS   5  -1.076  -8.751 -10.598
   37   2HB   LYS   5          2HB       LYS   5  -2.327  -8.569  -9.414
   38   1HG   LYS   5          1HG       LYS   5  -3.669 -10.325 -10.170
   39   2HG   LYS   5          2HG       LYS   5  -2.987 -10.399 -11.773
   40   1HD   LYS   5          1HD       LYS   5  -1.126 -10.946  -9.366
   41   2HD   LYS   5          2HD       LYS   5  -2.314 -12.142  -9.794
   42   1HE   LYS   5          1HE       LYS   5  -0.146 -12.703 -10.825
   43   2HE   LYS   5          2HE       LYS   5  -1.406 -12.496 -12.033
   44   1HZ   LYS   5          1HZ       LYS   5   0.569 -10.282 -11.378
   45   2HZ   LYS   5          2HZ       LYS   5   0.727 -11.309 -12.665
   46   3HZ   LYS   5          3HZ       LYS   5  -0.560 -10.277 -12.564
   47    H    GLY   6           H        GLY   6  -4.538  -5.863 -11.801
   48   1HA   GLY   6          1HA       GLY   6  -3.784  -4.000  -9.526
   49   2HA   GLY   6          2HA       GLY   6  -3.143  -3.586 -11.110
   50    H    ILE   7           H        ILE   7  -4.254  -1.692 -11.327
   51    HA   ILE   7           HA       ILE   7  -7.127  -1.288 -10.770
   52    HB   ILE   7           HB       ILE   7  -5.305   0.461 -12.566
   53   1HG1  ILE   7          1HG1      ILE   7  -4.127   0.353 -10.456
   54   2HG1  ILE   7          2HG1      ILE   7  -4.875   1.913 -10.607
   55   1HG2  ILE   7          1HG2      ILE   7  -7.898   1.143 -10.981
   56   2HG2  ILE   7          2HG2      ILE   7  -6.905   2.313 -11.882
   57   3HG2  ILE   7          3HG2      ILE   7  -7.754   1.031 -12.749
   58   1HD1  ILE   7          1HD1      ILE   7  -6.683   1.199  -8.929
   59   2HD1  ILE   7          2HD1      ILE   7  -5.868  -0.385  -8.785
   60   3HD1  ILE   7          3HD1      ILE   7  -5.037   1.097  -8.272
   61    H    THR   8           H        THR   8  -8.239  -2.814 -11.829
   62    HA   THR   8           HA       THR   8  -8.311  -2.962 -14.909
   63    HB   THR   8           HB       THR   8  -8.333  -5.524 -14.532
   64    HG1  THR   8           HG1      THR   8  -7.201  -4.771 -12.003
   65   1HG2  THR   8          1HG2      THR   8  -6.248  -4.383 -15.375
   66   2HG2  THR   8          2HG2      THR   8  -5.704  -4.102 -13.708
   67   3HG2  THR   8          3HG2      THR   8  -5.862  -5.763 -14.323
   68    H    GLN   9           H        GLN   9 -10.008  -4.563 -12.160
   69    HA   GLN   9           HA       GLN   9 -12.484  -3.315 -12.766
   70   1HB   GLN   9          1HB       GLN   9 -13.953  -5.268 -13.229
   71   2HB   GLN   9          2HB       GLN   9 -12.825  -4.965 -14.529
   72   1HG   GLN   9          1HG       GLN   9 -11.377  -6.938 -13.662
   73   2HG   GLN   9          2HG       GLN   9 -12.610  -7.259 -12.462
   74   1HE2  GLN   9          2HE2      GLN   9 -11.835  -7.539 -15.841
   75   2HE2  GLN   9          1HE2      GLN   9 -13.332  -8.551 -16.221
   76    H    GLY  10           H        GLY  10 -11.362  -2.805 -10.797
   77   1HA   GLY  10          1HA       GLY  10 -11.793  -3.970  -8.161
   78   2HA   GLY  10          2HA       GLY  10 -10.606  -4.977  -8.983
   79    HA   PRO  11           HA       PRO  11  -8.280  -0.750  -8.653
   80   1HB   PRO  11          1HB       PRO  11  -9.294   1.344  -7.161
   81   2HB   PRO  11          2HB       PRO  11  -9.771   1.012  -8.835
   82   1HG   PRO  11          1HG       PRO  11 -11.251   0.181  -6.283
   83   2HG   PRO  11          2HG       PRO  11 -11.930   1.000  -7.711
   84   1HD   PRO  11          1HD       PRO  11 -12.152  -1.729  -7.398
   85   2HD   PRO  11          2HD       PRO  11 -11.856  -1.046  -9.030
   86    H    ASN  12           H        ASN  12  -7.212  -2.394  -7.546
   87    HA   ASN  12           HA       ASN  12  -7.077  -2.897  -4.767
   88   1HB   ASN  12          1HB       ASN  12  -5.091  -4.128  -5.189
   89   2HB   ASN  12          2HB       ASN  12  -5.986  -4.225  -6.675
   90   1HD2  ASN  12          2HD2      ASN  12  -3.021  -4.325  -5.840
   91   2HD2  ASN  12          1HD2      ASN  12  -2.235  -3.181  -7.042
   92    H    GLU  13           H        GLU  13  -5.364  -0.180  -6.204
   93    HA   GLU  13           HA       GLU  13  -3.864   0.550  -3.612
   94   1HB   GLU  13          1HB       GLU  13  -4.214   2.225  -6.158
   95   2HB   GLU  13          2HB       GLU  13  -3.116   2.520  -4.831
   96   1HG   GLU  13          1HG       GLU  13  -3.002   0.152  -6.773
   97   2HG   GLU  13          2HG       GLU  13  -1.931   1.551  -6.818
   98    HE2  GLU  13           HE2      GLU  13  -1.179  -1.636  -4.563
   99    H    SER  14           H        SER  14  -5.925   0.264  -2.581
  100    HA   SER  14           HA       SER  14  -7.267   3.042  -2.126
  101   1HB   SER  14          1HB       SER  14  -8.814   1.225  -2.953
  102   2HB   SER  14          2HB       SER  14  -8.345   0.174  -1.610
  103    HG   SER  14           HG       SER  14  -9.034   1.936  -0.208
  104    HA   PRO  15           HA       PRO  15  -4.498   3.087  -1.839
  105   1HB   PRO  15          1HB       PRO  15  -2.483   4.147  -0.478
  106   2HB   PRO  15          2HB       PRO  15  -4.085   4.855  -0.290
  107   1HG   PRO  15          1HG       PRO  15  -2.840   2.663   1.516
  108   2HG   PRO  15          2HG       PRO  15  -3.250   4.314   1.941
  109   1HD   PRO  15          1HD       PRO  15  -5.092   2.149   2.194
  110   2HD   PRO  15          2HD       PRO  15  -5.686   3.789   1.783
  111    H    SER  16           H        SER  16  -2.010   2.714  -1.266
  112    HA   SER  16           HA       SER  16  -0.270   0.901  -2.252
  113   1HB   SER  16          1HB       SER  16   0.092   2.682  -0.435
  114   2HB   SER  16          2HB       SER  16  -0.589   1.582   0.774
  115    HG   SER  16           HG       SER  16   1.097   0.078   0.000
  116    H    ALA  17           H        ALA  17  -2.609  -0.986  -1.936
  117    HA   ALA  17           HA       ALA  17  -1.286  -3.361  -0.803
  118   1HB   ALA  17          1HB       ALA  17  -3.746  -3.233  -1.458
  119   2HB   ALA  17          2HB       ALA  17  -3.295  -3.152  -3.179
  120   3HB   ALA  17          3HB       ALA  17  -2.955  -4.621  -2.230
  121    H    PHE  18           H        PHE  18   0.035  -4.907  -1.725
  122    HA   PHE  18           HA       PHE  18   2.037  -5.597  -2.795
  123   1HB   PHE  18          1HB       PHE  18   0.628  -5.426  -4.982
  124   2HB   PHE  18          2HB       PHE  18   1.269  -3.824  -5.213
  125    HD1  PHE  18           HD1      PHE  18   2.339  -7.425  -4.808
  126    HD2  PHE  18           HD2      PHE  18   3.387  -3.542  -6.334
  127    HE1  PHE  18           HE1      PHE  18   4.272  -8.399  -5.980
  128    HE2  PHE  18           HE2      PHE  18   5.312  -4.532  -7.505
  129    HZ   PHE  18           HZ       PHE  18   5.762  -6.957  -7.329
  130    H    LEU  19           H        LEU  19   1.510  -2.086  -3.164
  131    HA   LEU  19           HA       LEU  19   4.377  -1.315  -2.860
  132   1HB   LEU  19          1HB       LEU  19   1.642   0.075  -2.765
  133   2HB   LEU  19          2HB       LEU  19   2.958   0.917  -2.039
  134    HG   LEU  19           HG       LEU  19   2.481   1.641  -4.326
  135   1HD1  LEU  19          1HD1      LEU  19   4.767   2.008  -3.406
  136   2HD1  LEU  19          2HD1      LEU  19   5.321   0.457  -4.076
  137   3HD1  LEU  19          3HD1      LEU  19   4.819   1.770  -5.162
  138   1HD2  LEU  19          1HD2      LEU  19   1.812  -0.529  -5.390
  139   2HD2  LEU  19          2HD2      LEU  19   3.040   0.332  -6.342
  140   3HD2  LEU  19          3HD2      LEU  19   3.503  -1.078  -5.359
  141    H    GLU  20           H        GLU  20   1.915  -1.979  -0.278
  142    HA   GLU  20           HA       GLU  20   3.835  -1.364   1.822
  143   1HB   GLU  20          1HB       GLU  20   1.266  -3.120   1.640
  144   2HB   GLU  20          2HB       GLU  20   2.196  -3.135   3.114
  145   1HG   GLU  20          1HG       GLU  20   0.855  -0.619   1.956
  146   2HG   GLU  20          2HG       GLU  20   0.248  -1.615   3.254
  147    HE2  GLU  20           HE2      GLU  20   2.283  -0.307   5.672
  148    H    ARG  21           H        ARG  21   3.354  -4.445   0.068
  149    HA   ARG  21           HA       ARG  21   5.365  -5.948   1.544
  150   1HB   ARG  21          1HB       ARG  21   4.326  -6.194  -1.351
  151   2HB   ARG  21          2HB       ARG  21   5.456  -7.329  -0.657
  152   1HG   ARG  21          1HG       ARG  21   2.648  -6.813   0.516
  153   2HG   ARG  21          2HG       ARG  21   3.015  -8.082  -0.634
  154   1HD   ARG  21          1HD       ARG  21   4.478  -9.271   0.916
  155   2HD   ARG  21          2HD       ARG  21   4.546  -7.963   2.063
  156    HE   ARG  21           HE       ARG  21   2.149  -9.790   1.553
  157   1HH1  ARG  21          1HH1      ARG  21   3.434  -7.157   3.498
  158   2HH1  ARG  21          2HH1      ARG  21   2.080  -7.331   4.700
  159   1HH2  ARG  21          1HH2      ARG  21   0.664  -9.942   2.978
  160   2HH2  ARG  21          2HH2      ARG  21   0.609  -8.821   4.410
  161    H    LEU  22           H        LEU  22   5.651  -3.772  -1.320
  162    HA   LEU  22           HA       LEU  22   8.550  -3.928  -1.461
  163   1HB   LEU  22          1HB       LEU  22   6.588  -1.721  -2.355
  164   2HB   LEU  22          2HB       LEU  22   8.282  -1.738  -2.774
  165    HG   LEU  22           HG       LEU  22   6.287  -3.915  -3.660
  166   1HD1  LEU  22          1HD1      LEU  22   7.468  -1.529  -5.234
  167   2HD1  LEU  22          2HD1      LEU  22   6.478  -2.839  -5.922
  168   3HD1  LEU  22          3HD1      LEU  22   5.771  -1.736  -4.735
  169   1HD2  LEU  22          1HD2      LEU  22   9.227  -3.429  -4.515
  170   2HD2  LEU  22          2HD2      LEU  22   8.622  -4.818  -3.578
  171   3HD2  LEU  22          3HD2      LEU  22   8.114  -4.605  -5.258
  172    H    LYS  23           H        LYS  23   6.370  -1.832   0.536
  173    HA   LYS  23           HA       LYS  23   8.595   0.053   1.289
  174   1HB   LYS  23          1HB       LYS  23   6.095   0.526   1.105
  175   2HB   LYS  23          2HB       LYS  23   5.825  -0.370   2.608
  176   1HG   LYS  23          1HG       LYS  23   7.339   1.354   3.763
  177   2HG   LYS  23          2HG       LYS  23   7.546   2.187   2.234
  178   1HD   LYS  23          1HD       LYS  23   4.895   1.846   3.805
  179   2HD   LYS  23          2HD       LYS  23   5.876   3.275   3.695
  180   1HE   LYS  23          1HE       LYS  23   4.170   3.833   2.212
  181   2HE   LYS  23          2HE       LYS  23   5.423   3.308   1.098
  182   1HZ   LYS  23          1HZ       LYS  23   3.294   1.424   2.132
  183   2HZ   LYS  23          2HZ       LYS  23   3.050   2.265   0.742
  184   3HZ   LYS  23          3HZ       LYS  23   4.256   1.154   0.830
  185    H    GLU  24           H        GLU  24   7.135  -2.780   2.984
  186    HA   GLU  24           HA       GLU  24   8.888  -2.606   5.319
  187   1HB   GLU  24          1HB       GLU  24   8.003  -4.810   5.889
  188   2HB   GLU  24          2HB       GLU  24   6.704  -3.792   5.341
  189   1HG   GLU  24          1HG       GLU  24   7.077  -5.049   2.971
  190   2HG   GLU  24          2HG       GLU  24   7.972  -6.214   3.916
  191    HE2  GLU  24           HE2      GLU  24   5.029  -4.588   3.570
  192    H    ALA  25           H        ALA  25   9.211  -4.390   2.189
  193    HA   ALA  25           HA       ALA  25  11.823  -5.507   2.668
  194   1HB   ALA  25          1HB       ALA  25  10.284  -6.172   0.777
  195   2HB   ALA  25          2HB       ALA  25  10.486  -4.573   0.023
  196   3HB   ALA  25          3HB       ALA  25  11.865  -5.686   0.146
  197    H    TYR  26           H        TYR  26  11.086  -2.342   0.952
  198    HA   TYR  26           HA       TYR  26  13.757  -1.356   0.959
  199   1HB   TYR  26          1HB       TYR  26  10.957  -0.133   0.784
  200   2HB   TYR  26          2HB       TYR  26  12.169   0.982   1.285
  201    HD1  TYR  26           HD1      TYR  26  11.165  -1.213  -1.563
  202    HD2  TYR  26           HD2      TYR  26  14.029   1.677  -0.163
  203    HE1  TYR  26           HE1      TYR  26  11.990  -0.898  -3.863
  204    HE2  TYR  26           HE2      TYR  26  14.835   1.981  -2.463
  205    HH   TYR  26           HH       TYR  26  14.576   1.411  -4.604
  206    H    ARG  27           H        ARG  27  11.603  -1.333   3.775
  207    HA   ARG  27           HA       ARG  27  13.673   0.112   5.440
  208   1HB   ARG  27          1HB       ARG  27  10.895  -0.298   5.757
  209   2HB   ARG  27          2HB       ARG  27  11.489  -1.637   6.692
  210   1HG   ARG  27          1HG       ARG  27  11.304   0.022   8.317
  211   2HG   ARG  27          2HG       ARG  27  13.000   0.199   7.961
  212   1HD   ARG  27          1HD       ARG  27  10.689   1.912   6.795
  213   2HD   ARG  27          2HD       ARG  27  11.709   2.393   8.158
  214    HE   ARG  27           HE       ARG  27  13.646   1.955   6.140
  215   1HH1  ARG  27          1HH1      ARG  27  10.827   3.979   6.272
  216   2HH1  ARG  27          2HH1      ARG  27  11.511   5.102   4.997
  217   1HH2  ARG  27          1HH2      ARG  27  14.360   3.177   4.752
  218   2HH2  ARG  27          2HH2      ARG  27  13.439   4.648   4.157
  219    H    ARG  28           H        ARG  28  13.753  -3.081   4.235
  220    HA   ARG  28           HA       ARG  28  15.760  -3.878   6.280
  221   1HB   ARG  28          1HB       ARG  28  15.144  -5.221   3.571
  222   2HB   ARG  28          2HB       ARG  28  16.210  -5.845   4.803
  223   1HG   ARG  28          1HG       ARG  28  13.153  -5.564   5.028
  224   2HG   ARG  28          2HG       ARG  28  14.013  -7.049   4.690
  225   1HD   ARG  28          1HD       ARG  28  15.002  -7.165   6.919
  226   2HD   ARG  28          2HD       ARG  28  14.570  -5.526   7.334
  227    HE   ARG  28           HE       ARG  28  12.744  -7.905   7.405
  228   1HH1  ARG  28          1HH1      ARG  28  12.745  -4.436   7.178
  229   2HH1  ARG  28          2HH1      ARG  28  11.096  -4.299   7.951
  230   1HH2  ARG  28          1HH2      ARG  28  10.867  -7.725   8.275
  231   2HH2  ARG  28          2HH2      ARG  28  10.106  -6.093   8.547
  232    H    TYR  29           H        TYR  29  15.558  -2.856   2.846
  233    HA   TYR  29           HA       TYR  29  18.438  -2.704   2.364
  234   1HB   TYR  29          1HB       TYR  29  16.357  -0.941   0.946
  235   2HB   TYR  29          2HB       TYR  29  17.874  -1.510   0.301
  236    HD1  TYR  29           HD1      TYR  29  17.173  -4.632   1.220
  237    HD2  TYR  29           HD2      TYR  29  15.197  -1.556  -1.054
  238    HE1  TYR  29           HE1      TYR  29  15.737  -6.317   0.164
  239    HE2  TYR  29           HE2      TYR  29  13.772  -3.243  -2.090
  240    HH   TYR  29           HH       TYR  29  13.335  -5.421  -2.297
  241    H    THR  30           H        THR  30  16.187  -0.025   3.235
  242    HA   THR  30           HA       THR  30  18.596   1.550   4.354
  243    HB   THR  30           HB       THR  30  16.116   2.701   3.114
  244    HG1  THR  30           HG1      THR  30  18.012   1.782   1.851
  245   1HG2  THR  30          1HG2      THR  30  18.645   4.144   4.179
  246   2HG2  THR  30          2HG2      THR  30  17.324   4.937   3.291
  247   3HG2  THR  30          3HG2      THR  30  17.014   4.247   4.900
  248    HA   PRO  31           HA       PRO  31  15.448   0.519   7.746
  249   1HB   PRO  31          1HB       PRO  31  17.190  -0.406   9.641
  250   2HB   PRO  31          2HB       PRO  31  16.845  -1.320   8.165
  251   1HG   PRO  31          1HG       PRO  31  19.250   0.520   8.683
  252   2HG   PRO  31          2HG       PRO  31  19.279  -1.165   8.096
  253   1HD   PRO  31          1HD       PRO  31  19.346   1.050   6.352
  254   2HD   PRO  31          2HD       PRO  31  18.566  -0.487   5.866
  255    H    TYR  32           H        TYR  32  15.596   3.055   7.281
  256    HA   TYR  32           HA       TYR  32  16.152   4.481   9.965
  257   1HB   TYR  32          1HB       TYR  32  16.824   5.420   7.084
  258   2HB   TYR  32          2HB       TYR  32  16.892   6.464   8.473
  259    HD1  TYR  32           HD1      TYR  32  18.568   6.048  10.346
  260    HD2  TYR  32           HD2      TYR  32  18.671   3.792   6.687
  261    HE1  TYR  32           HE1      TYR  32  20.864   5.329  10.846
  262    HE2  TYR  32           HE2      TYR  32  20.976   3.083   7.199
  263    HH   TYR  32           HH       TYR  32  22.616   4.142  10.160
  Start of MODEL    4
    1   1H    CYS   1          1H        CYS   1  -9.592  -5.043 -10.470
    2   2H    CYS   1          2H        CYS   1 -11.055  -4.417 -10.788
    3    HA   CYS   1           HA       CYS   1  -8.796  -4.779 -12.643
    4   1HB   CYS   1          1HB       CYS   1 -11.757  -5.698 -12.553
    5   2HB   CYS   1          2HB       CYS   1 -10.645  -6.013 -13.897
    6    HG   CYS   1           HG       CYS   1 -10.921  -8.144 -12.388
    7    H    ALA   2           H        ALA   2 -12.200  -3.527 -12.992
    8    HA   ALA   2           HA       ALA   2 -11.314  -1.667 -15.185
    9   1HB   ALA   2          1HB       ALA   2 -13.491  -2.934 -15.242
   10   2HB   ALA   2          2HB       ALA   2 -14.078  -2.028 -13.823
   11   3HB   ALA   2          3HB       ALA   2 -13.756  -1.187 -15.350
   12    H    LYS   3           H        LYS   3  -9.798  -0.587 -13.793
   13    HA   LYS   3           HA       LYS   3  -8.909   1.291 -12.581
   14   1HB   LYS   3          1HB       LYS   3 -11.659   2.555 -13.205
   15   2HB   LYS   3          2HB       LYS   3 -10.341   3.410 -12.440
   16   1HG   LYS   3          1HG       LYS   3  -8.881   3.118 -14.465
   17   2HG   LYS   3          2HG       LYS   3 -10.137   2.171 -15.261
   18   1HD   LYS   3          1HD       LYS   3 -11.731   4.132 -15.113
   19   2HD   LYS   3          2HD       LYS   3 -10.491   5.125 -14.383
   20   1HE   LYS   3          1HE       LYS   3 -10.325   3.853 -17.223
   21   2HE   LYS   3          2HE       LYS   3 -10.910   5.479 -16.902
   22   1HZ   LYS   3          1HZ       LYS   3  -8.683   6.055 -15.940
   23   2HZ   LYS   3          2HZ       LYS   3  -8.124   4.542 -16.213
   24   3HZ   LYS   3          3HZ       LYS   3  -8.491   5.520 -17.483
   25    H    VAL   4           H        VAL   4  -9.057  -0.391 -10.956
   26    HA   VAL   4           HA       VAL   4  -9.651  -1.503  -8.977
   27    HB   VAL   4           HB       VAL   4 -10.164  -0.207  -6.938
   28   1HG1  VAL   4          1HG1      VAL   4  -7.793  -0.651  -7.638
   29   2HG1  VAL   4          2HG1      VAL   4  -7.735   0.935  -8.438
   30   3HG1  VAL   4          3HG1      VAL   4  -7.949   0.832  -6.675
   31   1HG2  VAL   4          1HG2      VAL   4 -11.398   1.827  -7.759
   32   2HG2  VAL   4          2HG2      VAL   4 -10.019   2.233  -6.725
   33   3HG2  VAL   4          3HG2      VAL   4  -9.898   2.438  -8.486
   34    H    LYS   5           H        LYS   5 -11.232  -2.801  -9.614
   35    HA   LYS   5           HA       LYS   5 -13.975  -2.304  -8.623
   36   1HB   LYS   5          1HB       LYS   5 -13.608  -1.482 -11.326
   37   2HB   LYS   5          2HB       LYS   5 -14.080  -3.117 -11.555
   38   1HG   LYS   5          1HG       LYS   5 -16.100  -1.862 -11.668
   39   2HG   LYS   5          2HG       LYS   5 -16.167  -2.715 -10.147
   40   1HD   LYS   5          1HD       LYS   5 -16.988  -0.562  -9.666
   41   2HD   LYS   5          2HD       LYS   5 -15.407  -0.540  -8.941
   42   1HE   LYS   5          1HE       LYS   5 -16.083   0.704 -11.721
   43   2HE   LYS   5          2HE       LYS   5 -16.187   1.578 -10.201
   44   1HZ   LYS   5          1HZ       LYS   5 -13.641   0.702  -9.965
   45   2HZ   LYS   5          2HZ       LYS   5 -13.694   0.696 -11.597
   46   3HZ   LYS   5          3HZ       LYS   5 -13.960   2.085 -10.783
   47    H    GLY   6           H        GLY   6 -13.222  -3.966  -7.323
   48   1HA   GLY   6          1HA       GLY   6 -12.632  -6.703  -8.576
   49   2HA   GLY   6          2HA       GLY   6 -11.357  -5.802  -7.778
   50    H    ILE   7           H        ILE   7 -10.985  -7.235  -6.126
   51    HA   ILE   7           HA       ILE   7 -13.293  -8.489  -4.636
   52    HB   ILE   7           HB       ILE   7 -11.537  -9.891  -5.707
   53   1HG1  ILE   7          1HG1      ILE   7 -10.999 -11.388  -3.756
   54   2HG1  ILE   7          2HG1      ILE   7 -11.486 -10.145  -2.619
   55   1HG2  ILE   7          1HG2      ILE   7  -9.461  -8.476  -5.381
   56   2HG2  ILE   7          2HG2      ILE   7  -9.521  -8.751  -3.631
   57   3HG2  ILE   7          3HG2      ILE   7  -9.223 -10.102  -4.749
   58   1HD1  ILE   7          1HD1      ILE   7 -13.374 -11.473  -4.703
   59   2HD1  ILE   7          2HD1      ILE   7 -13.252 -11.925  -2.987
   60   3HD1  ILE   7          3HD1      ILE   7 -13.880 -10.331  -3.431
   61    H    THR   8           H        THR   8 -14.009  -7.694  -2.861
   62    HA   THR   8           HA       THR   8 -12.929  -5.395  -1.549
   63    HB   THR   8           HB       THR   8 -15.154  -7.293  -0.528
   64    HG1  THR   8           HG1      THR   8 -15.542  -5.011  -2.133
   65   1HG2  THR   8          1HG2      THR   8 -14.808  -4.213  -0.191
   66   2HG2  THR   8          2HG2      THR   8 -16.241  -5.152   0.304
   67   3HG2  THR   8          3HG2      THR   8 -14.684  -5.422   1.108
   68    H    GLN   9           H        GLN   9 -12.749  -8.770  -0.245
   69    HA   GLN   9           HA       GLN   9 -10.896  -7.807   1.855
   70   1HB   GLN   9          1HB       GLN   9 -12.035  -8.963   3.708
   71   2HB   GLN   9          2HB       GLN   9 -13.076  -7.727   3.047
   72   1HG   GLN   9          1HG       GLN   9 -14.477  -9.453   1.872
   73   2HG   GLN   9          2HG       GLN   9 -13.409 -10.742   2.380
   74   1HE2  GLN   9          2HE2      GLN   9 -13.379 -11.275   4.683
   75   2HE2  GLN   9          1HE2      GLN   9 -14.851 -10.805   5.694
   76    H    GLY  10           H        GLY  10  -8.906  -9.883   1.332
   77   1HA   GLY  10          1HA       GLY  10 -10.059  -8.790  -1.254
   78   2HA   GLY  10          2HA       GLY  10  -9.643  -7.638  -0.011
   79    HA   PRO  11           HA       PRO  11  -5.345  -8.707  -1.804
   80   1HB   PRO  11          1HB       PRO  11  -4.933 -10.765  -3.594
   81   2HB   PRO  11          2HB       PRO  11  -5.065 -11.042  -1.853
   82   1HG   PRO  11          1HG       PRO  11  -7.284 -11.356  -3.951
   83   2HG   PRO  11          2HG       PRO  11  -6.771 -12.547  -2.732
   84   1HD   PRO  11          1HD       PRO  11  -8.929 -10.854  -2.297
   85   2HD   PRO  11          2HD       PRO  11  -7.866 -11.361  -0.956
   86    H    ASN  12           H        ASN  12  -7.250  -7.008  -2.752
   87    HA   ASN  12           HA       ASN  12  -6.732  -6.558  -5.744
   88   1HB   ASN  12          1HB       ASN  12  -9.050  -6.219  -4.672
   89   2HB   ASN  12          2HB       ASN  12  -8.409  -4.907  -3.718
   90   1HD2  ASN  12          2HD2      ASN  12  -7.621  -3.028  -4.988
   91   2HD2  ASN  12          1HD2      ASN  12  -8.419  -2.724  -6.625
   92    H    GLU  13           H        GLU  13  -4.534  -6.602  -5.021
   93    HA   GLU  13           HA       GLU  13  -3.385  -4.424  -3.388
   94   1HB   GLU  13          1HB       GLU  13  -1.481  -5.971  -3.316
   95   2HB   GLU  13          2HB       GLU  13  -2.932  -6.908  -3.186
   96   1HG   GLU  13          1HG       GLU  13  -2.673  -7.616  -5.636
   97   2HG   GLU  13          2HG       GLU  13  -1.212  -6.646  -5.759
   98    HE2  GLU  13           HE2      GLU  13  -0.426 -10.142  -5.183
   99    H    SER  14           H        SER  14  -3.542  -4.386  -6.751
  100    HA   SER  14           HA       SER  14  -1.101  -2.828  -7.381
  101   1HB   SER  14          1HB       SER  14  -2.697  -3.886  -9.084
  102   2HB   SER  14          2HB       SER  14  -3.919  -2.675  -8.681
  103    HG   SER  14           HG       SER  14  -2.066  -1.118  -9.166
  104    HA   PRO  15           HA       PRO  15  -3.262   1.363  -6.204
  105   1HB   PRO  15          1HB       PRO  15  -5.287   1.438  -4.305
  106   2HB   PRO  15          2HB       PRO  15  -5.592   1.224  -6.039
  107   1HG   PRO  15          1HG       PRO  15  -5.319  -1.013  -3.926
  108   2HG   PRO  15          2HG       PRO  15  -6.668  -0.748  -5.004
  109   1HD   PRO  15          1HD       PRO  15  -4.765  -2.518  -5.681
  110   2HD   PRO  15          2HD       PRO  15  -5.356  -1.438  -6.971
  111    H    SER  16           H        SER  16  -3.427  -0.836  -3.352
  112    HA   SER  16           HA       SER  16  -0.877  -0.012  -2.351
  113   1HB   SER  16          1HB       SER  16  -3.209   1.439  -0.912
  114   2HB   SER  16          2HB       SER  16  -1.639   1.202  -0.143
  115    HG   SER  16           HG       SER  16  -1.700   2.251  -2.760
  116    H    ALA  17           H        ALA  17  -1.112  -2.319  -2.489
  117    HA   ALA  17           HA       ALA  17  -0.861  -3.122   0.399
  118   1HB   ALA  17          1HB       ALA  17  -3.159  -4.032  -0.155
  119   2HB   ALA  17          2HB       ALA  17  -2.470  -5.012  -1.465
  120   3HB   ALA  17          3HB       ALA  17  -2.007  -5.326   0.215
  121    H    PHE  18           H        PHE  18  -0.294  -4.225  -3.021
  122    HA   PHE  18           HA       PHE  18   2.255  -5.652  -2.374
  123   1HB   PHE  18          1HB       PHE  18   0.772  -5.885  -4.523
  124   2HB   PHE  18          2HB       PHE  18   1.361  -4.330  -5.037
  125    HD1  PHE  18           HD1      PHE  18   2.234  -7.898  -4.452
  126    HD2  PHE  18           HD2      PHE  18   3.778  -4.108  -5.774
  127    HE1  PHE  18           HE1      PHE  18   4.221  -9.020  -5.378
  128    HE2  PHE  18           HE2      PHE  18   5.755  -5.248  -6.698
  129    HZ   PHE  18           HZ       PHE  18   5.983  -7.699  -6.498
  130    H    LEU  19           H        LEU  19   1.491  -2.323  -3.297
  131    HA   LEU  19           HA       LEU  19   4.088  -1.001  -3.118
  132   1HB   LEU  19          1HB       LEU  19   1.245  -0.174  -2.200
  133   2HB   LEU  19          2HB       LEU  19   2.561   0.919  -2.129
  134    HG   LEU  19           HG       LEU  19   1.284   1.507  -3.997
  135   1HD1  LEU  19          1HD1      LEU  19   3.776   1.734  -4.296
  136   2HD1  LEU  19          2HD1      LEU  19   3.817   0.167  -5.142
  137   3HD1  LEU  19          3HD1      LEU  19   2.924   1.535  -5.840
  138   1HD2  LEU  19          1HD2      LEU  19   0.121  -0.658  -4.526
  139   2HD2  LEU  19          2HD2      LEU  19   0.755   0.162  -5.957
  140   3HD2  LEU  19          3HD2      LEU  19   1.604  -1.255  -5.319
  141    H    GLU  20           H        GLU  20   1.903  -1.828  -0.307
  142    HA   GLU  20           HA       GLU  20   3.906  -1.095   1.654
  143   1HB   GLU  20          1HB       GLU  20   1.353  -2.863   1.779
  144   2HB   GLU  20          2HB       GLU  20   2.323  -2.556   3.197
  145   1HG   GLU  20          1HG       GLU  20   1.922  -0.091   3.063
  146   2HG   GLU  20          2HG       GLU  20   1.032  -0.274   1.558
  147    HE2  GLU  20           HE2      GLU  20  -1.858  -1.390   3.004
  148    H    ARG  21           H        ARG  21   3.163  -4.385   0.294
  149    HA   ARG  21           HA       ARG  21   5.186  -5.858   1.673
  150   1HB   ARG  21          1HB       ARG  21   4.554  -6.071  -1.347
  151   2HB   ARG  21          2HB       ARG  21   5.399  -7.275  -0.403
  152   1HG   ARG  21          1HG       ARG  21   3.273  -7.629   1.001
  153   2HG   ARG  21          2HG       ARG  21   2.445  -6.491  -0.036
  154   1HD   ARG  21          1HD       ARG  21   3.376  -8.095  -2.034
  155   2HD   ARG  21          2HD       ARG  21   3.506  -9.291  -0.774
  156    HE   ARG  21           HE       ARG  21   1.014  -8.336  -2.101
  157   1HH1  ARG  21          1HH1      ARG  21   2.061  -9.570   0.968
  158   2HH1  ARG  21          2HH1      ARG  21   0.405 -10.273   1.319
  159   1HH2  ARG  21          1HH2      ARG  21  -0.770  -9.129  -1.717
  160   2HH2  ARG  21          2HH2      ARG  21  -1.144 -10.015  -0.158
  161    H    LEU  22           H        LEU  22   5.674  -3.797  -1.263
  162    HA   LEU  22           HA       LEU  22   8.565  -3.980  -1.346
  163   1HB   LEU  22          1HB       LEU  22   6.629  -1.790  -2.342
  164   2HB   LEU  22          2HB       LEU  22   8.331  -1.827  -2.735
  165    HG   LEU  22           HG       LEU  22   6.334  -4.012  -3.581
  166   1HD1  LEU  22          1HD1      LEU  22   5.857  -1.826  -4.694
  167   2HD1  LEU  22          2HD1      LEU  22   7.558  -1.676  -5.200
  168   3HD1  LEU  22          3HD1      LEU  22   6.533  -2.974  -5.862
  169   1HD2  LEU  22          1HD2      LEU  22   9.289  -3.562  -4.406
  170   2HD2  LEU  22          2HD2      LEU  22   8.658  -4.933  -3.462
  171   3HD2  LEU  22          3HD2      LEU  22   8.181  -4.740  -5.155
  172    H    LYS  23           H        LYS  23   6.378  -1.735   0.448
  173    HA   LYS  23           HA       LYS  23   8.567   0.037   1.469
  174   1HB   LYS  23          1HB       LYS  23   5.649  -0.528   2.300
  175   2HB   LYS  23          2HB       LYS  23   6.636   0.428   3.340
  176   1HG   LYS  23          1HG       LYS  23   6.588   1.312   0.407
  177   2HG   LYS  23          2HG       LYS  23   5.113   1.468   1.318
  178   1HD   LYS  23          1HD       LYS  23   6.307   3.572   1.444
  179   2HD   LYS  23          2HD       LYS  23   6.151   2.867   3.045
  180   1HE   LYS  23          1HE       LYS  23   8.582   2.049   2.918
  181   2HE   LYS  23          2HE       LYS  23   8.739   2.769   1.313
  182   1HZ   LYS  23          1HZ       LYS  23   7.819   4.437   3.642
  183   2HZ   LYS  23          2HZ       LYS  23   9.421   4.222   3.413
  184   3HZ   LYS  23          3HZ       LYS  23   8.506   4.979   2.254
  185    H    GLU  24           H        GLU  24   7.115  -2.982   2.787
  186    HA   GLU  24           HA       GLU  24   8.670  -3.040   5.244
  187   1HB   GLU  24          1HB       GLU  24   7.409  -5.284   3.526
  188   2HB   GLU  24          2HB       GLU  24   8.181  -5.603   5.060
  189   1HG   GLU  24          1HG       GLU  24   5.699  -3.783   4.747
  190   2HG   GLU  24          2HG       GLU  24   5.662  -5.480   5.180
  191    HE2  GLU  24           HE2      GLU  24   6.514  -2.733   7.900
  192    H    ALA  25           H        ALA  25   9.293  -4.534   2.021
  193    HA   ALA  25           HA       ALA  25  11.960  -5.495   2.556
  194   1HB   ALA  25          1HB       ALA  25  10.556  -6.155   0.551
  195   2HB   ALA  25          2HB       ALA  25  10.705  -4.510  -0.116
  196   3HB   ALA  25          3HB       ALA  25  12.139  -5.550   0.028
  197    H    TYR  26           H        TYR  26  11.133  -2.297   0.921
  198    HA   TYR  26           HA       TYR  26  13.743  -1.161   1.011
  199   1HB   TYR  26          1HB       TYR  26  11.075   0.299   1.512
  200   2HB   TYR  26          2HB       TYR  26  12.556   1.079   1.015
  201    HD1  TYR  26           HD1      TYR  26  13.237  -1.155  -1.267
  202    HD2  TYR  26           HD2      TYR  26   9.817   1.273  -0.296
  203    HE1  TYR  26           HE1      TYR  26  12.470  -1.290  -3.587
  204    HE2  TYR  26           HE2      TYR  26   9.064   1.120  -2.633
  205    HH   TYR  26           HH       TYR  26  10.893  -0.720  -5.048
  206    H    ARG  27           H        ARG  27  11.389  -1.194   3.712
  207    HA   ARG  27           HA       ARG  27  13.037   0.346   5.605
  208   1HB   ARG  27          1HB       ARG  27  10.413  -0.800   5.583
  209   2HB   ARG  27          2HB       ARG  27  11.194  -1.825   6.730
  210   1HG   ARG  27          1HG       ARG  27  11.444   1.259   6.986
  211   2HG   ARG  27          2HG       ARG  27   9.918   0.501   7.310
  212   1HD   ARG  27          1HD       ARG  27  11.059   0.896   9.390
  213   2HD   ARG  27          2HD       ARG  27  10.837  -0.853   9.170
  214    HE   ARG  27           HE       ARG  27  13.411  -0.509   8.105
  215   1HH1  ARG  27          1HH1      ARG  27  12.093   0.488  11.163
  216   2HH1  ARG  27          2HH1      ARG  27  13.702   0.238  12.002
  217   1HH2  ARG  27          1HH2      ARG  27  15.136  -0.784   9.029
  218   2HH2  ARG  27          2HH2      ARG  27  15.369  -0.473  10.817
  219    H    ARG  28           H        ARG  28  13.415  -3.106   4.641
  220    HA   ARG  28           HA       ARG  28  15.260  -3.902   6.724
  221   1HB   ARG  28          1HB       ARG  28  14.144  -5.448   5.101
  222   2HB   ARG  28          2HB       ARG  28  14.899  -4.635   3.744
  223   1HG   ARG  28          1HG       ARG  28  15.895  -6.778   4.054
  224   2HG   ARG  28          2HG       ARG  28  17.109  -5.559   4.259
  225   1HD   ARG  28          1HD       ARG  28  15.691  -6.874   6.687
  226   2HD   ARG  28          2HD       ARG  28  17.057  -7.647   5.855
  227    HE   ARG  28           HE       ARG  28  17.718  -4.825   6.506
  228   1HH1  ARG  28          1HH1      ARG  28  17.506  -7.942   8.049
  229   2HH1  ARG  28          2HH1      ARG  28  18.661  -7.440   9.378
  230   1HH2  ARG  28          1HH2      ARG  28  19.006  -4.304   7.978
  231   2HH2  ARG  28          2HH2      ARG  28  19.474  -5.444   9.323
  232    H    TYR  29           H        TYR  29  15.684  -1.929   3.830
  233    HA   TYR  29           HA       TYR  29  18.736  -1.904   4.117
  234   1HB   TYR  29          1HB       TYR  29  16.994  -0.845   1.796
  235   2HB   TYR  29          2HB       TYR  29  18.714  -1.086   1.766
  236    HD1  TYR  29           HD1      TYR  29  19.501  -3.683   2.340
  237    HD2  TYR  29           HD2      TYR  29  15.607  -2.552   0.912
  238    HE1  TYR  29           HE1      TYR  29  18.989  -6.035   1.818
  239    HE2  TYR  29           HE2      TYR  29  15.109  -4.878   0.402
  240    HH   TYR  29           HH       TYR  29  15.912  -6.983   0.334
  241    H    THR  30           H        THR  30  16.004   0.420   4.016
  242    HA   THR  30           HA       THR  30  17.887   2.634   4.997
  243    HB   THR  30           HB       THR  30  15.389   2.960   3.245
  244    HG1  THR  30           HG1      THR  30  17.499   2.203   2.378
  245   1HG2  THR  30          1HG2      THR  30  17.391   5.106   4.225
  246   2HG2  THR  30          2HG2      THR  30  16.084   5.360   3.042
  247   3HG2  THR  30          3HG2      THR  30  15.680   4.970   4.722
  248    HA   PRO  31           HA       PRO  31  15.152   2.135   8.688
  249   1HB   PRO  31          1HB       PRO  31  15.646   5.180   8.946
  250   2HB   PRO  31          2HB       PRO  31  15.696   3.960  10.232
  251   1HG   PRO  31          1HG       PRO  31  18.034   4.816   9.167
  252   2HG   PRO  31          2HG       PRO  31  17.819   3.070   9.417
  253   1HD   PRO  31          1HD       PRO  31  17.566   4.624   6.780
  254   2HD   PRO  31          2HD       PRO  31  18.330   3.033   7.098
  255    H    TYR  32           H        TYR  32  14.364   4.878   6.617
  256    HA   TYR  32           HA       TYR  32  11.367   4.590   7.238
  257   1HB   TYR  32          1HB       TYR  32  11.127   6.685   5.949
  258   2HB   TYR  32          2HB       TYR  32  12.218   6.859   7.276
  259    HD1  TYR  32           HD1      TYR  32  12.064   6.621   3.524
  260    HD2  TYR  32           HD2      TYR  32  14.524   7.602   6.914
  261    HE1  TYR  32           HE1      TYR  32  13.733   7.626   2.029
  262    HE2  TYR  32           HE2      TYR  32  16.186   8.614   5.401
  263    HH   TYR  32           HH       TYR  32  15.715   8.633   1.886
  Start of MODEL    5
    1   1H    CYS   1          1H        CYS   1  -5.926   9.139   2.020
    2   2H    CYS   1          2H        CYS   1  -7.378   8.820   2.713
    3    HA   CYS   1           HA       CYS   1  -7.608   8.627   0.330
    4   1HB   CYS   1          1HB       CYS   1  -9.587  10.103   0.155
    5   2HB   CYS   1          2HB       CYS   1  -9.529   9.352   1.747
    6    HG   CYS   1           HG       CYS   1  -8.570  11.424   3.037
    7    H    ALA   2           H        ALA   2  -5.498   9.071  -0.550
    8    HA   ALA   2           HA       ALA   2  -5.308  11.742  -2.032
    9   1HB   ALA   2          1HB       ALA   2  -3.950  11.923   0.083
   10   2HB   ALA   2          2HB       ALA   2  -3.032  10.457  -0.339
   11   3HB   ALA   2          3HB       ALA   2  -2.883  11.930  -1.331
   12    H    LYS   3           H        LYS   3  -4.400  11.682  -3.944
   13    HA   LYS   3           HA       LYS   3  -3.269  10.919  -5.960
   14   1HB   LYS   3          1HB       LYS   3  -3.471   8.017  -4.966
   15   2HB   LYS   3          2HB       LYS   3  -2.814   8.518  -6.499
   16   1HG   LYS   3          1HG       LYS   3  -0.907   9.684  -5.481
   17   2HG   LYS   3          2HG       LYS   3  -1.560   9.526  -3.870
   18   1HD   LYS   3          1HD       LYS   3  -0.471   7.269  -5.652
   19   2HD   LYS   3          2HD       LYS   3   0.266   7.917  -4.210
   20   1HE   LYS   3          1HE       LYS   3  -2.238   6.119  -4.391
   21   2HE   LYS   3          2HE       LYS   3  -0.673   5.705  -3.714
   22   1HZ   LYS   3          1HZ       LYS   3  -1.109   7.509  -1.956
   23   2HZ   LYS   3          2HZ       LYS   3  -2.621   7.716  -2.572
   24   3HZ   LYS   3          3HZ       LYS   3  -2.211   6.282  -1.874
   25    H    VAL   4           H        VAL   4  -4.790  11.302  -7.444
   26    HA   VAL   4           HA       VAL   4  -7.580  10.015  -7.203
   27    HB   VAL   4           HB       VAL   4  -8.381  12.012  -8.459
   28   1HG1  VAL   4          1HG1      VAL   4  -8.628  11.908  -5.988
   29   2HG1  VAL   4          2HG1      VAL   4  -7.068  12.726  -5.769
   30   3HG1  VAL   4          3HG1      VAL   4  -8.428  13.579  -6.538
   31   1HG2  VAL   4          1HG2      VAL   4  -6.275  12.893  -9.541
   32   2HG2  VAL   4          2HG2      VAL   4  -7.139  14.134  -8.620
   33   3HG2  VAL   4          3HG2      VAL   4  -5.671  13.397  -7.945
   34    H    LYS   5           H        LYS   5  -6.445   8.232  -8.225
   35    HA   LYS   5           HA       LYS   5  -7.449   8.193 -11.069
   36   1HB   LYS   5          1HB       LYS   5  -4.679   7.002 -10.380
   37   2HB   LYS   5          2HB       LYS   5  -5.615   6.550 -11.791
   38   1HG   LYS   5          1HG       LYS   5  -5.593   8.968 -12.602
   39   2HG   LYS   5          2HG       LYS   5  -4.608   9.409 -11.211
   40   1HD   LYS   5          1HD       LYS   5  -2.810   7.766 -11.966
   41   2HD   LYS   5          2HD       LYS   5  -3.786   7.360 -13.380
   42   1HE   LYS   5          1HE       LYS   5  -3.689   9.812 -14.141
   43   2HE   LYS   5          2HE       LYS   5  -2.706  10.206 -12.728
   44   1HZ   LYS   5          1HZ       LYS   5  -1.000   8.558 -13.541
   45   2HZ   LYS   5          2HZ       LYS   5  -1.908   8.207 -14.858
   46   3HZ   LYS   5          3HZ       LYS   5  -1.254   9.707 -14.688
   47    H    GLY   6           H        GLY   6  -9.071   7.575  -9.540
   48   1HA   GLY   6          1HA       GLY   6  -9.610   4.977  -8.380
   49   2HA   GLY   6          2HA       GLY   6  -8.325   5.739  -7.429
   50    H    ILE   7           H        ILE   7 -11.027   5.112  -6.593
   51    HA   ILE   7           HA       ILE   7 -12.372   7.757  -6.100
   52    HB   ILE   7           HB       ILE   7 -13.630   5.559  -6.309
   53   1HG1  ILE   7          1HG1      ILE   7 -14.147   6.937  -3.587
   54   2HG1  ILE   7          2HG1      ILE   7 -14.485   7.717  -5.122
   55   1HG2  ILE   7          1HG2      ILE   7 -12.100   4.065  -4.873
   56   2HG2  ILE   7          2HG2      ILE   7 -12.633   4.931  -3.418
   57   3HG2  ILE   7          3HG2      ILE   7 -13.790   3.978  -4.372
   58   1HD1  ILE   7          1HD1      ILE   7 -16.094   5.865  -5.763
   59   2HD1  ILE   7          2HD1      ILE   7 -15.832   5.111  -4.169
   60   3HD1  ILE   7          3HD1      ILE   7 -16.563   6.725  -4.281
   61    H    THR   8           H        THR   8 -12.171   9.070  -4.395
   62    HA   THR   8           HA       THR   8 -10.439   8.305  -1.974
   63    HB   THR   8           HB       THR   8  -9.353  10.629  -2.086
   64    HG1  THR   8           HG1      THR   8 -10.118  10.436  -4.799
   65   1HG2  THR   8          1HG2      THR   8  -8.018   8.593  -2.772
   66   2HG2  THR   8          2HG2      THR   8  -8.615   8.743  -4.442
   67   3HG2  THR   8          3HG2      THR   8  -7.585  10.012  -3.745
   68    H    GLN   9           H        GLN   9 -12.762   8.056  -1.344
   69    HA   GLN   9           HA       GLN   9 -13.350  10.172   0.476
   70   1HB   GLN   9          1HB       GLN   9 -15.621   9.514  -1.531
   71   2HB   GLN   9          2HB       GLN   9 -15.911  10.220   0.045
   72   1HG   GLN   9          1HG       GLN   9 -14.493  12.241  -0.575
   73   2HG   GLN   9          2HG       GLN   9 -14.261  11.560  -2.179
   74   1HE2  GLN   9          2HE2      GLN   9 -15.326  13.214  -3.268
   75   2HE2  GLN   9          1HE2      GLN   9 -17.124  13.545  -3.015
   76    H    GLY  10           H        GLY  10 -12.459   8.341   1.497
   77   1HA   GLY  10          1HA       GLY  10 -12.627   5.838   2.262
   78   2HA   GLY  10          2HA       GLY  10 -13.806   5.629   0.988
   79    HA   PRO  11           HA       PRO  11  -9.493   6.197  -1.239
   80   1HB   PRO  11          1HB       PRO  11  -7.434   4.614  -0.077
   81   2HB   PRO  11          2HB       PRO  11  -7.689   6.338   0.194
   82   1HG   PRO  11          1HG       PRO  11  -8.711   4.010   1.909
   83   2HG   PRO  11          2HG       PRO  11  -7.847   5.467   2.461
   84   1HD   PRO  11          1HD       PRO  11 -10.534   5.409   2.680
   85   2HD   PRO  11          2HD       PRO  11  -9.778   6.886   1.968
   86    H    ASN  12           H        ASN  12  -9.249   5.087  -2.845
   87    HA   ASN  12           HA       ASN  12 -10.446   2.687  -3.630
   88   1HB   ASN  12          1HB       ASN  12  -9.199   4.603  -5.025
   89   2HB   ASN  12          2HB       ASN  12  -7.771   3.611  -4.935
   90   1HD2  ASN  12          2HD2      ASN  12  -7.875   1.564  -6.173
   91   2HD2  ASN  12          1HD2      ASN  12  -9.171   1.405  -7.472
   92    H    GLU  13           H        GLU  13  -7.209   2.707  -2.287
   93    HA   GLU  13           HA       GLU  13  -5.778   1.008  -1.392
   94   1HB   GLU  13          1HB       GLU  13  -8.629  -0.168  -1.029
   95   2HB   GLU  13          2HB       GLU  13  -7.223  -0.877  -0.269
   96   1HG   GLU  13          1HG       GLU  13  -6.717   1.198   1.001
   97   2HG   GLU  13          2HG       GLU  13  -8.039   2.051   0.218
   98    HE2  GLU  13           HE2      GLU  13  -9.260   1.167   3.382
   99    H    SER  14           H        SER  14  -7.497  -0.308  -4.139
  100    HA   SER  14           HA       SER  14  -6.579  -2.939  -4.288
  101   1HB   SER  14          1HB       SER  14  -8.048  -1.847  -5.971
  102   2HB   SER  14          2HB       SER  14  -6.727  -0.872  -6.602
  103    HG   SER  14           HG       SER  14  -6.762  -3.731  -6.603
  104    HA   PRO  15           HA       PRO  15  -1.986  -2.448  -5.632
  105   1HB   PRO  15          1HB       PRO  15  -0.726  -0.012  -5.916
  106   2HB   PRO  15          2HB       PRO  15  -1.723  -0.719  -7.194
  107   1HG   PRO  15          1HG       PRO  15  -2.580   1.388  -5.130
  108   2HG   PRO  15          2HG       PRO  15  -2.757   1.470  -6.899
  109   1HD   PRO  15          1HD       PRO  15  -4.826   0.629  -5.272
  110   2HD   PRO  15          2HD       PRO  15  -4.583  -0.089  -6.895
  111    H    SER  16           H        SER  16  -3.278  -0.691  -2.957
  112    HA   SER  16           HA       SER  16  -0.985   0.105  -1.541
  113   1HB   SER  16          1HB       SER  16  -2.430   0.232   0.467
  114   2HB   SER  16          2HB       SER  16  -3.327   0.771  -0.939
  115    HG   SER  16           HG       SER  16  -4.404  -1.253  -0.990
  116    H    ALA  17           H        ALA  17  -2.478  -3.149  -1.054
  117    HA   ALA  17           HA       ALA  17  -0.446  -4.103   0.879
  118   1HB   ALA  17          1HB       ALA  17  -2.707  -5.188   0.518
  119   2HB   ALA  17          2HB       ALA  17  -2.234  -5.678  -1.131
  120   3HB   ALA  17          3HB       ALA  17  -1.408  -6.369   0.283
  121    H    PHE  18           H        PHE  18  -0.406  -4.182  -2.678
  122    HA   PHE  18           HA       PHE  18   2.223  -5.624  -2.912
  123   1HB   PHE  18          1HB       PHE  18   0.370  -5.453  -4.735
  124   2HB   PHE  18          2HB       PHE  18   0.717  -3.758  -4.898
  125    HD1  PHE  18           HD1      PHE  18   2.957  -3.023  -5.914
  126    HD2  PHE  18           HD2      PHE  18   1.776  -7.156  -5.766
  127    HE1  PHE  18           HE1      PHE  18   4.565  -3.555  -7.702
  128    HE2  PHE  18           HE2      PHE  18   3.381  -7.672  -7.565
  129    HZ   PHE  18           HZ       PHE  18   4.767  -5.872  -8.543
  130    H    LEU  19           H        LEU  19   1.263  -2.199  -2.945
  131    HA   LEU  19           HA       LEU  19   3.962  -1.013  -3.020
  132   1HB   LEU  19          1HB       LEU  19   1.496   0.055  -3.239
  133   2HB   LEU  19          2HB       LEU  19   1.501   0.103  -1.513
  134    HG   LEU  19           HG       LEU  19   3.623   1.547  -1.593
  135   1HD1  LEU  19          1HD1      LEU  19   2.989   1.659  -4.630
  136   2HD1  LEU  19          2HD1      LEU  19   4.134   2.726  -3.785
  137   3HD1  LEU  19          3HD1      LEU  19   4.465   0.993  -3.901
  138   1HD2  LEU  19          1HD2      LEU  19   1.335   2.533  -1.271
  139   2HD2  LEU  19          2HD2      LEU  19   2.345   3.625  -2.245
  140   3HD2  LEU  19          3HD2      LEU  19   1.102   2.623  -3.033
  141    H    GLU  20           H        GLU  20   1.928  -1.697  -0.106
  142    HA   GLU  20           HA       GLU  20   4.046  -1.251   1.773
  143   1HB   GLU  20          1HB       GLU  20   1.502  -3.027   1.916
  144   2HB   GLU  20          2HB       GLU  20   2.532  -2.845   3.309
  145   1HG   GLU  20          1HG       GLU  20   1.140  -0.452   1.928
  146   2HG   GLU  20          2HG       GLU  20   0.487  -1.330   3.291
  147    HE2  GLU  20           HE2      GLU  20   2.388   0.242   5.629
  148    H    ARG  21           H        ARG  21   3.235  -4.480   0.277
  149    HA   ARG  21           HA       ARG  21   5.324  -6.031   1.437
  150   1HB   ARG  21          1HB       ARG  21   3.501  -6.763  -0.196
  151   2HB   ARG  21          2HB       ARG  21   4.301  -5.869  -1.470
  152   1HG   ARG  21          1HG       ARG  21   6.371  -7.492  -1.050
  153   2HG   ARG  21          2HG       ARG  21   5.268  -8.424  -0.060
  154   1HD   ARG  21          1HD       ARG  21   5.232  -9.449  -2.282
  155   2HD   ARG  21          2HD       ARG  21   3.693  -8.666  -2.054
  156    HE   ARG  21           HE       ARG  21   4.190  -7.083  -3.820
  157   1HH1  ARG  21          1HH1      ARG  21   7.129  -8.705  -2.962
  158   2HH1  ARG  21          2HH1      ARG  21   8.035  -7.986  -4.382
  159   1HH2  ARG  21          1HH2      ARG  21   5.222  -6.283  -5.417
  160   2HH2  ARG  21          2HH2      ARG  21   6.979  -6.674  -5.686
  161    H    LEU  22           H        LEU  22   5.678  -3.662  -1.277
  162    HA   LEU  22           HA       LEU  22   8.570  -3.937  -1.520
  163   1HB   LEU  22          1HB       LEU  22   6.629  -1.694  -2.367
  164   2HB   LEU  22          2HB       LEU  22   8.314  -1.713  -2.800
  165    HG   LEU  22           HG       LEU  22   6.316  -3.891  -3.665
  166   1HD1  LEU  22          1HD1      LEU  22   5.740  -1.676  -4.669
  167   2HD1  LEU  22          2HD1      LEU  22   7.413  -1.462  -5.239
  168   3HD1  LEU  22          3HD1      LEU  22   6.392  -2.756  -5.912
  169   1HD2  LEU  22          1HD2      LEU  22   9.229  -3.321  -4.569
  170   2HD2  LEU  22          2HD2      LEU  22   8.664  -4.761  -3.692
  171   3HD2  LEU  22          3HD2      LEU  22   8.137  -4.476  -5.363
  172    H    LYS  23           H        LYS  23   6.484  -1.606   0.366
  173    HA   LYS  23           HA       LYS  23   8.832   0.025   1.298
  174   1HB   LYS  23          1HB       LYS  23   5.922  -0.244   2.315
  175   2HB   LYS  23          2HB       LYS  23   7.076   0.844   3.042
  176   1HG   LYS  23          1HG       LYS  23   7.346   2.167   0.992
  177   2HG   LYS  23          2HG       LYS  23   6.368   1.047   0.051
  178   1HD   LYS  23          1HD       LYS  23   4.347   1.525   1.368
  179   2HD   LYS  23          2HD       LYS  23   5.200   2.537   2.505
  180   1HE   LYS  23          1HE       LYS  23   4.946   3.176  -0.533
  181   2HE   LYS  23          2HE       LYS  23   3.780   3.719   0.668
  182   1HZ   LYS  23          1HZ       LYS  23   5.618   4.920   1.848
  183   2HZ   LYS  23          2HZ       LYS  23   6.717   4.414   0.748
  184   3HZ   LYS  23          3HZ       LYS  23   5.527   5.455   0.294
  185    H    GLU  24           H        GLU  24   7.065  -2.744   2.781
  186    HA   GLU  24           HA       GLU  24   8.582  -2.836   5.258
  187   1HB   GLU  24          1HB       GLU  24   7.048  -4.983   3.630
  188   2HB   GLU  24          2HB       GLU  24   7.736  -5.317   5.208
  189   1HG   GLU  24          1HG       GLU  24   6.261  -3.674   6.336
  190   2HG   GLU  24          2HG       GLU  24   5.618  -3.109   4.800
  191    HE2  GLU  24           HE2      GLU  24   4.235  -6.435   6.449
  192    H    ALA  25           H        ALA  25   9.253  -4.269   2.034
  193    HA   ALA  25           HA       ALA  25  11.805  -5.490   2.823
  194   1HB   ALA  25          1HB       ALA  25  10.490  -6.220   0.784
  195   2HB   ALA  25          2HB       ALA  25  10.717  -4.620   0.047
  196   3HB   ALA  25          3HB       ALA  25  12.114  -5.682   0.320
  197    H    TYR  26           H        TYR  26  11.101  -2.367   1.084
  198    HA   TYR  26           HA       TYR  26  13.798  -1.454   1.031
  199   1HB   TYR  26          1HB       TYR  26  11.192   0.222   1.151
  200   2HB   TYR  26          2HB       TYR  26  12.727   0.829   0.592
  201    HD1  TYR  26           HD1      TYR  26  12.819  -2.239  -1.107
  202    HD2  TYR  26           HD2      TYR  26  10.535   1.409  -0.970
  203    HE1  TYR  26           HE1      TYR  26  12.145  -2.566  -3.439
  204    HE2  TYR  26           HE2      TYR  26   9.862   1.055  -3.309
  205    HH   TYR  26           HH       TYR  26  11.017  -1.718  -5.181
  206    H    ARG  27           H        ARG  27  11.605  -1.021   3.816
  207    HA   ARG  27           HA       ARG  27  13.516   0.815   5.251
  208   1HB   ARG  27          1HB       ARG  27  10.982   0.499   5.698
  209   2HB   ARG  27          2HB       ARG  27  11.333  -1.026   6.473
  210   1HG   ARG  27          1HG       ARG  27  12.808   1.545   7.359
  211   2HG   ARG  27          2HG       ARG  27  11.120   1.368   7.783
  212   1HD   ARG  27          1HD       ARG  27  11.486  -0.650   9.106
  213   2HD   ARG  27          2HD       ARG  27  13.169  -0.802   8.566
  214    HE   ARG  27           HE       ARG  27  13.280   1.761   9.622
  215   1HH1  ARG  27          1HH1      ARG  27  12.332  -1.291  10.994
  216   2HH1  ARG  27          2HH1      ARG  27  12.984  -0.807  12.636
  217   1HH2  ARG  27          1HH2      ARG  27  13.876   2.298  11.432
  218   2HH2  ARG  27          2HH2      ARG  27  13.810   1.174  12.871
  219    H    ARG  28           H        ARG  28  15.300  -0.427   4.458
  220    HA   ARG  28           HA       ARG  28  16.564  -2.198   6.403
  221   1HB   ARG  28          1HB       ARG  28  14.970  -3.589   4.558
  222   2HB   ARG  28          2HB       ARG  28  16.367  -3.423   3.568
  223   1HG   ARG  28          1HG       ARG  28  16.857  -5.478   4.571
  224   2HG   ARG  28          2HG       ARG  28  17.697  -4.435   5.687
  225   1HD   ARG  28          1HD       ARG  28  16.496  -5.844   7.146
  226   2HD   ARG  28          2HD       ARG  28  15.469  -4.434   7.152
  227    HE   ARG  28           HE       ARG  28  14.954  -7.101   5.704
  228   1HH1  ARG  28          1HH1      ARG  28  13.608  -3.918   6.474
  229   2HH1  ARG  28          2HH1      ARG  28  11.980  -4.484   5.857
  230   1HH2  ARG  28          1HH2      ARG  28  13.022  -7.620   5.138
  231   2HH2  ARG  28          2HH2      ARG  28  11.666  -6.399   5.281
  232    H    TYR  29           H        TYR  29  16.795  -1.149   2.935
  233    HA   TYR  29           HA       TYR  29  19.691  -0.297   3.304
  234   1HB   TYR  29          1HB       TYR  29  19.591   0.401   1.005
  235   2HB   TYR  29          2HB       TYR  29  18.872  -1.176   1.125
  236    HD1  TYR  29           HD1      TYR  29  18.018   2.458   0.636
  237    HD2  TYR  29           HD2      TYR  29  16.697  -1.615   0.232
  238    HE1  TYR  29           HE1      TYR  29  16.043   3.211  -0.631
  239    HE2  TYR  29           HE2      TYR  29  14.815  -0.866  -1.120
  240    HH   TYR  29           HH       TYR  29  13.713   0.882  -1.978
  241    H    THR  30           H        THR  30  16.525   1.249   3.662
  242    HA   THR  30           HA       THR  30  17.923   3.893   4.348
  243    HB   THR  30           HB       THR  30  14.963   3.602   3.664
  244    HG1  THR  30           HG1      THR  30  16.546   3.261   1.938
  245   1HG2  THR  30          1HG2      THR  30  16.761   6.121   3.873
  246   2HG2  THR  30          2HG2      THR  30  15.049   6.103   3.400
  247   3HG2  THR  30          3HG2      THR  30  15.503   5.657   5.055
  248    HA   PRO  31           HA       PRO  31  16.676   2.403   8.565
  249   1HB   PRO  31          1HB       PRO  31  16.971   5.409   9.209
  250   2HB   PRO  31          2HB       PRO  31  17.593   4.024  10.129
  251   1HG   PRO  31          1HG       PRO  31  19.291   5.420   8.534
  252   2HG   PRO  31          2HG       PRO  31  19.367   3.642   8.512
  253   1HD   PRO  31          1HD       PRO  31  18.012   5.477   6.447
  254   2HD   PRO  31          2HD       PRO  31  19.032   4.024   6.196
  255    H    TYR  32           H        TYR  32  15.011   5.212   7.242
  256    HA   TYR  32           HA       TYR  32  12.378   4.017   8.150
  257   1HB   TYR  32          1HB       TYR  32  13.135   6.944   8.827
  258   2HB   TYR  32          2HB       TYR  32  11.487   6.393   8.756
  259    HD1  TYR  32           HD1      TYR  32  10.684   4.501  10.323
  260    HD2  TYR  32           HD2      TYR  32  14.466   6.478  10.855
  261    HE1  TYR  32           HE1      TYR  32  10.797   3.679  12.643
  262    HE2  TYR  32           HE2      TYR  32  14.563   5.654  13.170
  263    HH   TYR  32           HH       TYR  32  13.453   4.578  14.799
  Start of MODEL    6
    1   1H    CYS   1          1H        CYS   1 -23.232   1.344  -7.360
    2   2H    CYS   1          2H        CYS   1 -21.758   0.870  -7.871
    3    HA   CYS   1           HA       CYS   1 -23.386  -0.471  -5.786
    4   1HB   CYS   1          1HB       CYS   1 -24.279  -0.652  -8.127
    5   2HB   CYS   1          2HB       CYS   1 -22.718  -1.270  -8.700
    6    HG   CYS   1           HG       CYS   1 -24.404  -3.237  -8.500
    7    H    ALA   2           H        ALA   2 -21.893  -1.046  -4.281
    8    HA   ALA   2           HA       ALA   2 -19.138  -2.119  -5.055
    9   1HB   ALA   2          1HB       ALA   2 -19.428  -0.166  -3.475
   10   2HB   ALA   2          2HB       ALA   2 -20.370  -1.196  -2.359
   11   3HB   ALA   2          3HB       ALA   2 -18.660  -1.540  -2.670
   12    H    LYS   3           H        LYS   3 -21.647  -3.948  -5.128
   13    HA   LYS   3           HA       LYS   3 -21.418  -5.868  -3.048
   14   1HB   LYS   3          1HB       LYS   3 -22.484  -6.195  -5.926
   15   2HB   LYS   3          2HB       LYS   3 -22.660  -7.423  -4.692
   16   1HG   LYS   3          1HG       LYS   3 -23.958  -5.814  -3.216
   17   2HG   LYS   3          2HG       LYS   3 -23.853  -4.584  -4.475
   18   1HD   LYS   3          1HD       LYS   3 -25.047  -6.132  -6.096
   19   2HD   LYS   3          2HD       LYS   3 -25.136  -7.376  -4.848
   20   1HE   LYS   3          1HE       LYS   3 -26.525  -5.801  -3.379
   21   2HE   LYS   3          2HE       LYS   3 -26.454  -4.564  -4.637
   22   1HZ   LYS   3          1HZ       LYS   3 -27.624  -7.326  -5.049
   23   2HZ   LYS   3          2HZ       LYS   3 -28.524  -5.967  -4.846
   24   3HZ   LYS   3          3HZ       LYS   3 -27.594  -6.153  -6.189
   25    H    VAL   4           H        VAL   4 -19.474  -6.663  -2.621
   26    HA   VAL   4           HA       VAL   4 -17.278  -7.549  -2.751
   27    HB   VAL   4           HB       VAL   4 -16.971  -9.740  -3.858
   28   1HG1  VAL   4          1HG1      VAL   4 -17.919  -9.665  -1.550
   29   2HG1  VAL   4          2HG1      VAL   4 -19.568  -9.719  -2.217
   30   3HG1  VAL   4          3HG1      VAL   4 -18.465 -11.094  -2.447
   31   1HG2  VAL   4          1HG2      VAL   4 -18.451  -9.566  -5.890
   32   2HG2  VAL   4          2HG2      VAL   4 -18.707 -11.061  -4.965
   33   3HG2  VAL   4          3HG2      VAL   4 -19.882  -9.729  -4.851
   34    H    LYS   5           H        LYS   5 -17.413  -5.334  -4.156
   35    HA   LYS   5           HA       LYS   5 -15.089  -5.520  -5.982
   36   1HB   LYS   5          1HB       LYS   5 -16.130  -4.608  -8.034
   37   2HB   LYS   5          2HB       LYS   5 -16.641  -6.232  -7.709
   38   1HG   LYS   5          1HG       LYS   5 -18.875  -5.714  -7.399
   39   2HG   LYS   5          2HG       LYS   5 -18.594  -4.185  -6.642
   40   1HD   LYS   5          1HD       LYS   5 -18.550  -4.786  -9.651
   41   2HD   LYS   5          2HD       LYS   5 -19.751  -3.876  -8.768
   42   1HE   LYS   5          1HE       LYS   5 -16.888  -2.978  -9.483
   43   2HE   LYS   5          2HE       LYS   5 -18.396  -2.325 -10.087
   44   1HZ   LYS   5          1HZ       LYS   5 -18.914  -1.514  -7.761
   45   2HZ   LYS   5          2HZ       LYS   5 -17.508  -2.148  -7.203
   46   3HZ   LYS   5          3HZ       LYS   5 -17.418  -0.900  -8.260
   47    H    GLY   6           H        GLY   6 -14.545  -4.201  -4.166
   48   1HA   GLY   6          1HA       GLY   6 -16.325  -2.169  -3.176
   49   2HA   GLY   6          2HA       GLY   6 -14.721  -2.446  -2.560
   50    H    ILE   7           H        ILE   7 -12.946  -1.168  -3.524
   51    HA   ILE   7           HA       ILE   7 -13.913   1.630  -4.292
   52    HB   ILE   7           HB       ILE   7 -11.070   0.711  -3.530
   53   1HG1  ILE   7          1HG1      ILE   7 -12.988   2.312  -1.701
   54   2HG1  ILE   7          2HG1      ILE   7 -12.900   0.573  -1.616
   55   1HG2  ILE   7          1HG2      ILE   7 -11.138   2.871  -4.891
   56   2HG2  ILE   7          2HG2      ILE   7 -12.330   3.562  -3.769
   57   3HG2  ILE   7          3HG2      ILE   7 -10.673   3.229  -3.229
   58   1HD1  ILE   7          1HD1      ILE   7 -10.437   0.636  -1.084
   59   2HD1  ILE   7          2HD1      ILE   7 -10.481   2.416  -1.097
   60   3HD1  ILE   7          3HD1      ILE   7 -11.421   1.513   0.108
   61    H    THR   8           H        THR   8 -14.547   0.981  -6.398
   62    HA   THR   8           HA       THR   8 -12.321   0.352  -8.432
   63    HB   THR   8           HB       THR   8 -14.076  -0.557  -9.873
   64    HG1  THR   8           HG1      THR   8 -15.679   0.894  -8.997
   65   1HG2  THR   8          1HG2      THR   8 -13.098  -2.134  -8.129
   66   2HG2  THR   8          2HG2      THR   8 -14.433  -1.724  -7.027
   67   3HG2  THR   8          3HG2      THR   8 -14.766  -2.560  -8.562
   68    H    GLN   9           H        GLN   9 -11.625   2.498  -8.756
   69    HA   GLN   9           HA       GLN   9 -12.768   3.540 -11.109
   70   1HB   GLN   9          1HB       GLN   9 -14.243   4.879  -9.458
   71   2HB   GLN   9          2HB       GLN   9 -12.787   5.605  -8.795
   72   1HG   GLN   9          1HG       GLN   9 -12.294   6.564 -11.177
   73   2HG   GLN   9          2HG       GLN   9 -13.821   5.883 -11.707
   74   1HE2  GLN   9          2HE2      GLN   9 -12.388   8.294  -9.562
   75   2HE2  GLN   9          1HE2      GLN   9 -13.938   9.293  -9.473
   76    H    GLY  10           H        GLY  10 -10.709   2.467 -11.256
   77   1HA   GLY  10          1HA       GLY  10  -8.154   2.434 -11.023
   78   2HA   GLY  10          2HA       GLY  10  -8.291   3.739  -9.859
   79    HA   PRO  11           HA       PRO  11  -9.719  -0.524  -7.616
   80   1HB   PRO  11          1HB       PRO  11  -7.444  -2.067  -8.999
   81   2HB   PRO  11          2HB       PRO  11  -8.941  -2.703  -8.290
   82   1HG   PRO  11          1HG       PRO  11  -8.822  -2.338 -10.973
   83   2HG   PRO  11          2HG       PRO  11 -10.283  -1.792 -10.116
   84   1HD   PRO  11          1HD       PRO  11  -7.951  -0.077 -11.127
   85   2HD   PRO  11          2HD       PRO  11  -9.716   0.269 -11.101
   86    H    ASN  12           H        ASN  12  -9.005   0.646  -6.026
   87    HA   ASN  12           HA       ASN  12  -6.353   1.371  -5.253
   88   1HB   ASN  12          1HB       ASN  12  -8.637   2.308  -4.444
   89   2HB   ASN  12          2HB       ASN  12  -8.760   0.953  -3.341
   90   1HD2  ASN  12          2HD2      ASN  12  -6.879   3.883  -4.051
   91   2HD2  ASN  12          1HD2      ASN  12  -6.306   4.027  -2.305
   92    H    GLU  13           H        GLU  13  -7.889  -1.614  -4.126
   93    HA   GLU  13           HA       GLU  13  -5.891  -2.043  -1.967
   94   1HB   GLU  13          1HB       GLU  13  -7.941  -4.054  -3.143
   95   2HB   GLU  13          2HB       GLU  13  -7.074  -4.250  -1.636
   96   1HG   GLU  13          1HG       GLU  13  -9.283  -2.182  -2.202
   97   2HG   GLU  13          2HG       GLU  13  -9.363  -3.577  -1.144
   98    HE2  GLU  13           HE2      GLU  13  -7.812  -0.121   0.085
   99    H    SER  14           H        SER  14  -6.082  -3.549  -5.168
  100    HA   SER  14           HA       SER  14  -3.837  -5.469  -4.806
  101   1HB   SER  14          1HB       SER  14  -5.494  -5.585  -6.698
  102   2HB   SER  14          2HB       SER  14  -4.893  -4.083  -7.381
  103    HG   SER  14           HG       SER  14  -2.783  -5.170  -7.487
  104    HA   PRO  15           HA       PRO  15  -0.590  -2.069  -6.099
  105   1HB   PRO  15          1HB       PRO  15  -1.296   0.627  -6.154
  106   2HB   PRO  15          2HB       PRO  15  -1.382  -0.448  -7.559
  107   1HG   PRO  15          1HG       PRO  15  -3.671   0.343  -5.685
  108   2HG   PRO  15          2HG       PRO  15  -3.670   0.350  -7.460
  109   1HD   PRO  15          1HD       PRO  15  -4.741  -1.727  -6.032
  110   2HD   PRO  15          2HD       PRO  15  -3.904  -2.031  -7.580
  111    H    SER  16           H        SER  16  -2.991  -0.697  -3.616
  112    HA   SER  16           HA       SER  16  -0.838   0.270  -1.937
  113   1HB   SER  16          1HB       SER  16  -2.675   0.548  -0.212
  114   2HB   SER  16          2HB       SER  16  -3.092   1.231  -1.772
  115    HG   SER  16           HG       SER  16  -4.532  -0.352  -2.138
  116    H    ALA  17           H        ALA  17  -2.500  -2.932  -1.818
  117    HA   ALA  17           HA       ALA  17  -0.860  -3.957   0.463
  118   1HB   ALA  17          1HB       ALA  17  -3.026  -5.015  -0.303
  119   2HB   ALA  17          2HB       ALA  17  -2.292  -5.433  -1.873
  120   3HB   ALA  17          3HB       ALA  17  -1.695  -6.185  -0.374
  121    H    PHE  18           H        PHE  18  -0.312  -4.097  -3.126
  122    HA   PHE  18           HA       PHE  18   2.302  -5.502  -2.863
  123   1HB   PHE  18          1HB       PHE  18   0.683  -5.317  -4.955
  124   2HB   PHE  18          2HB       PHE  18   1.333  -3.723  -5.211
  125    HD1  PHE  18           HD1      PHE  18   2.075  -7.378  -5.185
  126    HD2  PHE  18           HD2      PHE  18   3.695  -3.497  -6.087
  127    HE1  PHE  18           HE1      PHE  18   3.939  -8.431  -6.401
  128    HE2  PHE  18           HE2      PHE  18   5.551  -4.566  -7.305
  129    HZ   PHE  18           HZ       PHE  18   5.681  -7.026  -7.461
  130    H    LEU  19           H        LEU  19   1.528  -2.027  -3.161
  131    HA   LEU  19           HA       LEU  19   4.278  -0.963  -2.850
  132   1HB   LEU  19          1HB       LEU  19   1.415   0.072  -2.416
  133   2HB   LEU  19          2HB       LEU  19   2.635   0.899  -1.541
  134    HG   LEU  19           HG       LEU  19   3.935   1.388  -3.631
  135   1HD1  LEU  19          1HD1      LEU  19   3.097  -0.466  -5.147
  136   2HD1  LEU  19          2HD1      LEU  19   1.479   0.270  -5.155
  137   3HD1  LEU  19          3HD1      LEU  19   2.858   1.132  -5.875
  138   1HD2  LEU  19          1HD2      LEU  19   2.299   3.037  -2.665
  139   2HD2  LEU  19          2HD2      LEU  19   2.349   3.161  -4.432
  140   3HD2  LEU  19          3HD2      LEU  19   0.986   2.333  -3.641
  141    H    GLU  20           H        GLU  20   1.935  -1.937  -0.227
  142    HA   GLU  20           HA       GLU  20   3.907  -1.439   1.859
  143   1HB   GLU  20          1HB       GLU  20   1.166  -2.871   1.635
  144   2HB   GLU  20          2HB       GLU  20   2.066  -3.072   3.094
  145   1HG   GLU  20          1HG       GLU  20   0.236  -1.212   3.017
  146   2HG   GLU  20          2HG       GLU  20   1.711  -0.978   3.909
  147    HE2  GLU  20           HE2      GLU  20   0.413  -0.373   0.759
  148    H    ARG  21           H        ARG  21   3.098  -4.522   0.149
  149    HA   ARG  21           HA       ARG  21   5.086  -6.208   1.347
  150   1HB   ARG  21          1HB       ARG  21   3.319  -6.837  -0.354
  151   2HB   ARG  21          2HB       ARG  21   4.149  -5.890  -1.576
  152   1HG   ARG  21          1HG       ARG  21   6.170  -7.482  -1.343
  153   2HG   ARG  21          2HG       ARG  21   5.202  -8.470  -0.256
  154   1HD   ARG  21          1HD       ARG  21   3.475  -8.832  -2.039
  155   2HD   ARG  21          2HD       ARG  21   4.263  -7.724  -3.135
  156    HE   ARG  21           HE       ARG  21   5.125 -10.539  -2.489
  157   1HH1  ARG  21          1HH1      ARG  21   6.214  -7.544  -3.883
  158   2HH1  ARG  21          2HH1      ARG  21   7.527  -8.383  -4.845
  159   1HH2  ARG  21          1HH2      ARG  21   6.599 -11.460  -3.612
  160   2HH2  ARG  21          2HH2      ARG  21   7.712 -10.499  -4.685
  161    H    LEU  22           H        LEU  22   5.579  -3.766  -1.310
  162    HA   LEU  22           HA       LEU  22   8.465  -4.068  -1.411
  163   1HB   LEU  22          1HB       LEU  22   6.575  -1.790  -2.284
  164   2HB   LEU  22          2HB       LEU  22   8.278  -1.798  -2.648
  165    HG   LEU  22           HG       LEU  22   6.345  -3.966  -3.658
  166   1HD1  LEU  22          1HD1      LEU  22   7.458  -1.457  -5.093
  167   2HD1  LEU  22          2HD1      LEU  22   6.502  -2.748  -5.860
  168   3HD1  LEU  22          3HD1      LEU  22   5.766  -1.731  -4.610
  169   1HD2  LEU  22          1HD2      LEU  22   9.267  -3.320  -4.469
  170   2HD2  LEU  22          2HD2      LEU  22   8.725  -4.776  -3.600
  171   3HD2  LEU  22          3HD2      LEU  22   8.211  -4.509  -5.275
  172    H    LYS  23           H        LYS  23   6.363  -1.837   0.505
  173    HA   LYS  23           HA       LYS  23   8.559   0.006   1.272
  174   1HB   LYS  23          1HB       LYS  23   6.032   0.462   1.137
  175   2HB   LYS  23          2HB       LYS  23   5.796  -0.521   2.575
  176   1HG   LYS  23          1HG       LYS  23   7.264   1.142   3.871
  177   2HG   LYS  23          2HG       LYS  23   7.429   2.099   2.395
  178   1HD   LYS  23          1HD       LYS  23   4.878   2.293   2.267
  179   2HD   LYS  23          2HD       LYS  23   4.719   1.418   3.767
  180   1HE   LYS  23          1HE       LYS  23   6.217   4.126   3.452
  181   2HE   LYS  23          2HE       LYS  23   4.521   3.978   3.896
  182   1HZ   LYS  23          1HZ       LYS  23   5.207   2.653   5.899
  183   2HZ   LYS  23          2HZ       LYS  23   6.789   2.807   5.509
  184   3HZ   LYS  23          3HZ       LYS  23   5.920   4.137   5.941
  185    H    GLU  24           H        GLU  24   7.134  -2.778   2.996
  186    HA   GLU  24           HA       GLU  24   8.821  -2.584   5.376
  187   1HB   GLU  24          1HB       GLU  24   7.904  -4.773   5.942
  188   2HB   GLU  24          2HB       GLU  24   6.629  -3.776   5.313
  189   1HG   GLU  24          1HG       GLU  24   7.025  -5.070   3.001
  190   2HG   GLU  24          2HG       GLU  24   8.018  -6.169   3.930
  191    HE2  GLU  24           HE2      GLU  24   4.966  -4.855   3.477
  192    H    ALA  25           H        ALA  25   9.324  -4.224   2.237
  193    HA   ALA  25           HA       ALA  25  11.938  -5.339   2.927
  194   1HB   ALA  25          1HB       ALA  25  10.360  -6.277   1.158
  195   2HB   ALA  25          2HB       ALA  25  10.555  -4.791   0.192
  196   3HB   ALA  25          3HB       ALA  25  11.931  -5.874   0.464
  197    H    TYR  26           H        TYR  26  11.056  -2.348   0.941
  198    HA   TYR  26           HA       TYR  26  13.675  -1.309   0.621
  199   1HB   TYR  26          1HB       TYR  26  11.089   0.252   1.252
  200   2HB   TYR  26          2HB       TYR  26  12.534   0.987   0.607
  201    HD1  TYR  26           HD1      TYR  26  12.846  -1.612  -1.525
  202    HD2  TYR  26           HD2      TYR  26   9.912   1.389  -0.572
  203    HE1  TYR  26           HE1      TYR  26  11.969  -1.743  -3.802
  204    HE2  TYR  26           HE2      TYR  26   9.043   1.243  -2.868
  205    HH   TYR  26           HH       TYR  26  10.514  -0.904  -5.273
  206    H    ARG  27           H        ARG  27  11.631  -0.839   3.491
  207    HA   ARG  27           HA       ARG  27  13.516   0.439   5.350
  208   1HB   ARG  27          1HB       ARG  27  11.066   0.010   5.721
  209   2HB   ARG  27          2HB       ARG  27  11.313  -1.709   5.574
  210   1HG   ARG  27          1HG       ARG  27  12.831  -1.457   7.787
  211   2HG   ARG  27          2HG       ARG  27  12.102   0.127   7.905
  212   1HD   ARG  27          1HD       ARG  27  10.826  -1.411   9.292
  213   2HD   ARG  27          2HD       ARG  27   9.776  -0.967   7.930
  214    HE   ARG  27           HE       ARG  27  11.095  -3.308   6.980
  215   1HH1  ARG  27          1HH1      ARG  27   9.126  -2.685   9.782
  216   2HH1  ARG  27          2HH1      ARG  27   8.608  -4.437   9.884
  217   1HH2  ARG  27          1HH2      ARG  27  10.513  -5.234   7.121
  218   2HH2  ARG  27          2HH2      ARG  27   9.385  -5.823   8.433
  219    H    ARG  28           H        ARG  28  13.626  -3.005   4.133
  220    HA   ARG  28           HA       ARG  28  15.679  -3.704   6.140
  221   1HB   ARG  28          1HB       ARG  28  13.915  -5.384   5.542
  222   2HB   ARG  28          2HB       ARG  28  14.349  -5.297   3.848
  223   1HG   ARG  28          1HG       ARG  28  15.164  -7.357   4.862
  224   2HG   ARG  28          2HG       ARG  28  16.511  -6.443   4.250
  225   1HD   ARG  28          1HD       ARG  28  15.653  -6.418   7.227
  226   2HD   ARG  28          2HD       ARG  28  16.772  -7.624   6.554
  227    HE   ARG  28           HE       ARG  28  17.802  -5.023   5.751
  228   1HH1  ARG  28          1HH1      ARG  28  17.370  -6.618   8.799
  229   2HH1  ARG  28          2HH1      ARG  28  18.375  -5.353   9.663
  230   1HH2  ARG  28          1HH2      ARG  28  18.860  -3.634   6.706
  231   2HH2  ARG  28          2HH2      ARG  28  19.208  -3.738   8.495
  232    H    TYR  29           H        TYR  29  15.434  -3.198   2.575
  233    HA   TYR  29           HA       TYR  29  18.350  -3.450   2.056
  234   1HB   TYR  29          1HB       TYR  29  16.378  -1.730   0.443
  235   2HB   TYR  29          2HB       TYR  29  17.845  -2.467  -0.142
  236    HD1  TYR  29           HD1      TYR  29  17.413  -5.387   0.916
  237    HD2  TYR  29           HD2      TYR  29  14.769  -2.608  -1.021
  238    HE1  TYR  29           HE1      TYR  29  15.908  -7.219   0.342
  239    HE2  TYR  29           HE2      TYR  29  13.254  -4.453  -1.587
  240    HH   TYR  29           HH       TYR  29  14.052  -7.820  -0.750
  241    H    THR  30           H        THR  30  16.648  -0.915   3.522
  242    HA   THR  30           HA       THR  30  18.772   1.216   3.273
  243    HB   THR  30           HB       THR  30  16.520   0.992   5.353
  244    HG1  THR  30           HG1      THR  30  15.667   1.100   3.217
  245   1HG2  THR  30          1HG2      THR  30  18.301   2.708   5.927
  246   2HG2  THR  30          2HG2      THR  30  18.081   3.466   4.323
  247   3HG2  THR  30          3HG2      THR  30  16.761   3.491   5.512
  248    HA   PRO  31           HA       PRO  31  21.050  -1.655   5.868
  249   1HB   PRO  31          1HB       PRO  31  23.451  -0.285   6.290
  250   2HB   PRO  31          2HB       PRO  31  22.902  -0.827   4.699
  251   1HG   PRO  31          1HG       PRO  31  22.542   1.971   5.920
  252   2HG   PRO  31          2HG       PRO  31  23.241   1.564   4.333
  253   1HD   PRO  31          1HD       PRO  31  20.589   2.288   4.558
  254   2HD   PRO  31          2HD       PRO  31  21.067   0.997   3.408
  255    H    TYR  32           H        TYR  32  20.358   1.331   7.521
  256    HA   TYR  32           HA       TYR  32  21.966   0.828   9.912
  257   1HB   TYR  32          1HB       TYR  32  19.588   2.779   9.559
  258   2HB   TYR  32          2HB       TYR  32  20.782   2.865  10.816
  259    HD1  TYR  32           HD1      TYR  32  23.320   3.195  10.110
  260    HD2  TYR  32           HD2      TYR  32  20.002   3.980   7.487
  261    HE1  TYR  32           HE1      TYR  32  24.761   4.604   8.688
  262    HE2  TYR  32           HE2      TYR  32  21.451   5.381   6.082
  263    HH   TYR  32           HH       TYR  32  23.497   6.238   5.806
  Start of MODEL    7
    1   1H    CYS   1          1H        CYS   1 -10.924   0.555 -10.318
    2   2H    CYS   1          2H        CYS   1  -9.777   0.898  -9.221
    3    HA   CYS   1           HA       CYS   1 -12.656   0.420  -8.664
    4   1HB   CYS   1          1HB       CYS   1 -11.321  -1.587  -9.294
    5   2HB   CYS   1          2HB       CYS   1 -10.081  -1.206  -8.089
    6    HG   CYS   1           HG       CYS   1 -11.555  -3.173  -7.225
    7    H    ALA   2           H        ALA   2 -10.042  -0.019  -6.332
    8    HA   ALA   2           HA       ALA   2 -10.504   2.716  -5.043
    9   1HB   ALA   2          1HB       ALA   2 -12.251   1.217  -4.038
   10   2HB   ALA   2          2HB       ALA   2 -11.001   0.044  -3.550
   11   3HB   ALA   2          3HB       ALA   2 -11.035   1.669  -2.827
   12    H    LYS   3           H        LYS   3  -6.873   2.112  -4.633
   13    HA   LYS   3           HA       LYS   3  -8.621   2.687  -6.835
   14   1HB   LYS   3          1HB       LYS   3  -9.183   4.606  -5.008
   15   2HB   LYS   3          2HB       LYS   3  -7.621   5.254  -5.410
   16   1HG   LYS   3          1HG       LYS   3  -9.288   6.470  -6.689
   17   2HG   LYS   3          2HG       LYS   3  -8.380   5.518  -7.851
   18   1HD   LYS   3          1HD       LYS   3 -10.223   3.747  -7.806
   19   2HD   LYS   3          2HD       LYS   3 -11.109   4.701  -6.620
   20   1HE   LYS   3          1HE       LYS   3 -11.370   6.566  -8.345
   21   2HE   LYS   3          2HE       LYS   3 -10.431   5.618  -9.512
   22   1HZ   LYS   3          1HZ       LYS   3 -12.125   3.769  -9.232
   23   2HZ   LYS   3          2HZ       LYS   3 -13.008   4.684  -8.224
   24   3HZ   LYS   3          3HZ       LYS   3 -12.862   5.131  -9.805
   25    H    VAL   4           H        VAL   4  -7.469   3.067  -8.672
   26    HA   VAL   4           HA       VAL   4  -4.428   2.887  -8.503
   27    HB   VAL   4           HB       VAL   4  -5.379   0.828  -9.357
   28   1HG1  VAL   4          1HG1      VAL   4  -7.551   1.517 -10.429
   29   2HG1  VAL   4          2HG1      VAL   4  -6.657   2.299 -11.753
   30   3HG1  VAL   4          3HG1      VAL   4  -6.551   0.544 -11.516
   31   1HG2  VAL   4          1HG2      VAL   4  -3.177   1.610 -10.247
   32   2HG2  VAL   4          2HG2      VAL   4  -4.042   0.602 -11.418
   33   3HG2  VAL   4          3HG2      VAL   4  -3.997   2.368 -11.636
   34    H    LYS   5           H        LYS   5  -4.357   4.966  -8.283
   35    HA   LYS   5           HA       LYS   5  -4.539   6.666 -10.834
   36   1HB   LYS   5          1HB       LYS   5  -5.295   8.610  -9.843
   37   2HB   LYS   5          2HB       LYS   5  -6.378   7.407  -9.229
   38   1HG   LYS   5          1HG       LYS   5  -4.142   8.854  -7.678
   39   2HG   LYS   5          2HG       LYS   5  -5.828   9.206  -7.600
   40   1HD   LYS   5          1HD       LYS   5  -6.353   7.562  -6.116
   41   2HD   LYS   5          2HD       LYS   5  -5.372   6.337  -6.839
   42   1HE   LYS   5          1HE       LYS   5  -4.269   8.607  -5.042
   43   2HE   LYS   5          2HE       LYS   5  -4.664   6.984  -4.478
   44   1HZ   LYS   5          1HZ       LYS   5  -2.706   7.427  -6.738
   45   2HZ   LYS   5          2HZ       LYS   5  -2.199   7.275  -5.164
   46   3HZ   LYS   5          3HZ       LYS   5  -2.943   6.036  -5.977
   47    H    GLY   6           H        GLY   6  -2.535   5.762 -11.139
   48   1HA   GLY   6          1HA       GLY   6  -0.568   5.779  -8.801
   49   2HA   GLY   6          2HA       GLY   6  -0.865   4.481  -9.911
   50    H    ILE   7           H        ILE   7   1.108   7.163  -9.271
   51    HA   ILE   7           HA       ILE   7   2.877   6.448 -11.692
   52    HB   ILE   7           HB       ILE   7   2.462   9.244 -10.448
   53   1HG1  ILE   7          1HG1      ILE   7   1.854   8.323 -13.349
   54   2HG1  ILE   7          2HG1      ILE   7   0.635   8.437 -12.102
   55   1HG2  ILE   7          1HG2      ILE   7   4.890   8.859 -11.176
   56   2HG2  ILE   7          2HG2      ILE   7   4.338   8.352 -12.790
   57   3HG2  ILE   7          3HG2      ILE   7   4.116  10.027 -12.240
   58   1HD1  ILE   7          1HD1      ILE   7   1.056  10.917 -11.821
   59   2HD1  ILE   7          2HD1      ILE   7   2.206  10.852 -13.184
   60   3HD1  ILE   7          3HD1      ILE   7   0.496  10.459 -13.446
   61    H    THR   8           H        THR   8   4.143   5.012 -10.504
   62    HA   THR   8           HA       THR   8   6.049   6.193  -8.425
   63    HB   THR   8           HB       THR   8   4.142   3.835  -7.818
   64    HG1  THR   8           HG1      THR   8   3.873   6.435  -7.557
   65   1HG2  THR   8          1HG2      THR   8   6.304   5.134  -6.000
   66   2HG2  THR   8          2HG2      THR   8   5.090   3.955  -5.467
   67   3HG2  THR   8          3HG2      THR   8   6.350   3.463  -6.620
   68    H    GLN   9           H        GLN   9   5.245   3.106 -10.217
   69    HA   GLN   9           HA       GLN   9   7.962   2.740 -10.925
   70   1HB   GLN   9          1HB       GLN   9   6.881   0.594  -8.969
   71   2HB   GLN   9          2HB       GLN   9   8.228   0.334 -10.050
   72   1HG   GLN   9          1HG       GLN   9   9.551   2.184  -8.889
   73   2HG   GLN   9          2HG       GLN   9   8.214   2.431  -7.790
   74   1HE2  GLN   9          2HE2      GLN   9  10.388  -0.188  -8.886
   75   2HE2  GLN   9          1HE2      GLN   9  10.478  -0.949  -7.211
   76    H    GLY  10           H        GLY  10   6.309   3.254 -12.559
   77   1HA   GLY  10          1HA       GLY  10   4.433   2.870 -13.988
   78   2HA   GLY  10          2HA       GLY  10   4.370   1.169 -13.510
   79    HA   PRO  11           HA       PRO  11   0.854   3.179 -11.011
   80   1HB   PRO  11          1HB       PRO  11  -0.501   0.986 -12.677
   81   2HB   PRO  11          2HB       PRO  11  -1.188   2.512 -12.090
   82   1HG   PRO  11          1HG       PRO  11  -0.386   2.303 -14.688
   83   2HG   PRO  11          2HG       PRO  11  -0.003   3.786 -13.784
   84   1HD   PRO  11          1HD       PRO  11   1.921   1.483 -14.452
   85   2HD   PRO  11          2HD       PRO  11   2.211   3.245 -14.369
   86    H    ASN  12           H        ASN  12   2.248   2.267  -9.462
   87    HA   ASN  12           HA       ASN  12   2.294  -0.643  -8.877
   88   1HB   ASN  12          1HB       ASN  12   4.161   1.215  -8.824
   89   2HB   ASN  12          2HB       ASN  12   3.460   1.741  -7.289
   90   1HD2  ASN  12          2HD2      ASN  12   5.587   1.351  -6.489
   91   2HD2  ASN  12          1HD2      ASN  12   6.166  -0.374  -6.221
   92    H    GLU  13           H        GLU  13  -0.372   0.608  -8.271
   93    HA   GLU  13           HA       GLU  13  -0.949  -0.680  -5.634
   94   1HB   GLU  13          1HB       GLU  13  -1.599   1.367  -4.381
   95   2HB   GLU  13          2HB       GLU  13   0.091   1.346  -4.772
   96   1HG   GLU  13          1HG       GLU  13  -0.499   3.601  -5.040
   97   2HG   GLU  13          2HG       GLU  13  -0.371   3.013  -6.684
   98    HE1  GLU  13           HE1      GLU  13  -4.220   3.312  -5.605
   99    H    SER  14           H        SER  14  -3.023  -1.044  -5.335
  100    HA   SER  14           HA       SER  14  -5.025   0.976  -6.364
  101   1HB   SER  14          1HB       SER  14  -5.614  -0.899  -7.790
  102   2HB   SER  14          2HB       SER  14  -5.663  -2.045  -6.474
  103    HG   SER  14           HG       SER  14  -7.338  -0.543  -5.531
  104    HA   PRO  15           HA       PRO  15  -5.981   0.204  -1.747
  105   1HB   PRO  15          1HB       PRO  15  -5.842  -2.200  -0.476
  106   2HB   PRO  15          2HB       PRO  15  -7.091  -1.919  -1.702
  107   1HG   PRO  15          1HG       PRO  15  -4.326  -3.220  -2.154
  108   2HG   PRO  15          2HG       PRO  15  -5.915  -3.980  -2.475
  109   1HD   PRO  15          1HD       PRO  15  -4.500  -2.673  -4.449
  110   2HD   PRO  15          2HD       PRO  15  -6.291  -2.549  -4.374
  111    H    SER  16           H        SER  16  -3.150   0.041  -2.976
  112    HA   SER  16           HA       SER  16  -0.825   0.234  -2.436
  113   1HB   SER  16          1HB       SER  16  -0.026   0.765  -0.219
  114   2HB   SER  16          2HB       SER  16  -1.476   1.720  -0.498
  115    HG   SER  16           HG       SER  16  -2.614  -0.089   0.613
  116    H    ALA  17           H        ALA  17  -0.965  -1.712   0.396
  117    HA   ALA  17           HA       ALA  17  -0.444  -3.988   0.863
  118   1HB   ALA  17          1HB       ALA  17  -2.872  -4.004   0.053
  119   2HB   ALA  17          2HB       ALA  17  -2.323  -4.399  -1.592
  120   3HB   ALA  17          3HB       ALA  17  -2.066  -5.551  -0.263
  121    H    PHE  18           H        PHE  18  -0.190  -3.878  -2.698
  122    HA   PHE  18           HA       PHE  18   2.282  -5.664  -2.767
  123   1HB   PHE  18          1HB       PHE  18   0.615  -5.599  -4.706
  124   2HB   PHE  18          2HB       PHE  18   0.949  -3.902  -4.946
  125    HD1  PHE  18           HD1      PHE  18   2.509  -7.314  -4.989
  126    HD2  PHE  18           HD2      PHE  18   2.970  -3.215  -6.206
  127    HE1  PHE  18           HE1      PHE  18   4.422  -7.947  -6.416
  128    HE2  PHE  18           HE2      PHE  18   4.868  -3.868  -7.638
  129    HZ   PHE  18           HZ       PHE  18   5.602  -6.223  -7.737
  130    H    LEU  19           H        LEU  19   1.507  -2.233  -3.225
  131    HA   LEU  19           HA       LEU  19   4.185  -1.065  -3.059
  132   1HB   LEU  19          1HB       LEU  19   1.806   0.034  -3.512
  133   2HB   LEU  19          2HB       LEU  19   1.586   0.047  -1.798
  134    HG   LEU  19           HG       LEU  19   3.689   1.510  -1.566
  135   1HD1  LEU  19          1HD1      LEU  19   3.479   1.639  -4.656
  136   2HD1  LEU  19          2HD1      LEU  19   4.491   2.703  -3.643
  137   3HD1  LEU  19          3HD1      LEU  19   4.843   0.974  -3.730
  138   1HD2  LEU  19          1HD2      LEU  19   1.363   2.477  -1.566
  139   2HD2  LEU  19          2HD2      LEU  19   2.523   3.584  -2.329
  140   3HD2  LEU  19          3HD2      LEU  19   1.415   2.631  -3.339
  141    H    GLU  20           H        GLU  20   1.950  -1.737  -0.352
  142    HA   GLU  20           HA       GLU  20   3.858  -1.198   1.731
  143   1HB   GLU  20          1HB       GLU  20   1.307  -2.960   1.603
  144   2HB   GLU  20          2HB       GLU  20   2.151  -2.852   3.092
  145   1HG   GLU  20          1HG       GLU  20   1.891  -0.291   3.071
  146   2HG   GLU  20          2HG       GLU  20   0.908  -0.438   1.618
  147    HE2  GLU  20           HE2      GLU  20  -1.723  -2.034   3.373
  148    H    ARG  21           H        ARG  21   3.269  -4.491   0.276
  149    HA   ARG  21           HA       ARG  21   5.351  -5.861   1.703
  150   1HB   ARG  21          1HB       ARG  21   4.344  -6.064  -1.212
  151   2HB   ARG  21          2HB       ARG  21   5.571  -7.149  -0.603
  152   1HG   ARG  21          1HG       ARG  21   4.119  -8.155   1.062
  153   2HG   ARG  21          2HG       ARG  21   2.883  -6.925   0.866
  154   1HD   ARG  21          1HD       ARG  21   2.473  -7.704  -1.543
  155   2HD   ARG  21          2HD       ARG  21   3.730  -8.907  -1.352
  156    HE   ARG  21           HE       ARG  21   2.250 -10.313  -0.095
  157   1HH1  ARG  21          1HH1      ARG  21   0.837  -7.113  -0.173
  158   2HH1  ARG  21          2HH1      ARG  21  -0.771  -7.759   0.414
  159   1HH2  ARG  21          1HH2      ARG  21   0.412 -10.977   0.574
  160   2HH2  ARG  21          2HH2      ARG  21  -0.979  -9.830   0.816
  161    H    LEU  22           H        LEU  22   5.697  -3.749  -1.218
  162    HA   LEU  22           HA       LEU  22   8.594  -3.902  -1.353
  163   1HB   LEU  22          1HB       LEU  22   6.588  -1.791  -2.369
  164   2HB   LEU  22          2HB       LEU  22   8.290  -1.734  -2.735
  165    HG   LEU  22           HG       LEU  22   6.452  -4.057  -3.580
  166   1HD1  LEU  22          1HD1      LEU  22   5.814  -1.932  -4.706
  167   2HD1  LEU  22          2HD1      LEU  22   7.507  -1.652  -5.211
  168   3HD1  LEU  22          3HD1      LEU  22   6.581  -3.026  -5.865
  169   1HD2  LEU  22          1HD2      LEU  22   9.364  -3.383  -4.420
  170   2HD2  LEU  22          2HD2      LEU  22   8.854  -4.789  -3.456
  171   3HD2  LEU  22          3HD2      LEU  22   8.350  -4.653  -5.147
  172    H    LYS  23           H        LYS  23   6.392  -1.638   0.456
  173    HA   LYS  23           HA       LYS  23   8.649   0.084   1.461
  174   1HB   LYS  23          1HB       LYS  23   5.778  -0.405   2.500
  175   2HB   LYS  23          2HB       LYS  23   6.877   0.734   3.241
  176   1HG   LYS  23          1HG       LYS  23   6.974   2.179   1.260
  177   2HG   LYS  23          2HG       LYS  23   6.172   0.992   0.263
  178   1HD   LYS  23          1HD       LYS  23   4.560   2.685   0.738
  179   2HD   LYS  23          2HD       LYS  23   4.043   1.216   1.545
  180   1HE   LYS  23          1HE       LYS  23   4.961   2.126   3.767
  181   2HE   LYS  23          2HE       LYS  23   5.508   3.583   2.939
  182   1HZ   LYS  23          1HZ       LYS  23   2.620   2.680   3.070
  183   2HZ   LYS  23          2HZ       LYS  23   3.247   3.925   3.937
  184   3HZ   LYS  23          3HZ       LYS  23   3.130   4.036   2.304
  185    H    GLU  24           H        GLU  24   7.069  -2.866   2.806
  186    HA   GLU  24           HA       GLU  24   8.646  -2.951   5.245
  187   1HB   GLU  24          1HB       GLU  24   6.385  -4.289   4.314
  188   2HB   GLU  24          2HB       GLU  24   7.557  -5.512   3.925
  189   1HG   GLU  24          1HG       GLU  24   7.039  -4.227   6.705
  190   2HG   GLU  24          2HG       GLU  24   6.348  -5.736   6.149
  191    HE2  GLU  24           HE2      GLU  24   9.002  -6.443   8.428
  192    H    ALA  25           H        ALA  25   9.183  -4.457   2.008
  193    HA   ALA  25           HA       ALA  25  11.827  -5.522   2.569
  194   1HB   ALA  25          1HB       ALA  25  10.360  -6.189   0.603
  195   2HB   ALA  25          2HB       ALA  25  10.546  -4.559  -0.091
  196   3HB   ALA  25          3HB       ALA  25  11.952  -5.637   0.045
  197    H    TYR  26           H        TYR  26  11.003  -2.307   1.015
  198    HA   TYR  26           HA       TYR  26  13.723  -1.434   0.959
  199   1HB   TYR  26          1HB       TYR  26  11.156   0.281   1.064
  200   2HB   TYR  26          2HB       TYR  26  12.716   0.864   0.532
  201    HD1  TYR  26           HD1      TYR  26  12.885  -2.118  -1.222
  202    HD2  TYR  26           HD2      TYR  26  10.442   1.424  -1.040
  203    HE1  TYR  26           HE1      TYR  26  12.151  -2.490  -3.535
  204    HE2  TYR  26           HE2      TYR  26   9.734   1.038  -3.362
  205    HH   TYR  26           HH       TYR  26   9.886  -0.293  -5.180
  206    H    ARG  27           H        ARG  27  11.412  -0.990   3.647
  207    HA   ARG  27           HA       ARG  27  13.337   0.644   5.304
  208   1HB   ARG  27          1HB       ARG  27  10.711   0.529   5.490
  209   2HB   ARG  27          2HB       ARG  27  10.913  -1.086   6.128
  210   1HG   ARG  27          1HG       ARG  27  10.677   0.095   8.080
  211   2HG   ARG  27          2HG       ARG  27  12.414   0.052   8.016
  212   1HD   ARG  27          1HD       ARG  27  10.559   2.398   7.202
  213   2HD   ARG  27          2HD       ARG  27  11.451   2.316   8.693
  214    HE   ARG  27           HE       ARG  27  12.496   3.205   6.053
  215   1HH1  ARG  27          1HH1      ARG  27  13.552   1.806   9.041
  216   2HH1  ARG  27          2HH1      ARG  27  15.251   2.483   8.867
  217   1HH2  ARG  27          1HH2      ARG  27  14.434   3.862   5.801
  218   2HH2  ARG  27          2HH2      ARG  27  15.745   3.368   6.961
  219    H    ARG  28           H        ARG  28  15.025  -0.964   4.468
  220    HA   ARG  28           HA       ARG  28  15.896  -2.783   6.589
  221   1HB   ARG  28          1HB       ARG  28  15.402  -3.977   3.762
  222   2HB   ARG  28          2HB       ARG  28  16.242  -4.793   5.064
  223   1HG   ARG  28          1HG       ARG  28  14.028  -4.756   6.422
  224   2HG   ARG  28          2HG       ARG  28  13.255  -4.107   4.978
  225   1HD   ARG  28          1HD       ARG  28  14.141  -6.142   3.655
  226   2HD   ARG  28          2HD       ARG  28  14.737  -6.808   5.191
  227    HE   ARG  28           HE       ARG  28  11.818  -6.080   5.277
  228   1HH1  ARG  28          1HH1      ARG  28  13.989  -8.579   4.186
  229   2HH1  ARG  28          2HH1      ARG  28  12.655  -9.831   4.145
  230   1HH2  ARG  28          1HH2      ARG  28  10.349  -7.548   5.309
  231   2HH2  ARG  28          2HH2      ARG  28  10.696  -9.253   4.734
  232    H    TYR  29           H        TYR  29  16.552  -1.946   3.082
  233    HA   TYR  29           HA       TYR  29  19.451  -2.435   3.320
  234   1HB   TYR  29          1HB       TYR  29  19.639  -1.355   1.118
  235   2HB   TYR  29          2HB       TYR  29  18.382  -2.531   1.162
  236    HD1  TYR  29           HD1      TYR  29  18.946   1.222   1.216
  237    HD2  TYR  29           HD2      TYR  29  16.232  -1.976   0.250
  238    HE1  TYR  29           HE1      TYR  29  17.471   2.811   0.067
  239    HE2  TYR  29           HE2      TYR  29  14.802  -0.372  -0.954
  240    HH   TYR  29           HH       TYR  29  15.585   3.070  -1.118
  241    H    THR  30           H        THR  30  17.697   0.605   3.874
  242    HA   THR  30           HA       THR  30  20.261   1.630   5.241
  243    HB   THR  30           HB       THR  30  19.885   3.190   3.557
  244    HG1  THR  30           HG1      THR  30  18.717   4.417   5.825
  245   1HG2  THR  30          1HG2      THR  30  17.379   3.015   3.026
  246   2HG2  THR  30          2HG2      THR  30  16.996   3.766   4.592
  247   3HG2  THR  30          3HG2      THR  30  17.868   4.688   3.351
  248    HA   PRO  31           HA       PRO  31  17.354   0.531   8.787
  249   1HB   PRO  31          1HB       PRO  31  20.041   1.185  10.136
  250   2HB   PRO  31          2HB       PRO  31  18.879  -0.091  10.547
  251   1HG   PRO  31          1HG       PRO  31  21.105  -0.759   9.144
  252   2HG   PRO  31          2HG       PRO  31  19.545  -1.436   8.620
  253   1HD   PRO  31          1HD       PRO  31  21.048   0.950   7.393
  254   2HD   PRO  31          2HD       PRO  31  20.230  -0.414   6.571
  255    H    TYR  32           H        TYR  32  19.573   3.265   8.577
  256    HA   TYR  32           HA       TYR  32  17.733   5.104  10.196
  257   1HB   TYR  32          1HB       TYR  32  20.426   5.681   8.770
  258   2HB   TYR  32          2HB       TYR  32  19.516   6.857   9.672
  259    HD1  TYR  32           HD1      TYR  32  19.023   6.382  12.222
  260    HD2  TYR  32           HD2      TYR  32  22.042   4.307   9.967
  261    HE1  TYR  32           HE1      TYR  32  20.164   5.745  14.314
  262    HE2  TYR  32           HE2      TYR  32  23.170   3.685  12.060
  263    HH   TYR  32           HH       TYR  32  23.120   3.783  14.288
  Start of MODEL    8
    1   1H    CYS   1          1H        CYS   1  10.096  17.315  -6.390
    2   2H    CYS   1          2H        CYS   1   9.293  18.114  -7.551
    3    HA   CYS   1           HA       CYS   1   8.136  17.109  -5.003
    4   1HB   CYS   1          1HB       CYS   1   9.700  19.031  -4.773
    5   2HB   CYS   1          2HB       CYS   1   8.865  19.936  -6.042
    6    HG   CYS   1           HG       CYS   1   7.750  18.898  -3.086
    7    H    ALA   2           H        ALA   2   6.892  19.833  -6.923
    8    HA   ALA   2           HA       ALA   2   4.282  18.313  -7.402
    9   1HB   ALA   2          1HB       ALA   2   4.255  20.581  -6.328
   10   2HB   ALA   2          2HB       ALA   2   5.038  21.294  -7.766
   11   3HB   ALA   2          3HB       ALA   2   3.410  20.599  -7.888
   12    H    LYS   3           H        LYS   3   5.185  16.888  -8.995
   13    HA   LYS   3           HA       LYS   3   4.597  17.678 -11.652
   14   1HB   LYS   3          1HB       LYS   3   6.983  18.704 -11.503
   15   2HB   LYS   3          2HB       LYS   3   7.629  17.083 -11.349
   16   1HG   LYS   3          1HG       LYS   3   6.675  16.530 -13.676
   17   2HG   LYS   3          2HG       LYS   3   5.937  18.112 -13.736
   18   1HD   LYS   3          1HD       LYS   3   7.909  18.260 -15.096
   19   2HD   LYS   3          2HD       LYS   3   8.161  19.242 -13.681
   20   1HE   LYS   3          1HE       LYS   3  10.254  18.118 -14.154
   21   2HE   LYS   3          2HE       LYS   3   9.639  17.453 -12.650
   22   1HZ   LYS   3          1HZ       LYS   3   9.304  16.130 -15.354
   23   2HZ   LYS   3          2HZ       LYS   3  10.377  15.639 -14.207
   24   3HZ   LYS   3          3HZ       LYS   3   8.761  15.505 -13.940
   25    H    VAL   4           H        VAL   4   3.395  15.968 -11.842
   26    HA   VAL   4           HA       VAL   4   2.566  13.730 -11.978
   27    HB   VAL   4           HB       VAL   4   3.714  14.481 -14.109
   28   1HG1  VAL   4          1HG1      VAL   4   6.181  14.247 -13.516
   29   2HG1  VAL   4          2HG1      VAL   4   5.997  12.485 -13.535
   30   3HG1  VAL   4          3HG1      VAL   4   5.722  13.424 -15.016
   31   1HG2  VAL   4          1HG2      VAL   4   2.202  12.511 -14.076
   32   2HG2  VAL   4          2HG2      VAL   4   3.486  12.324 -15.282
   33   3HG2  VAL   4          3HG2      VAL   4   3.580  11.434 -13.746
   34    H    LYS   5           H        LYS   5   2.888  13.327  -9.668
   35    HA   LYS   5           HA       LYS   5   3.195  10.476  -9.711
   36   1HB   LYS   5          1HB       LYS   5   4.655  10.007  -7.787
   37   2HB   LYS   5          2HB       LYS   5   5.533  10.558  -9.175
   38   1HG   LYS   5          1HG       LYS   5   4.931  12.423  -6.776
   39   2HG   LYS   5          2HG       LYS   5   6.289  11.312  -6.800
   40   1HD   LYS   5          1HD       LYS   5   7.155  12.377  -8.940
   41   2HD   LYS   5          2HD       LYS   5   5.814  13.514  -8.890
   42   1HE   LYS   5          1HE       LYS   5   6.594  14.401  -6.649
   43   2HE   LYS   5          2HE       LYS   5   7.980  13.302  -6.683
   44   1HZ   LYS   5          1HZ       LYS   5   7.409  15.185  -8.973
   45   2HZ   LYS   5          2HZ       LYS   5   8.373  15.659  -7.718
   46   3HZ   LYS   5          3HZ       LYS   5   8.814  14.401  -8.699
   47    H    GLY   6           H        GLY   6   1.021  11.275  -9.526
   48   1HA   GLY   6          1HA       GLY   6  -0.066  11.826  -6.757
   49   2HA   GLY   6          2HA       GLY   6   0.149  13.247  -7.770
   50    H    ILE   7           H        ILE   7  -1.648  10.258  -7.458
   51    HA   ILE   7           HA       ILE   7  -3.592  10.876  -9.636
   52    HB   ILE   7           HB       ILE   7  -3.988   8.978  -7.217
   53   1HG1  ILE   7          1HG1      ILE   7  -2.013   8.173  -8.390
   54   2HG1  ILE   7          2HG1      ILE   7  -3.344   7.104  -8.711
   55   1HG2  ILE   7          1HG2      ILE   7  -5.437   9.089  -9.970
   56   2HG2  ILE   7          2HG2      ILE   7  -5.653   7.818  -8.749
   57   3HG2  ILE   7          3HG2      ILE   7  -6.157   9.474  -8.393
   58   1HD1  ILE   7          1HD1      ILE   7  -2.208   9.197 -10.706
   59   2HD1  ILE   7          2HD1      ILE   7  -1.954   7.441 -10.754
   60   3HD1  ILE   7          3HD1      ILE   7  -3.572   8.103 -11.063
   61    H    THR   8           H        THR   8  -5.205  12.276  -9.590
   62    HA   THR   8           HA       THR   8  -5.359  14.273  -7.584
   63    HB   THR   8           HB       THR   8  -7.349  13.748  -9.882
   64    HG1  THR   8           HG1      THR   8  -5.810  15.432 -10.769
   65   1HG2  THR   8          1HG2      THR   8  -8.095  15.660  -8.367
   66   2HG2  THR   8          2HG2      THR   8  -6.505  16.437  -8.561
   67   3HG2  THR   8          3HG2      THR   8  -7.599  16.257  -9.957
   68    H    GLN   9           H        GLN   9  -6.068  13.819  -5.624
   69    HA   GLN   9           HA       GLN   9  -7.548  13.515  -3.739
   70   1HB   GLN   9          1HB       GLN   9  -8.378  15.626  -5.104
   71   2HB   GLN   9          2HB       GLN   9  -9.635  14.589  -5.764
   72   1HG   GLN   9          1HG       GLN   9 -10.456  14.180  -3.326
   73   2HG   GLN   9          2HG       GLN   9  -9.196  15.260  -2.763
   74   1HE2  GLN   9          2HE2      GLN   9 -12.237  15.125  -4.514
   75   2HE2  GLN   9          1HE2      GLN   9 -12.521  16.944  -4.378
   76    H    GLY  10           H        GLY  10  -8.692  10.907  -3.178
   77   1HA   GLY  10          1HA       GLY  10  -6.504  10.965  -5.323
   78   2HA   GLY  10          2HA       GLY  10  -6.188  11.363  -3.641
   79    HA   PRO  11           HA       PRO  11  -6.329   6.528  -3.664
   80   1HB   PRO  11          1HB       PRO  11  -7.190   5.077  -5.832
   81   2HB   PRO  11          2HB       PRO  11  -8.315   5.858  -4.712
   82   1HG   PRO  11          1HG       PRO  11  -7.345   6.933  -7.417
   83   2HG   PRO  11          2HG       PRO  11  -9.026   6.766  -6.865
   84   1HD   PRO  11          1HD       PRO  11  -7.668   9.179  -6.643
   85   2HD   PRO  11          2HD       PRO  11  -8.852   8.665  -5.411
   86    H    ASN  12           H        ASN  12  -4.193   7.784  -3.928
   87    HA   ASN  12           HA       ASN  12  -2.390   6.735  -6.160
   88   1HB   ASN  12          1HB       ASN  12  -2.461   9.178  -5.246
   89   2HB   ASN  12          2HB       ASN  12  -1.734   8.598  -3.764
   90   1HD2  ASN  12          2HD2      ASN  12   0.487   7.654  -4.039
   91   2HD2  ASN  12          1HD2      ASN  12   1.497   8.365  -5.409
   92    H    GLU  13           H        GLU  13  -3.086   4.637  -5.188
   93    HA   GLU  13           HA       GLU  13  -2.815   2.588  -3.944
   94   1HB   GLU  13          1HB       GLU  13   0.068   3.670  -4.001
   95   2HB   GLU  13          2HB       GLU  13  -0.257   2.339  -2.947
   96   1HG   GLU  13          1HG       GLU  13  -1.105   2.141  -5.904
   97   2HG   GLU  13          2HG       GLU  13   0.551   1.873  -5.406
   98    HE1  GLU  13           HE1      GLU  13  -2.020  -0.770  -3.830
   99    H    SER  14           H        SER  14  -4.164   4.471  -2.700
  100    HA   SER  14           HA       SER  14  -3.475   4.963   0.089
  101   1HB   SER  14          1HB       SER  14  -5.280   6.137  -1.170
  102   2HB   SER  14          2HB       SER  14  -6.262   4.669  -1.247
  103    HG   SER  14           HG       SER  14  -6.779   6.110   0.515
  104    HA   PRO  15           HA       PRO  15  -5.045   0.622   1.631
  105   1HB   PRO  15          1HB       PRO  15  -5.795  -1.334  -0.188
  106   2HB   PRO  15          2HB       PRO  15  -6.932  -0.163   0.497
  107   1HG   PRO  15          1HG       PRO  15  -5.497   0.011  -2.212
  108   2HG   PRO  15          2HG       PRO  15  -7.242   0.179  -1.902
  109   1HD   PRO  15          1HD       PRO  15  -5.623   2.380  -2.144
  110   2HD   PRO  15          2HD       PRO  15  -6.963   2.387  -0.960
  111    H    SER  16           H        SER  16  -3.097   1.070  -1.191
  112    HA   SER  16           HA       SER  16  -0.867   0.368  -1.807
  113   1HB   SER  16          1HB       SER  16  -0.895   0.371   1.278
  114   2HB   SER  16          2HB       SER  16   0.546  -0.118   0.417
  115    HG   SER  16           HG       SER  16  -0.793   2.308  -0.286
  116    H    ALA  17           H        ALA  17  -1.274  -2.059   0.733
  117    HA   ALA  17           HA       ALA  17  -0.544  -4.330   0.799
  118   1HB   ALA  17          1HB       ALA  17  -2.954  -4.295  -0.014
  119   2HB   ALA  17          2HB       ALA  17  -2.410  -4.261  -1.707
  120   3HB   ALA  17          3HB       ALA  17  -2.094  -5.690  -0.696
  121    H    PHE  18           H        PHE  18  -0.365  -3.858  -2.749
  122    HA   PHE  18           HA       PHE  18   2.177  -5.495  -2.983
  123   1HB   PHE  18          1HB       PHE  18   0.472  -5.358  -4.860
  124   2HB   PHE  18          2HB       PHE  18   0.688  -3.628  -4.969
  125    HD1  PHE  18           HD1      PHE  18   2.502  -6.918  -5.385
  126    HD2  PHE  18           HD2      PHE  18   2.490  -2.721  -6.329
  127    HE1  PHE  18           HE1      PHE  18   4.354  -7.260  -6.978
  128    HE2  PHE  18           HE2      PHE  18   4.336  -3.081  -7.917
  129    HZ   PHE  18           HZ       PHE  18   5.276  -5.344  -8.238
  130    H    LEU  19           H        LEU  19   1.367  -2.034  -3.089
  131    HA   LEU  19           HA       LEU  19   4.104  -0.927  -2.953
  132   1HB   LEU  19          1HB       LEU  19   1.635   0.182  -3.225
  133   2HB   LEU  19          2HB       LEU  19   1.659   0.290  -1.520
  134    HG   LEU  19           HG       LEU  19   2.208   2.385  -2.612
  135   1HD1  LEU  19          1HD1      LEU  19   3.186   1.954  -0.334
  136   2HD1  LEU  19          2HD1      LEU  19   4.716   1.449  -1.098
  137   3HD1  LEU  19          3HD1      LEU  19   4.128   3.113  -1.295
  138   1HD2  LEU  19          1HD2      LEU  19   3.355   1.506  -4.678
  139   2HD2  LEU  19          2HD2      LEU  19   4.251   2.825  -3.898
  140   3HD2  LEU  19          3HD2      LEU  19   4.808   1.150  -3.713
  141    H    GLU  20           H        GLU  20   1.901  -1.938  -0.282
  142    HA   GLU  20           HA       GLU  20   3.833  -1.363   1.798
  143   1HB   GLU  20          1HB       GLU  20   1.134  -1.985   1.832
  144   2HB   GLU  20          2HB       GLU  20   1.689  -3.600   2.078
  145   1HG   GLU  20          1HG       GLU  20   2.165  -1.169   3.927
  146   2HG   GLU  20          2HG       GLU  20   1.075  -2.511   4.212
  147    HE2  GLU  20           HE2      GLU  20   3.729  -4.791   4.908
  148    H    ARG  21           H        ARG  21   3.119  -4.533   0.264
  149    HA   ARG  21           HA       ARG  21   5.189  -6.098   1.459
  150   1HB   ARG  21          1HB       ARG  21   3.296  -6.762  -0.167
  151   2HB   ARG  21          2HB       ARG  21   4.237  -6.157  -1.503
  152   1HG   ARG  21          1HG       ARG  21   5.418  -8.349   0.350
  153   2HG   ARG  21          2HG       ARG  21   4.102  -8.747  -0.710
  154   1HD   ARG  21          1HD       ARG  21   5.982  -9.420  -1.927
  155   2HD   ARG  21          2HD       ARG  21   5.446  -7.935  -2.738
  156    HE   ARG  21           HE       ARG  21   7.370  -7.085  -0.753
  157   1HH1  ARG  21          1HH1      ARG  21   7.451  -9.047  -3.626
  158   2HH1  ARG  21          2HH1      ARG  21   9.195  -8.601  -3.962
  159   1HH2  ARG  21          1HH2      ARG  21   9.293  -6.624  -1.134
  160   2HH2  ARG  21          2HH2      ARG  21  10.189  -7.268  -2.591
  161    H    LEU  22           H        LEU  22   5.575  -3.787  -1.293
  162    HA   LEU  22           HA       LEU  22   8.471  -4.078  -1.483
  163   1HB   LEU  22          1HB       LEU  22   6.537  -1.844  -2.359
  164   2HB   LEU  22          2HB       LEU  22   8.229  -1.863  -2.781
  165    HG   LEU  22           HG       LEU  22   6.282  -4.089  -3.638
  166   1HD1  LEU  22          1HD1      LEU  22   7.241  -1.606  -5.217
  167   2HD1  LEU  22          2HD1      LEU  22   6.294  -2.958  -5.883
  168   3HD1  LEU  22          3HD1      LEU  22   5.584  -1.921  -4.638
  169   1HD2  LEU  22          1HD2      LEU  22   9.137  -3.383  -4.637
  170   2HD2  LEU  22          2HD2      LEU  22   8.697  -4.818  -3.682
  171   3HD2  LEU  22          3HD2      LEU  22   8.078  -4.634  -5.332
  172    H    LYS  23           H        LYS  23   6.358  -1.851   0.481
  173    HA   LYS  23           HA       LYS  23   8.545   0.017   1.222
  174   1HB   LYS  23          1HB       LYS  23   6.004   0.457   1.198
  175   2HB   LYS  23          2HB       LYS  23   5.845  -0.637   2.561
  176   1HG   LYS  23          1HG       LYS  23   7.484   1.017   3.848
  177   2HG   LYS  23          2HG       LYS  23   7.299   2.081   2.471
  178   1HD   LYS  23          1HD       LYS  23   5.739   2.847   4.099
  179   2HD   LYS  23          2HD       LYS  23   4.758   2.092   2.850
  180   1HE   LYS  23          1HE       LYS  23   4.528  -0.014   4.282
  181   2HE   LYS  23          2HE       LYS  23   5.621   0.661   5.485
  182   1HZ   LYS  23          1HZ       LYS  23   3.990   2.524   5.831
  183   2HZ   LYS  23          2HZ       LYS  23   2.971   1.902   4.711
  184   3HZ   LYS  23          3HZ       LYS  23   3.253   1.082   6.113
  185    H    GLU  24           H        GLU  24   7.149  -2.822   2.951
  186    HA   GLU  24           HA       GLU  24   8.843  -2.581   5.312
  187   1HB   GLU  24          1HB       GLU  24   7.978  -4.803   5.895
  188   2HB   GLU  24          2HB       GLU  24   6.694  -3.781   5.314
  189   1HG   GLU  24          1HG       GLU  24   6.968  -5.039   2.987
  190   2HG   GLU  24          2HG       GLU  24   7.999  -6.166   3.847
  191    HE2  GLU  24           HE2      GLU  24   5.109  -7.942   4.176
  192    H    ALA  25           H        ALA  25   9.357  -4.310   2.244
  193    HA   ALA  25           HA       ALA  25  11.978  -5.414   2.883
  194   1HB   ALA  25          1HB       ALA  25  10.606  -6.227   0.955
  195   2HB   ALA  25          2HB       ALA  25  10.657  -4.617   0.184
  196   3HB   ALA  25          3HB       ALA  25  12.138  -5.583   0.335
  197    H    TYR  26           H        TYR  26  11.216  -2.388   0.934
  198    HA   TYR  26           HA       TYR  26  13.847  -1.343   0.934
  199   1HB   TYR  26          1HB       TYR  26  11.164   0.195   1.053
  200   2HB   TYR  26          2HB       TYR  26  12.678   0.970   0.678
  201    HD1  TYR  26           HD1      TYR  26  14.060  -0.737  -1.299
  202    HD2  TYR  26           HD2      TYR  26   9.891   0.275  -0.948
  203    HE1  TYR  26           HE1      TYR  26  13.769  -1.069  -3.709
  204    HE2  TYR  26           HE2      TYR  26   9.628  -0.029  -3.377
  205    HH   TYR  26           HH       TYR  26  12.354  -0.998  -5.425
  206    H    ARG  27           H        ARG  27  11.432  -0.726   3.554
  207    HA   ARG  27           HA       ARG  27  13.278   0.926   5.205
  208   1HB   ARG  27          1HB       ARG  27  10.772   0.884   5.447
  209   2HB   ARG  27          2HB       ARG  27  10.811  -0.799   5.934
  210   1HG   ARG  27          1HG       ARG  27  10.410   0.625   7.845
  211   2HG   ARG  27          2HG       ARG  27  11.906  -0.225   8.096
  212   1HD   ARG  27          1HD       ARG  27  11.807   2.702   7.056
  213   2HD   ARG  27          2HD       ARG  27  11.739   2.289   8.778
  214    HE   ARG  27           HE       ARG  27  14.061   0.929   7.543
  215   1HH1  ARG  27          1HH1      ARG  27  13.079   4.095   8.668
  216   2HH1  ARG  27          2HH1      ARG  27  14.830   4.600   8.930
  217   1HH2  ARG  27          1HH2      ARG  27  16.029   1.583   7.820
  218   2HH2  ARG  27          2HH2      ARG  27  16.344   3.224   8.541
  219    H    ARG  28           H        ARG  28  12.930  -2.724   5.014
  220    HA   ARG  28           HA       ARG  28  14.666  -3.265   7.263
  221   1HB   ARG  28          1HB       ARG  28  12.987  -4.835   6.095
  222   2HB   ARG  28          2HB       ARG  28  14.063  -4.909   4.702
  223   1HG   ARG  28          1HG       ARG  28  15.858  -5.956   6.176
  224   2HG   ARG  28          2HG       ARG  28  14.794  -5.805   7.574
  225   1HD   ARG  28          1HD       ARG  28  13.082  -7.315   6.408
  226   2HD   ARG  28          2HD       ARG  28  14.155  -7.456   5.027
  227    HE   ARG  28           HE       ARG  28  14.944  -8.318   7.895
  228   1HH1  ARG  28          1HH1      ARG  28  15.043  -9.082   4.452
  229   2HH1  ARG  28          2HH1      ARG  28  15.872 -10.665   4.813
  230   1HH2  ARG  28          1HH2      ARG  28  15.912 -10.101   8.187
  231   2HH2  ARG  28          2HH2      ARG  28  16.357 -11.182   6.793
  232    H    TYR  29           H        TYR  29  15.334  -2.766   3.774
  233    HA   TYR  29           HA       TYR  29  18.349  -3.055   4.261
  234   1HB   TYR  29          1HB       TYR  29  16.911  -2.630   1.578
  235   2HB   TYR  29          2HB       TYR  29  18.508  -3.279   1.833
  236    HD1  TYR  29           HD1      TYR  29  18.225  -5.478   3.781
  237    HD2  TYR  29           HD2      TYR  29  15.448  -4.261   0.732
  238    HE1  TYR  29           HE1      TYR  29  16.999  -7.574   4.050
  239    HE2  TYR  29           HE2      TYR  29  14.244  -6.363   0.991
  240    HH   TYR  29           HH       TYR  29  14.246  -8.384   1.941
  241    H    THR  30           H        THR  30  16.594  -0.465   4.788
  242    HA   THR  30           HA       THR  30  18.456   1.544   3.398
  243    HB   THR  30           HB       THR  30  15.855   2.114   4.909
  244    HG1  THR  30           HG1      THR  30  15.423   1.145   2.923
  245   1HG2  THR  30          1HG2      THR  30  17.560   4.003   3.141
  246   2HG2  THR  30          2HG2      THR  30  15.985   4.394   3.862
  247   3HG2  THR  30          3HG2      THR  30  17.389   4.131   4.915
  248    HA   PRO  31           HA       PRO  31  20.329   1.377   7.616
  249   1HB   PRO  31          1HB       PRO  31  22.413   3.190   7.303
  250   2HB   PRO  31          2HB       PRO  31  22.357   1.635   6.460
  251   1HG   PRO  31          1HG       PRO  31  21.508   4.371   5.355
  252   2HG   PRO  31          2HG       PRO  31  22.602   3.188   4.599
  253   1HD   PRO  31          1HD       PRO  31  19.901   3.329   3.943
  254   2HD   PRO  31          2HD       PRO  31  20.756   1.755   3.949
  255    H    TYR  32           H        TYR  32  19.087   4.461   6.493
  256    HA   TYR  32           HA       TYR  32  19.493   5.980   8.977
  257   1HB   TYR  32          1HB       TYR  32  17.428   6.444   6.711
  258   2HB   TYR  32          2HB       TYR  32  17.826   7.603   7.941
  259    HD1  TYR  32           HD1      TYR  32  20.293   8.477   8.116
  260    HD2  TYR  32           HD2      TYR  32  18.786   6.372   4.678
  261    HE1  TYR  32           HE1      TYR  32  22.148   9.357   6.748
  262    HE2  TYR  32           HE2      TYR  32  20.637   7.262   3.331
  263    HH   TYR  32           HH       TYR  32  22.448   8.553   3.305
  Start of MODEL    9
    1   1H    CYS   1          1H        CYS   1 -12.825 -16.764  -5.711
    2   2H    CYS   1          2H        CYS   1 -12.387 -17.490  -4.322
    3    HA   CYS   1           HA       CYS   1 -14.139 -15.872  -3.966
    4   1HB   CYS   1          1HB       CYS   1 -11.402 -15.308  -2.615
    5   2HB   CYS   1          2HB       CYS   1 -12.954 -14.708  -2.029
    6    HG   CYS   1           HG       CYS   1 -11.812 -17.792  -2.260
    7    H    ALA   2           H        ALA   2 -14.952 -14.183  -5.124
    8    HA   ALA   2           HA       ALA   2 -13.169 -12.021  -6.341
    9   1HB   ALA   2          1HB       ALA   2 -14.988 -13.169  -7.677
   10   2HB   ALA   2          2HB       ALA   2 -16.221 -12.575  -6.526
   11   3HB   ALA   2          3HB       ALA   2 -15.294 -11.432  -7.518
   12    H    LYS   3           H        LYS   3 -13.140 -11.869  -3.546
   13    HA   LYS   3           HA       LYS   3 -13.647  -9.134  -3.133
   14   1HB   LYS   3          1HB       LYS   3 -16.128 -10.366  -2.735
   15   2HB   LYS   3          2HB       LYS   3 -15.500 -10.578  -1.136
   16   1HG   LYS   3          1HG       LYS   3 -16.779  -8.578  -1.080
   17   2HG   LYS   3          2HG       LYS   3 -15.116  -8.002  -1.028
   18   1HD   LYS   3          1HD       LYS   3 -15.158  -7.371  -3.413
   19   2HD   LYS   3          2HD       LYS   3 -16.659  -8.244  -3.704
   20   1HE   LYS   3          1HE       LYS   3 -17.942  -6.630  -2.236
   21   2HE   LYS   3          2HE       LYS   3 -16.449  -5.759  -1.851
   22   1HZ   LYS   3          1HZ       LYS   3 -17.356  -6.123  -4.717
   23   2HZ   LYS   3          2HZ       LYS   3 -17.734  -4.770  -3.860
   24   3HZ   LYS   3          3HZ       LYS   3 -16.175  -5.116  -4.166
   25    H    VAL   4           H        VAL   4 -13.524 -12.095  -1.163
   26    HA   VAL   4           HA       VAL   4 -11.578 -10.727   0.804
   27    HB   VAL   4           HB       VAL   4 -13.143 -13.359   1.166
   28   1HG1  VAL   4          1HG1      VAL   4 -11.049 -13.312   2.576
   29   2HG1  VAL   4          2HG1      VAL   4 -11.507 -11.729   3.243
   30   3HG1  VAL   4          3HG1      VAL   4 -12.482 -13.177   3.592
   31   1HG2  VAL   4          1HG2      VAL   4 -13.727 -10.583   2.437
   32   2HG2  VAL   4          2HG2      VAL   4 -14.762 -11.429   1.266
   33   3HG2  VAL   4          3HG2      VAL   4 -14.535 -12.108   2.881
   34    H    LYS   5           H        LYS   5 -10.157 -10.840  -1.122
   35    HA   LYS   5           HA       LYS   5  -8.049 -12.332  -0.005
   36   1HB   LYS   5          1HB       LYS   5  -7.082 -13.611  -1.840
   37   2HB   LYS   5          2HB       LYS   5  -8.627 -14.283  -1.388
   38   1HG   LYS   5          1HG       LYS   5  -9.708 -13.335  -3.441
   39   2HG   LYS   5          2HG       LYS   5  -8.220 -12.504  -3.887
   40   1HD   LYS   5          1HD       LYS   5  -7.003 -14.747  -3.959
   41   2HD   LYS   5          2HD       LYS   5  -8.502 -15.588  -3.637
   42   1HE   LYS   5          1HE       LYS   5  -8.038 -13.727  -6.092
   43   2HE   LYS   5          2HE       LYS   5  -7.676 -15.450  -6.107
   44   1HZ   LYS   5          1HZ       LYS   5 -10.086 -15.907  -5.556
   45   2HZ   LYS   5          2HZ       LYS   5 -10.439 -14.331  -5.541
   46   3HZ   LYS   5          3HZ       LYS   5  -9.985 -15.048  -6.956
   47    H    GLY   6           H        GLY   6  -8.679  -9.773  -0.174
   48   1HA   GLY   6          1HA       GLY   6  -7.979  -7.634  -0.753
   49   2HA   GLY   6          2HA       GLY   6  -6.637  -8.324  -1.688
   50    H    ILE   7           H        ILE   7 -10.215  -8.312  -2.100
   51    HA   ILE   7           HA       ILE   7  -9.937  -6.687  -4.691
   52    HB   ILE   7           HB       ILE   7 -11.591  -9.254  -4.242
   53   1HG1  ILE   7          1HG1      ILE   7  -9.578  -8.607  -6.509
   54   2HG1  ILE   7          2HG1      ILE   7  -9.087  -9.393  -5.031
   55   1HG2  ILE   7          1HG2      ILE   7 -13.027  -7.561  -5.487
   56   2HG2  ILE   7          2HG2      ILE   7 -11.720  -7.298  -6.667
   57   3HG2  ILE   7          3HG2      ILE   7 -12.555  -8.866  -6.566
   58   1HD1  ILE   7          1HD1      ILE   7 -10.692 -11.309  -5.443
   59   2HD1  ILE   7          2HD1      ILE   7 -11.101 -10.591  -7.024
   60   3HD1  ILE   7          3HD1      ILE   7  -9.440 -11.128  -6.696
   61    H    THR   8           H        THR   8 -11.029  -4.836  -4.363
   62    HA   THR   8           HA       THR   8 -13.310  -4.705  -2.278
   63    HB   THR   8           HB       THR   8 -12.798  -2.268  -1.996
   64    HG1  THR   8           HG1      THR   8 -10.275  -2.111  -2.534
   65   1HG2  THR   8          1HG2      THR   8 -11.976  -3.922  -0.275
   66   2HG2  THR   8          2HG2      THR   8 -10.464  -4.141  -1.184
   67   3HG2  THR   8          3HG2      THR   8 -10.841  -2.565  -0.443
   68    H    GLN   9           H        GLN   9 -12.284  -2.540  -5.025
   69    HA   GLN   9           HA       GLN   9 -14.626  -3.210  -6.590
   70   1HB   GLN   9          1HB       GLN   9 -15.515  -1.610  -4.583
   71   2HB   GLN   9          2HB       GLN   9 -14.690  -0.337  -5.446
   72   1HG   GLN   9          1HG       GLN   9 -17.019  -0.272  -6.086
   73   2HG   GLN   9          2HG       GLN   9 -16.147  -0.847  -7.494
   74   1HE2  GLN   9          2HE2      GLN   9 -18.211  -1.636  -8.201
   75   2HE2  GLN   9          1HE2      GLN   9 -18.907  -3.182  -7.484
   76    H    GLY  10           H        GLY  10 -13.198  -2.410  -9.062
   77   1HA   GLY  10          1HA       GLY  10 -13.064  -4.565  -7.229
   78   2HA   GLY  10          2HA       GLY  10 -12.562  -4.665  -8.878
   79    HA   PRO  11           HA       PRO  11  -8.572  -5.858  -7.574
   80   1HB   PRO  11          1HB       PRO  11  -6.746  -4.856  -9.368
   81   2HB   PRO  11          2HB       PRO  11  -8.097  -5.896  -9.856
   82   1HG   PRO  11          1HG       PRO  11  -7.964  -2.831  -9.975
   83   2HG   PRO  11          2HG       PRO  11  -8.426  -3.947 -11.288
   84   1HD   PRO  11          1HD       PRO  11 -10.305  -2.684  -9.656
   85   2HD   PRO  11          2HD       PRO  11 -10.600  -4.323 -10.326
   86    H    ASN  12           H        ASN  12  -8.606  -4.953  -5.508
   87    HA   ASN  12           HA       ASN  12  -7.369  -2.408  -4.787
   88   1HB   ASN  12          1HB       ASN  12  -9.115  -3.909  -3.506
   89   2HB   ASN  12          2HB       ASN  12  -7.780  -4.854  -2.913
   90   1HD2  ASN  12          2HD2      ASN  12  -6.261  -3.677  -1.435
   91   2HD2  ASN  12          1HD2      ASN  12  -6.942  -2.211  -0.554
   92    H    GLU  13           H        GLU  13  -5.955  -5.663  -4.507
   93    HA   GLU  13           HA       GLU  13  -3.533  -4.601  -3.123
   94   1HB   GLU  13          1HB       GLU  13  -3.025  -6.879  -2.710
   95   2HB   GLU  13          2HB       GLU  13  -4.758  -6.803  -2.659
   96   1HG   GLU  13          1HG       GLU  13  -4.696  -7.701  -5.168
   97   2HG   GLU  13          2HG       GLU  13  -2.984  -8.005  -4.907
   98    HE2  GLU  13           HE2      GLU  13  -5.838 -10.351  -3.472
   99    H    SER  14           H        SER  14  -3.946  -4.337  -6.304
  100    HA   SER  14           HA       SER  14  -0.968  -4.658  -7.002
  101   1HB   SER  14          1HB       SER  14  -2.587  -5.382  -8.735
  102   2HB   SER  14          2HB       SER  14  -3.364  -3.809  -8.777
  103    HG   SER  14           HG       SER  14  -1.237  -2.943  -9.355
  104    HA   PRO  15           HA       PRO  15  -1.089   0.181  -6.864
  105   1HB   PRO  15          1HB       PRO  15  -3.359   1.604  -6.108
  106   2HB   PRO  15          2HB       PRO  15  -3.036   1.094  -7.771
  107   1HG   PRO  15          1HG       PRO  15  -4.800  -0.338  -5.703
  108   2HG   PRO  15          2HG       PRO  15  -5.235   0.108  -7.367
  109   1HD   PRO  15          1HD       PRO  15  -4.387  -2.412  -6.767
  110   2HD   PRO  15          2HD       PRO  15  -3.883  -1.647  -8.301
  111    H    SER  16           H        SER  16  -3.016  -1.318  -4.258
  112    HA   SER  16           HA       SER  16  -1.190  -0.105  -2.239
  113   1HB   SER  16          1HB       SER  16  -3.601   0.696  -1.957
  114   2HB   SER  16          2HB       SER  16  -4.129  -0.987  -1.798
  115    HG   SER  16           HG       SER  16  -3.657   0.258   0.193
  116    H    ALA  17           H        ALA  17  -1.253  -1.672  -0.261
  117    HA   ALA  17           HA       ALA  17  -0.372  -3.696   0.699
  118   1HB   ALA  17          1HB       ALA  17  -2.795  -4.283   0.176
  119   2HB   ALA  17          2HB       ALA  17  -2.274  -5.024  -1.353
  120   3HB   ALA  17          3HB       ALA  17  -1.737  -5.705   0.196
  121    H    PHE  18           H        PHE  18  -0.228  -4.166  -2.849
  122    HA   PHE  18           HA       PHE  18   2.428  -5.637  -2.821
  123   1HB   PHE  18          1HB       PHE  18   0.918  -5.788  -4.792
  124   2HB   PHE  18          2HB       PHE  18   0.860  -4.054  -4.962
  125    HD1  PHE  18           HD1      PHE  18   3.395  -6.889  -4.887
  126    HD2  PHE  18           HD2      PHE  18   2.348  -3.063  -6.551
  127    HE1  PHE  18           HE1      PHE  18   5.330  -7.014  -6.410
  128    HE2  PHE  18           HE2      PHE  18   4.277  -3.208  -8.075
  129    HZ   PHE  18           HZ       PHE  18   5.771  -5.178  -8.005
  130    H    LEU  19           H        LEU  19   1.412  -2.254  -3.210
  131    HA   LEU  19           HA       LEU  19   4.005  -0.917  -3.025
  132   1HB   LEU  19          1HB       LEU  19   1.709   0.099  -3.565
  133   2HB   LEU  19          2HB       LEU  19   1.234  -0.115  -1.891
  134    HG   LEU  19           HG       LEU  19   3.063   1.519  -1.194
  135   1HD1  LEU  19          1HD1      LEU  19   3.382   1.923  -4.255
  136   2HD1  LEU  19          2HD1      LEU  19   4.071   2.992  -3.012
  137   3HD1  LEU  19          3HD1      LEU  19   4.634   1.316  -3.145
  138   1HD2  LEU  19          1HD2      LEU  19   0.690   2.238  -1.515
  139   2HD2  LEU  19          2HD2      LEU  19   1.799   3.534  -2.007
  140   3HD2  LEU  19          3HD2      LEU  19   0.987   2.544  -3.243
  141    H    GLU  20           H        GLU  20   1.883  -1.754  -0.163
  142    HA   GLU  20           HA       GLU  20   3.965  -1.180   1.726
  143   1HB   GLU  20          1HB       GLU  20   1.333  -2.805   1.899
  144   2HB   GLU  20          2HB       GLU  20   2.399  -2.728   3.266
  145   1HG   GLU  20          1HG       GLU  20   0.752  -1.027   3.651
  146   2HG   GLU  20          2HG       GLU  20   2.280  -0.232   3.372
  147    HE2  GLU  20           HE2      GLU  20  -0.679  -1.067   2.047
  148    H    ARG  21           H        ARG  21   3.225  -4.441   0.299
  149    HA   ARG  21           HA       ARG  21   5.302  -5.888   1.656
  150   1HB   ARG  21          1HB       ARG  21   4.073  -6.067  -1.177
  151   2HB   ARG  21          2HB       ARG  21   5.356  -7.154  -0.714
  152   1HG   ARG  21          1HG       ARG  21   4.111  -8.108   1.140
  153   2HG   ARG  21          2HG       ARG  21   2.808  -6.952   1.019
  154   1HD   ARG  21          1HD       ARG  21   3.488  -8.920  -1.279
  155   2HD   ARG  21          2HD       ARG  21   2.454  -9.353   0.090
  156    HE   ARG  21           HE       ARG  21   1.503  -6.822  -1.111
  157   1HH1  ARG  21          1HH1      ARG  21   1.324 -10.282  -1.472
  158   2HH1  ARG  21          2HH1      ARG  21  -0.244 -10.190  -2.411
  159   1HH2  ARG  21          1HH2      ARG  21  -0.179  -6.753  -2.362
  160   2HH2  ARG  21          2HH2      ARG  21  -1.044  -8.278  -2.871
  161    H    LEU  22           H        LEU  22   5.674  -3.815  -1.315
  162    HA   LEU  22           HA       LEU  22   8.570  -3.960  -1.399
  163   1HB   LEU  22          1HB       LEU  22   6.595  -1.799  -2.371
  164   2HB   LEU  22          2HB       LEU  22   8.296  -1.784  -2.771
  165    HG   LEU  22           HG       LEU  22   6.386  -4.055  -3.599
  166   1HD1  LEU  22          1HD1      LEU  22   7.408  -1.629  -5.228
  167   2HD1  LEU  22          2HD1      LEU  22   6.465  -2.992  -5.874
  168   3HD1  LEU  22          3HD1      LEU  22   5.735  -1.908  -4.678
  169   1HD2  LEU  22          1HD2      LEU  22   9.275  -3.405  -4.541
  170   2HD2  LEU  22          2HD2      LEU  22   8.797  -4.803  -3.546
  171   3HD2  LEU  22          3HD2      LEU  22   8.223  -4.674  -5.214
  172    H    LYS  23           H        LYS  23   6.373  -1.812   0.443
  173    HA   LYS  23           HA       LYS  23   8.507   0.078   1.352
  174   1HB   LYS  23          1HB       LYS  23   5.877   0.377   1.184
  175   2HB   LYS  23          2HB       LYS  23   5.796  -0.486   2.719
  176   1HG   LYS  23          1HG       LYS  23   7.270   1.342   3.742
  177   2HG   LYS  23          2HG       LYS  23   7.297   2.173   2.202
  178   1HD   LYS  23          1HD       LYS  23   4.834   1.598   3.976
  179   2HD   LYS  23          2HD       LYS  23   5.602   3.148   3.784
  180   1HE   LYS  23          1HE       LYS  23   4.002   1.634   1.587
  181   2HE   LYS  23          2HE       LYS  23   3.397   2.952   2.561
  182   1HZ   LYS  23          1HZ       LYS  23   5.148   4.434   1.571
  183   2HZ   LYS  23          2HZ       LYS  23   5.737   3.199   0.671
  184   3HZ   LYS  23          3HZ       LYS  23   4.228   3.781   0.369
  185    H    GLU  24           H        GLU  24   7.049  -2.854   2.883
  186    HA   GLU  24           HA       GLU  24   8.715  -2.862   5.270
  187   1HB   GLU  24          1HB       GLU  24   7.088  -4.958   3.697
  188   2HB   GLU  24          2HB       GLU  24   8.178  -5.527   4.926
  189   1HG   GLU  24          1HG       GLU  24   5.957  -3.468   5.520
  190   2HG   GLU  24          2HG       GLU  24   5.768  -5.200   5.693
  191    HE2  GLU  24           HE2      GLU  24   7.039  -3.305   8.739
  192    H    ALA  25           H        ALA  25   9.169  -4.442   2.048
  193    HA   ALA  25           HA       ALA  25  11.763  -5.555   2.527
  194   1HB   ALA  25          1HB       ALA  25  10.307  -6.073   0.529
  195   2HB   ALA  25          2HB       ALA  25  10.570  -4.433  -0.112
  196   3HB   ALA  25          3HB       ALA  25  11.925  -5.574   0.001
  197    H    TYR  26           H        TYR  26  11.223  -2.304   0.889
  198    HA   TYR  26           HA       TYR  26  13.960  -1.470   1.149
  199   1HB   TYR  26          1HB       TYR  26  11.264  -0.038   0.682
  200   2HB   TYR  26          2HB       TYR  26  12.614   0.961   1.083
  201    HD1  TYR  26           HD1      TYR  26  14.566   1.242  -0.376
  202    HD2  TYR  26           HD2      TYR  26  11.322  -1.324  -1.554
  203    HE1  TYR  26           HE1      TYR  26  15.418   1.215  -2.681
  204    HE2  TYR  26           HE2      TYR  26  12.194  -1.350  -3.859
  205    HH   TYR  26           HH       TYR  26  15.085   0.491  -4.768
  206    H    ARG  27           H        ARG  27  11.349  -1.016   3.588
  207    HA   ARG  27           HA       ARG  27  13.012   0.635   5.434
  208   1HB   ARG  27          1HB       ARG  27  10.464   0.475   5.368
  209   2HB   ARG  27          2HB       ARG  27  10.548  -1.194   5.921
  210   1HG   ARG  27          1HG       ARG  27  11.616  -0.391   8.089
  211   2HG   ARG  27          2HG       ARG  27  11.523   1.277   7.507
  212   1HD   ARG  27          1HD       ARG  27   8.996   1.105   7.359
  213   2HD   ARG  27          2HD       ARG  27   9.077  -0.600   7.881
  214    HE   ARG  27           HE       ARG  27  10.549   1.032   9.813
  215   1HH1  ARG  27          1HH1      ARG  27   7.246   0.478   8.856
  216   2HH1  ARG  27          2HH1      ARG  27   6.604   0.926  10.511
  217   1HH2  ARG  27          1HH2      ARG  27   9.779   1.532  11.693
  218   2HH2  ARG  27          2HH2      ARG  27   7.991   1.481  12.028
  219    H    ARG  28           H        ARG  28  12.499  -3.021   5.402
  220    HA   ARG  28           HA       ARG  28  14.429  -3.461   7.533
  221   1HB   ARG  28          1HB       ARG  28  13.461  -5.267   5.235
  222   2HB   ARG  28          2HB       ARG  28  14.381  -5.832   6.619
  223   1HG   ARG  28          1HG       ARG  28  12.486  -5.364   8.178
  224   2HG   ARG  28          2HG       ARG  28  11.562  -4.615   6.882
  225   1HD   ARG  28          1HD       ARG  28  11.822  -6.895   5.572
  226   2HD   ARG  28          2HD       ARG  28  12.410  -7.573   7.099
  227    HE   ARG  28           HE       ARG  28   9.799  -6.155   7.467
  228   1HH1  ARG  28          1HH1      ARG  28  11.107  -9.134   6.230
  229   2HH1  ARG  28          2HH1      ARG  28   9.496  -9.990   6.395
  230   1HH2  ARG  28          1HH2      ARG  28   8.019  -7.107   7.588
  231   2HH2  ARG  28          2HH2      ARG  28   7.817  -8.875   7.151
  232    H    TYR  29           H        TYR  29  14.683  -3.408   3.953
  233    HA   TYR  29           HA       TYR  29  17.734  -3.793   4.116
  234   1HB   TYR  29          1HB       TYR  29  16.029  -4.805   1.786
  235   2HB   TYR  29          2HB       TYR  29  17.616  -5.312   2.266
  236    HD1  TYR  29           HD1      TYR  29  17.580  -6.479   4.848
  237    HD2  TYR  29           HD2      TYR  29  14.253  -6.274   2.134
  238    HE1  TYR  29           HE1      TYR  29  16.409  -8.206   6.136
  239    HE2  TYR  29           HE2      TYR  29  13.087  -7.993   3.430
  240    HH   TYR  29           HH       TYR  29  14.641  -9.598   6.186
  241    H    THR  30           H        THR  30  17.516  -1.332   4.165
  242    HA   THR  30           HA       THR  30  16.600   0.035   1.723
  243    HB   THR  30           HB       THR  30  18.188   1.417   3.915
  244    HG1  THR  30           HG1      THR  30  15.504   0.458   3.987
  245   1HG2  THR  30          1HG2      THR  30  17.356   2.825   1.977
  246   2HG2  THR  30          2HG2      THR  30  15.690   2.271   2.282
  247   3HG2  THR  30          3HG2      THR  30  16.537   3.267   3.486
  248    HA   PRO  31           HA       PRO  31  20.772  -0.904   0.254
  249   1HB   PRO  31          1HB       PRO  31  20.374  -0.863  -2.474
  250   2HB   PRO  31          2HB       PRO  31  19.445  -1.937  -1.417
  251   1HG   PRO  31          1HG       PRO  31  18.577   0.828  -2.467
  252   2HG   PRO  31          2HG       PRO  31  17.684  -0.711  -2.613
  253   1HD   PRO  31          1HD       PRO  31  17.189   1.085  -0.522
  254   2HD   PRO  31          2HD       PRO  31  17.060  -0.687  -0.298
  255    H    TYR  32           H        TYR  32  21.185   1.402   1.315
  256    HA   TYR  32           HA       TYR  32  22.859   3.077  -0.680
  257   1HB   TYR  32          1HB       TYR  32  20.888   4.172   1.443
  258   2HB   TYR  32          2HB       TYR  32  21.998   5.152   0.529
  259    HD1  TYR  32           HD1      TYR  32  21.743   5.300  -2.062
  260    HD2  TYR  32           HD2      TYR  32  18.757   3.513   0.448
  261    HE1  TYR  32           HE1      TYR  32  20.092   5.505  -3.873
  262    HE2  TYR  32           HE2      TYR  32  17.100   3.737  -1.371
  263    HH   TYR  32           HH       TYR  32  17.987   5.141  -4.503