*HEADER    TOXIN                                   16-JUL-01   1JLP              
*TITLE     SOLUTION STRUCTURE OF THE NONCOMPETITIVE SKELETAL MUSCLE              
*TITLE    2 NICOTINIC ACETYLCHOLINE RECEPTOR ANTAGONIST PSI-CONOTOXIN            
*TITLE    3 PIIIF                                                                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PSI-CONOTOXIN PIIIF;                                       
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: SOLID PHASE CHEMICAL SYNTHESIS WAS USED.              
*SOURCE   4 ONE SAMPLE CONTAINED ONLY NATURAL ISOTOPIC ABUNDANCE                 
*SOURCE   5 RESIDUES. ANOTHER PEPTIDE INCORPORATED 3-13C-LABELED                 
*SOURCE   6 CYSTEINE AT POSITION 4. THE THIRD PEPTIDE INCORPORATED 3-            
*SOURCE   7 13C-LABELED CYSTEINE AT POSITIONS 5, 10, 16, 21, AND 22.             
*SOURCE   8 THE SEQUENCE FOR ALL PEPTIDES IS THE SAME AS THE NATIVE              
*SOURCE   9 PEPTIDE FROM CONUS PURPURASCENS (PURPLE CONE).                       
*KEYWDS    MULTIPLE DISULFIDE BONDS, AMIDATED C-TERMINUS                         
*EXPDTA    NMR, 17 STRUCTURES                                                    
*AUTHOR    R.M.VAN WAGONER, C.M.IRELAND                                          
*REVDAT   1   24-JUN-03 1JLP    0                                                

!BIOSYM restraint 1
!
#remote_HYPchiral_center
1:LEU_6:HD2*    1:LEU_6:HD1*    1:LEU_6:CD2     1:LEU_6:CD1     1:LEU_6:CG     
1:LEU_20:HD1*   1:LEU_20:HD2*   1:LEU_20:CD1    1:LEU_20:CD2    1:LEU_20:CG    
!
#chiral
1:HYP_2:CA         S
1:HYP_2:CG         R
1:HYP_3:CA         S
1:HYP_3:CG         R
1:CYS_4:CA         R
1:CYS_5:CA         R
1:LEU_6:CA         S
1:TYR_7:CA         S
1:SER_9:CA         S
1:CYS_10:CA        R
1:ARG_11:CA        S
1:HYP_12:CA        S
1:HYP_12:CG        R
1:PHE_13:CA        S
1:HYP_14:CA        S
1:HYP_14:CG        R
1:CYS_16:CA        R
1:TYR_17:CA        S
1:ASN_18:CA        S
1:ALA_19:CA        S
1:LEU_20:CA        S
1:CYS_21:CA        R
1:CYS_22:CA        R
1:ARG_23:CA        S
1:LYS_24:CA        S
!
#distance
1:CYS_10:HB1       1:CYS_10:HN         2.340  3.823 20.00 20.00 1000.000
1:CYS_10:HB2       1:CYS_10:HN         2.199  3.736 20.00 20.00 1000.000
1:CYS_5:HBS        1:LEU_6:HN          2.664  3.512 20.00 20.00 1000.000
1:CYS_5:HBR        1:CYS_5:HN          2.577  3.768 20.00 20.00 1000.000
1:CYS_5:HBS        1:CYS_5:HN          2.259  2.737 20.00 20.00 1000.000
1:CYS_10:HB2       1:CYS_10:HA         1.994  3.291 20.00 20.00 1000.000
1:CYS_10:HB1       1:CYS_10:HA         2.071  3.291 20.00 20.00 1000.000
1:CYS_4:HBS        1:CYS_4:HN          2.340  2.941 20.00 20.00 1000.000
1:CYS_4:HBR        1:CYS_4:HN          2.208  2.511 20.00 20.00 1000.000
1:CYS_4:HBS        1:CYS_5:HN          2.664  3.578 20.00 20.00 1000.000
1:CYS_4:HBR        1:CYS_5:HN          2.728  3.222 20.00 20.00 1000.000
1:CYS_4:HBS        1:CYS_4:HA          2.271  2.463 20.00 20.00 1000.000
1:CYS_4:HBR        1:CYS_4:HA          2.342  2.737 20.00 20.00 1000.000
1:CYS_4:HBS        1:CYS_16:HBS        2.210  2.958 20.00 20.00 1000.000
1:CYS_4:HBR        1:ALA_19:HB*        2.305  3.486 20.00 20.00 1000.000
1:CYS_4:HBS        1:ALA_19:HB*        2.271  3.419 20.00 20.00 1000.000
1:CYS_4:HBR        1:CYS_16:HBS        2.951  3.683 20.00 20.00 1000.000
1:CYS_4:HBS        1:HYP_3:HA          3.283  3.704 20.00 20.00 1000.000
1:CYS_4:HBR        1:HYP_3:HA          3.283  3.704 20.00 20.00 1000.000
1:PHE_13:HD*       1:GLY_15:HN         3.500  7.000 20.00 20.00 1000.000 !weak:    
1:TYR_7:HE*        1:TYR_7:HD*         2.500  7.500 20.00 20.00 1000.000 !medium:    
1:TYR_17:HE*       1:TYR_17:HD*        2.500  7.500 20.00 20.00 1000.000 !medium:    
1:PHE_13:HD*       1:PHE_13:HE*        1.000  6.500 20.00 20.00 1000.000 !strong:    
1:TYR_7:HN         1:LEU_6:HG          3.500  5.000 20.00 20.00 1000.000 !weak:    
1:LEU_20:HN        1:ALA_19:HA         1.000  2.500 20.00 20.00 1000.000 !strong:    
1:GLY_15:HN        1:GLY_15:HAS        1.000  2.500 20.00 20.00 1000.000 !strong:    
1:ARG_11:HN        1:ARG_11:HA         2.500  3.500 20.00 20.00 1000.000 !medium:    
1:ARG_11:HN        1:HYP_12:HD*        3.500  6.000 20.00 20.00 1000.000 !weak:    
1:CYS_10:HN        1:SER_9:HB1         2.500  3.500 20.00 20.00 1000.000 !medium:    
1:CYS_10:HN        1:SER_9:HB2         2.500  3.500 20.00 20.00 1000.000 !medium:    
1:ARG_11:HN        1:ARG_11:HD*        3.500  6.000 20.00 20.00 1000.000 !weak:    
1:ARG_11:HN        1:CYS_10:HB1        2.500  3.500 20.00 20.00 1000.000 !medium:    
1:ARG_11:HN        1:CYS_10:HB2        3.500  5.000 20.00 20.00 1000.000 !weak:    
1:GLY_8:HN         1:TYR_7:HBS         2.500  4.000 20.00 20.00 1000.000 !medium:    
1:ARG_11:HN        1:ARG_11:HG*        2.500  4.500 20.00 20.00 1000.000 !medium:    
1:LEU_6:HN         1:ARG_11:HD*        3.500  6.000 20.00 20.00 1000.000 !weak:    
1:LYS_24:HN        1:LYS_24:HB1        2.500  3.500 20.00 20.00 1000.000 !medium:    
1:LYS_24:HN        1:ARG_23:HG*        3.500  6.000 20.00 20.00 1000.000 !weak:    
1:LYS_24:HN        1:LYS_24:HG*        3.500  6.000 20.00 20.00 1000.000 !weak:    
1:LEU_6:HN         1:ARG_11:HG*        3.500  6.000 20.00 20.00 1000.000 !weak:    
1:LEU_6:HN         1:LEU_6:HG          3.500  5.000 20.00 20.00 1000.000 !weak:    
1:CYS_5:HN         1:HYP_3:HA          2.500  3.500 20.00 20.00 1000.000 !medium:    
1:PHE_13:HN        1:HYP_12:HA         1.000  2.500 20.00 20.00 1000.000 !strong:    
1:SER_9:HN         1:GLY_8:HAS         2.500  3.500 20.00 20.00 1000.000 !medium:    
1:ALA_19:HN        1:ASN_18:HA         2.500  3.500 20.00 20.00 1000.000 !medium:    
1:CYS_21:HN        1:CYS_21:HA         2.500  3.500 20.00 20.00 1000.000 !medium:    
1:ARG_23:HN        1:CYS_21:HBS        3.500  5.000 20.00 20.00 1000.000 !weak:    
1:ARG_23:HN        1:ARG_23:HB1        2.500  3.500 20.00 20.00 1000.000 !medium:    
1:ARG_23:HN        1:ARG_23:HB2        2.500  3.500 20.00 20.00 1000.000 !medium:    
1:ARG_23:HN        1:ARG_23:HG*        2.500  4.500 20.00 20.00 1000.000 !medium:    
1:CYS_21:HN        1:ALA_19:HB*        3.500  6.000 20.00 20.00 1000.000 !weak:    
1:TYR_7:HE*        1:TYR_7:HA          3.500  7.000 20.00 20.00 1000.000 !weak:    
1:TYR_7:HD*        1:TYR_7:HBR         2.500  5.500 20.00 20.00 1000.000 !medium:    
1:TYR_7:HE*        1:TYR_7:HBR         3.500  7.000 20.00 20.00 1000.000 !weak:    
1:PHE_13:HD*       1:ARG_11:HG*        3.500  8.000 20.00 20.00 1000.000 !weak:    
1:ARG_23:HE        1:ARG_23:HB1        3.500  5.000 20.00 20.00 1000.000 !weak:    
1:ARG_11:HE        1:ARG_11:HBS        2.500  3.500 20.00 20.00 1000.000 !medium:    
1:ARG_23:HE        1:ARG_23:HG*        2.500  4.500 20.00 20.00 1000.000 !medium:    
1:ARG_11:HE        1:ARG_11:HG*        2.500  4.500 20.00 20.00 1000.000 !medium:    
1:LEU_20:HA        1:ALA_19:HA         2.500  3.500 20.00 20.00 1000.000 !medium:    
1:HYP_12:HD*       1:CYS_10:HA         3.500  6.000 20.00 20.00 1000.000 !weak:    
1:HYP_12:HD*       1:HYP_12:HG         2.500  4.500 20.00 20.00 1000.000 !medium:    
1:HYP_14:HDR       1:HYP_14:HG         1.000  2.500 20.00 20.00 1000.000 !strong:    
1:CYS_22:HB*       1:CYS_21:HA         3.500  6.000 20.00 20.00 1000.000 !weak:    
1:PHE_13:HBS       1:PHE_13:HA         2.500  3.500 20.00 20.00 1000.000 !medium:    
1:PHE_13:HBR       1:PHE_13:HA         2.500  3.500 20.00 20.00 1000.000 !medium:    
1:ARG_23:HD*       1:ARG_23:HA         3.500  6.000 20.00 20.00 1000.000 !weak:    
1:ARG_23:HD*       1:LEU_20:HA         3.500  6.000 20.00 20.00 1000.000 !weak:    
1:HYP_12:HBS       1:HYP_12:HD*        2.500  4.500 20.00 20.00 1000.000 !medium:    
1:HYP_2:HBR        1:HYP_3:HD1         3.500  5.000 20.00 20.00 1000.000 !weak:    
1:HYP_2:HBR        1:HYP_3:HD2         2.500  3.500 20.00 20.00 1000.000 !medium:    
1:HYP_3:HBS        1:HYP_3:HD2         2.500  3.500 20.00 20.00 1000.000 !medium:    
1:HYP_12:HBR       1:HYP_12:HD*        2.500  4.500 20.00 20.00 1000.000 !medium:    
1:ARG_11:HG*       1:ARG_11:HA         2.500  4.500 20.00 20.00 1000.000 !medium:    
1:ARG_11:HG*       1:HYP_12:HD*        3.500  7.000 20.00 20.00 1000.000 !weak:    
1:ARG_11:HBR       1:HYP_12:HD*        2.500  4.500 20.00 20.00 1000.000 !medium:    
1:ALA_19:HB*       1:ASN_18:HA         3.500  6.000 20.00 20.00 1000.000 !weak:    
1:ARG_11:HBS       1:HYP_12:HD*        3.500  6.000 20.00 20.00 1000.000 !weak:    
1:LEU_20:HD2*      1:CYS_21:HA         3.500  6.000 20.00 20.00 1000.000 !weak:    
1:ARG_11:HG*       1:CYS_5:HA          3.500  6.000 20.00 20.00 1000.000 !weak:    
1:HYP_3:HBS        1:HYP_3:HBR         1.000  2.500 20.00 20.00 1000.000 !strong:    
1:HYP_14:HBR       1:HYP_14:HBS        1.000  2.500 20.00 20.00 1000.000 !strong:    
1:ARG_11:HG*       1:ARG_11:HD*        2.500  5.500 20.00 20.00 1000.000 !medium:    
1:ARG_11:HG*       1:ARG_11:HBS        1.000  3.500 20.00 20.00 1000.000 !strong:    
1:ARG_23:HG*       1:ARG_23:HD*        2.500  5.500 20.00 20.00 1000.000 !medium:    
1:ARG_23:HB1       1:ARG_23:HD*        2.500  4.500 20.00 20.00 1000.000 !medium:    
1:ALA_19:HB*       1:CYS_22:HB*        3.500  7.000 20.00 20.00 1000.000 !weak:    
1:LEU_6:HB2        1:ARG_11:HD*        3.500  6.000 20.00 20.00 1000.000 !weak:    
1:LEU_20:HD1*      1:ARG_23:HD*        3.500  7.000 20.00 20.00 1000.000 !weak:    
1:LEU_20:HD2*      1:ARG_23:HD*        3.500  7.000 20.00 20.00 1000.000 !weak:    
1:LEU_6:HD1*       1:ARG_11:HD*        3.500  7.000 20.00 20.00 1000.000 !weak:    
1:LEU_6:HD2*       1:ARG_11:HD*        3.500  7.000 20.00 20.00 1000.000 !weak:    
1:LEU_6:HD1*       1:ARG_11:HG*        3.500  7.000 20.00 20.00 1000.000 !weak:    
1:LEU_6:HB2        1:ARG_11:HG*        3.500  6.000 20.00 20.00 1000.000 !weak:    
1:LEU_20:HD2*      1:LEU_20:HD1*       2.500  5.500 20.00 20.00 1000.000 !medium:    
1:PHE_13:HN        1:PHE_13:HBR        2.500  3.500 20.00 20.00 1000.000 !medium:    
1:ASN_18:HD21      1:ASN_18:HA         3.500  5.000 20.00 20.00 1000.000 !weak:    
1:TYR_17:HD*       1:TYR_17:HB1        2.500  5.500 20.00 20.00 1000.000 !medium:    
1:TYR_17:HD*       1:TYR_17:HB2        2.500  5.500 20.00 20.00 1000.000 !medium:    
1:TYR_17:HE*       1:TYR_17:HB1        3.500  7.000 20.00 20.00 1000.000 !weak:    
1:TYR_17:HE*       1:TYR_17:HB2        3.500  7.000 20.00 20.00 1000.000 !weak:    
1:LEU_20:HD1*      1:ARG_23:HB2        3.500  6.000 20.00 20.00 1000.000 !weak:    
1:CYS_22:HN        1:LYS_24:HN         3.500  5.000 20.00 20.00 1000.000 !weak:    
1:TYR_17:HN        1:CYS_22:HB*        3.500  6.000 20.00 20.00 1000.000 !weak:    
1:CYS_5:HN         1:ALA_19:HB*        3.500  6.000 20.00 20.00 1000.000 !weak:    
1:ASN_18:HN        1:ASN_18:HA         2.500  3.500 20.00 20.00 1000.000 !medium:    
1:PHE_13:HD*       1:HYP_12:HD*        3.500  8.000 20.00 20.00 1000.000 !weak:    
1:PHE_13:HD*       1:HYP_14:HDR        3.500  7.000 20.00 20.00 1000.000 !weak:    
1:TYR_17:HD*       1:HYP_14:HA         3.500  7.000 20.00 20.00 1000.000 !weak:    
1:TYR_17:HD*       1:CYS_22:HB*        3.500  8.000 20.00 20.00 1000.000 !weak:    
1:TYR_17:HE*       1:HYP_14:HA         3.500  7.000 20.00 20.00 1000.000 !weak:    
1:AMIN_1F:H12      1:LYS_24:HN         3.500  5.000 20.00 20.00 1000.000 !weak:    
1:LEU_20:HA        1:ARG_23:HA         3.500  5.000 20.00 20.00 1000.000 !weak:    
1:SER_9:HB1        1:SER_9:HA          2.500  3.500 20.00 20.00 1000.000 !medium:    
1:SER_9:HB2        1:SER_9:HA          1.000  2.500 20.00 20.00 1000.000 !strong:    
1:HYP_3:HD1        1:HYP_2:HA          1.000  2.500 20.00 20.00 1000.000 !strong:    
1:GLY_8:HAR        1:TYR_7:HA          3.500  5.000 20.00 20.00 1000.000 !weak:    
1:CYS_21:HBR       1:GLY_8:HAR         3.500  5.000 20.00 20.00 1000.000 !weak:    
1:CYS_5:HBR        1:GLY_8:HAR         3.500  5.000 20.00 20.00 1000.000 !weak:    
1:PHE_13:HBR       1:PHE_13:HBS        1.000  2.500 20.00 20.00 1000.000 !strong:    
1:CYS_4:HBR        1:CYS_4:HBS         1.000  2.500 20.00 20.00 1000.000 !strong:    
1:CYS_5:HBS        1:CYS_5:HBR         1.000  2.500 20.00 20.00 1000.000 !strong:    
1:CYS_5:HBS        1:CYS_21:HBS        2.500  3.500 20.00 20.00 1000.000 !medium:    
1:HYP_3:HBR        1:HYP_3:HD1         3.500  5.000 20.00 20.00 1000.000 !weak:    
1:PHE_13:HN        1:HYP_12:HD*        3.500  6.000 20.00 20.00 1000.000 !weak:    
1:HYP_3:HBR        1:HYP_3:HG          2.500  3.500 20.00 20.00 1000.000 !medium:    
1:HYP_14:HBS       1:HYP_14:HA         1.000  2.500 20.00 20.00 1000.000 !strong:    
1:HYP_14:HBS       1:HYP_14:HG         1.000  2.500 20.00 20.00 1000.000 !strong:    
1:ARG_23:HB1       1:LEU_20:HA         3.500  5.000 20.00 20.00 1000.000 !weak:    
1:ARG_23:HB2       1:LEU_20:HA         2.500  3.500 20.00 20.00 1000.000 !medium:    
1:ARG_11:HBR       1:ARG_11:HA         2.500  3.500 20.00 20.00 1000.000 !medium:    
1:ARG_11:HBR       1:ARG_11:HD*        2.500  4.500 20.00 20.00 1000.000 !medium:    
1:HYP_3:HD2        1:HYP_3:HA          3.500  5.000 20.00 20.00 1000.000 !weak:    
1:LYS_24:HG*       1:LYS_24:HB1        2.500  4.500 20.00 20.00 1000.000 !medium:    
1:LYS_24:HN        1:LYS_24:HB2        2.500  3.500 20.00 20.00 1000.000 !medium:    
1:CYS_21:HBS       1:GLY_8:HAR         3.500  5.000 20.00 20.00 1000.000 !weak:    
1:HYP_14:HG        1:PHE_13:HA         2.500  4.500 20.00 20.00 1000.000 !medium:    
1:LYS_24:HN        1:ARG_23:HD*        3.500  7.000 20.00 20.00 1000.000 !very weak:
1:PHE_13:HD*       1:HYP_2:HG          3.500  8.000 20.00 20.00 1000.000 !very weak:
1:PHE_13:HD*       1:HYP_14:HBR        3.500  8.000 20.00 20.00 1000.000 !very weak:
1:GLY_15:HAS       1:HYP_14:HA         3.500  6.000 20.00 20.00 1000.000 !very weak:
1:LEU_6:HD2*       1:ARG_11:HG*        3.500  8.000 20.00 20.00 1000.000 !very weak:
1:LEU_20:HD2*      1:ARG_23:HB2        3.500  7.000 20.00 20.00 1000.000 !very weak:
1:CYS_10:HN        1:ARG_11:HG*        3.500  7.000 20.00 20.00 1000.000 !very weak:
1:GLY_8:HN         1:SER_9:HB2         3.500  6.000 20.00 20.00 1000.000 !very weak:
1:GLY_8:HN         1:SER_9:HB1         3.500  6.000 20.00 20.00 1000.000 !very weak:
1:GLY_8:HN         1:LEU_6:HD2*        3.500  7.000 20.00 20.00 1000.000 !very weak:
1:PHE_13:HN        1:HYP_14:HDR        3.500  6.000 20.00 20.00 1000.000 !very weak:
1:PHE_13:HD*       1:HYP_2:HD1         3.500  8.000 20.00 20.00 1000.000 !very weak:
1:TYR_7:HD*        1:GLY_8:HAR         3.500  8.000 20.00 20.00 1000.000 !very weak:
1:ARG_11:HE        1:HYP_12:HD*        3.500  7.000 20.00 20.00 1000.000 !very weak:
1:ASN_18:HD22      1:ASN_18:HA         3.500  6.000 20.00 20.00 1000.000 !very weak:
1:HYP_2:HBR        1:HYP_2:HD2         3.500  6.000 20.00 20.00 1000.000 !very weak:
1:HYP_14:HBR       1:PHE_13:HBS        3.500  6.000 20.00 20.00 1000.000 !very weak:
1:LEU_20:HD1*      1:CYS_21:HA         3.500  7.000 20.00 20.00 1000.000 !very weak:
1:LEU_6:HD1*       1:TYR_7:HA          3.500  7.000 20.00 20.00 1000.000 !very weak:
1:PHE_13:HD*       1:HYP_2:HD2         3.500  8.000 20.00 20.00 1000.000 !very weak:
1:CYS_16:HN        1:ALA_19:HB*        3.500  7.000 20.00 20.00 1000.000 !very weak:
1:ARG_23:HE        1:LEU_20:HD1*       3.500  7.000 20.00 20.00 1000.000 !very weak:
!
#NOE_distance
1:GLY_8:HN         1:TYR_7:HN          2.815  3.008  3.008 20.00 20.00 1000.000  0.00
1:LEU_6:HN         1:TYR_7:HN          3.892  4.372  4.372 20.00 20.00 1000.000  0.00
1:CYS_16:HN        1:GLY_15:HN         2.705  2.727  2.727 20.00 20.00 1000.000  0.00
1:CYS_5:HN         1:CYS_4:HN          2.532  2.794  2.794 20.00 20.00 1000.000  0.00
1:CYS_5:HN         1:LEU_6:HN          3.191  3.462  3.462 20.00 20.00 1000.000  0.00
1:TYR_17:HN        1:GLY_15:HN         3.620  4.475  4.475 20.00 20.00 1000.000  0.00
1:TYR_17:HN        1:CYS_16:HN         2.387  2.478  2.478 20.00 20.00 1000.000  0.00
1:SER_9:HN         1:TYR_7:HN          4.481  4.958  4.958 20.00 20.00 1000.000  0.00
1:SER_9:HN         1:GLY_8:HN          2.757  2.865  2.865 20.00 20.00 1000.000  0.00
1:SER_9:HN         1:LEU_6:HN          3.031  3.089  3.089 20.00 20.00 1000.000  0.00
1:ARG_23:HN        1:LYS_24:HN         3.143  3.437  3.437 20.00 20.00 1000.000  0.00
1:TYR_17:HD*       1:TYR_17:HN         0.844  5.102  3.102 20.00 20.00 1000.000  0.00
1:AMIN_1F:H12      1:AMIN_1F:H11       2.103  2.111  2.111 20.00 20.00 1000.000  0.00
1:TYR_7:HD*        1:TYR_7:HN          1.214  5.564  3.564 20.00 20.00 1000.000  0.00
1:TYR_17:HD*       1:GLY_15:HN         1.975  6.330  4.330 20.00 20.00 1000.000  0.00
1:TYR_7:HE*        1:TYR_7:HN          2.466  7.159  5.159 20.00 20.00 1000.000  0.00
1:TYR_17:HE*       1:GLY_15:HN         2.446  6.656  4.656 20.00 20.00 1000.000  0.00
1:PHE_13:HD*       1:CYS_16:HN         2.754  7.729  5.729 20.00 20.00 1000.000  0.00
1:TYR_17:HD*       1:CYS_16:HN         2.169  6.977  4.977 20.00 20.00 1000.000  0.00
1:TYR_17:HE*       1:TYR_17:HN         1.937  7.125  5.125 20.00 20.00 1000.000  0.00
1:ASN_18:HD22      1:ASN_18:HD21       1.874  1.891  1.891 20.00 20.00 1000.000  0.00
1:TYR_7:HD*        1:GLY_8:HN          1.739  7.003  5.003 20.00 20.00 1000.000  0.00
1:TYR_7:HN         1:TYR_7:HA          2.268  2.290  2.290 20.00 20.00 1000.000  0.00
1:TYR_7:HN         1:LEU_6:HA          2.192  2.206  2.206 20.00 20.00 1000.000  0.00
1:TYR_7:HN         1:TYR_7:HBS         2.952  3.446  3.446 20.00 20.00 1000.000  0.00
1:TYR_7:HN         1:TYR_7:HBR         3.191  3.315  3.315 20.00 20.00 1000.000  0.00
1:TYR_7:HN         1:LEU_6:HB1         3.507  4.095  4.095 20.00 20.00 1000.000  0.00
1:TYR_7:HN         1:LEU_6:HB2         3.360  4.104  4.104 20.00 20.00 1000.000  0.00
1:TYR_7:HN         1:LEU_6:HD2*        2.717  4.833  3.833 20.00 20.00 1000.000  0.00
1:LEU_20:HN        1:LEU_20:HA         2.638  2.650  2.650 20.00 20.00 1000.000  0.00
1:GLY_15:HN        1:HYP_14:HA         2.068  2.135  2.135 20.00 20.00 1000.000  0.00
1:GLY_15:HN        1:GLY_15:HAR        2.305  2.365  2.365 20.00 20.00 1000.000  0.00
1:ARG_11:HN        1:CYS_5:HA          3.400  3.765  3.765 20.00 20.00 1000.000  0.00
1:ARG_11:HN        1:CYS_10:HA         2.092  2.225  2.225 20.00 20.00 1000.000  0.00
1:CYS_4:HN         1:HYP_3:HA          2.152  2.255  2.255 20.00 20.00 1000.000  0.00
1:GLY_8:HN         1:TYR_7:HA          2.585  2.610  2.610 20.00 20.00 1000.000  0.00
1:GLY_8:HN         1:GLY_8:HAR         2.233  2.254  2.254 20.00 20.00 1000.000  0.00
1:GLY_8:HN         1:CYS_5:HBS         3.604  4.056  4.056 20.00 20.00 1000.000  0.00
1:LEU_20:HN        1:ALA_19:HB*        2.248  4.553  3.553 20.00 20.00 1000.000  0.00
1:GLY_15:HN        1:HYP_14:HBS        2.716  3.293  3.293 20.00 20.00 1000.000  0.00
1:GLY_15:HN        1:HYP_14:HBR        2.924  3.473  3.473 20.00 20.00 1000.000  0.00
1:ARG_11:HN        1:ARG_11:HBS        2.670  2.682  2.682 20.00 20.00 1000.000  0.00
1:ARG_11:HN        1:ARG_11:HBR        2.741  3.017  3.017 20.00 20.00 1000.000  0.00
1:CYS_4:HN         1:HYP_3:HBR         2.720  3.437  3.437 20.00 20.00 1000.000  0.00
1:CYS_4:HN         1:HYP_3:HBS         2.920  3.656  3.656 20.00 20.00 1000.000  0.00
1:CYS_4:HN         1:ALA_19:HB*        2.950  5.732  4.732 20.00 20.00 1000.000  0.00
1:LEU_6:HN         1:CYS_5:HA          2.264  2.280  2.280 20.00 20.00 1000.000  0.00
1:LEU_6:HN         1:LEU_6:HA          2.809  2.841  2.841 20.00 20.00 1000.000  0.00
1:CYS_16:HN        1:CYS_16:HA         2.671  2.851  2.851 20.00 20.00 1000.000  0.00
1:CYS_16:HN        1:HYP_14:HA         2.854  3.271  3.271 20.00 20.00 1000.000  0.00
1:CYS_16:HN        1:GLY_15:HAS        3.016  3.087  3.087 20.00 20.00 1000.000  0.00
1:LEU_6:HN         1:CYS_5:HBR         2.604  3.029  3.029 20.00 20.00 1000.000  0.00
1:CYS_16:HN        1:GLY_15:HAR        3.043  3.083  3.083 20.00 20.00 1000.000  0.00
1:CYS_16:HN        1:CYS_16:HBS        2.561  2.943  2.943 20.00 20.00 1000.000  0.00
1:CYS_16:HN        1:CYS_16:HBR        2.288  2.338  2.338 20.00 20.00 1000.000  0.00
1:CYS_16:HN        1:PHE_13:HBR        3.583  4.364  4.364 20.00 20.00 1000.000  0.00
1:LEU_6:HN         1:LEU_6:HB1         2.687  2.829  2.829 20.00 20.00 1000.000  0.00
1:LEU_6:HN         1:LEU_6:HB2         2.692  2.795  2.795 20.00 20.00 1000.000  0.00
1:LEU_6:HN         1:LEU_6:HD1*        3.375  6.564  5.564 20.00 20.00 1000.000  0.00
1:LEU_6:HN         1:LEU_6:HD2*        3.326  6.395  5.395 20.00 20.00 1000.000  0.00
1:CYS_5:HN         1:CYS_5:HA          2.781  2.961  2.961 20.00 20.00 1000.000  0.00
1:CYS_5:HN         1:CYS_4:HA          2.834  3.253  3.253 20.00 20.00 1000.000  0.00
1:PHE_13:HN        1:PHE_13:HA         2.727  3.144  3.144 20.00 20.00 1000.000  0.00
1:SER_9:HN         1:SER_9:HA          2.666  2.931  2.931 20.00 20.00 1000.000  0.00
1:SER_9:HN         1:TYR_7:HA          3.568  4.346  4.346 20.00 20.00 1000.000  0.00
1:ALA_19:HN        1:CYS_16:HA         3.263  3.811  3.811 20.00 20.00 1000.000  0.00
1:ARG_23:HN        1:ARG_23:HA         2.715  2.751  2.751 20.00 20.00 1000.000  0.00
1:ASN_18:HN        1:ASN_18:HBS        2.848  3.259  3.259 20.00 20.00 1000.000  0.00
1:TYR_17:HN        1:CYS_16:HBS        3.156  3.597  3.597 20.00 20.00 1000.000  0.00
1:SER_9:HN         1:SER_9:HB1         2.748  2.854  2.854 20.00 20.00 1000.000  0.00
1:SER_9:HN         1:SER_9:HB2         2.639  2.718  2.718 20.00 20.00 1000.000  0.00
1:SER_9:HN         1:GLY_8:HAR         2.829  3.146  3.146 20.00 20.00 1000.000  0.00
1:CYS_22:HN        1:CYS_21:HBS        3.151  3.586  3.586 20.00 20.00 1000.000  0.00
1:ASN_18:HD21      1:ASN_18:HBS        2.759  3.114  3.114 20.00 20.00 1000.000  0.00
1:ALA_19:HN        1:ASN_18:HBS        3.709  4.471  4.471 20.00 20.00 1000.000  0.00
1:ALA_19:HN        1:ASN_18:HBR        3.417  4.151  4.151 20.00 20.00 1000.000  0.00
1:ASN_18:HN        1:ASN_18:HBR        2.696  2.991  2.991 20.00 20.00 1000.000  0.00
1:CYS_5:HN         1:HYP_3:HBR         3.284  3.618  3.618 20.00 20.00 1000.000  0.00
1:CYS_5:HN         1:HYP_3:HBS         3.236  3.613  3.613 20.00 20.00 1000.000  0.00
1:ALA_19:HN        1:ALA_19:HB*        1.719  3.747  2.747 20.00 20.00 1000.000  0.00
1:ASN_18:HD21      1:ASN_18:HBR        2.727  2.840  2.840 20.00 20.00 1000.000  0.00
1:PHE_13:HD*       1:HYP_14:HG         1.357  6.096  4.096 20.00 20.00 1000.000  0.00
1:PHE_13:HD*       1:HYP_14:HDS        0.868  5.601  3.601 20.00 20.00 1000.000  0.00
1:AMIN_1F:H12      1:LYS_24:HA         3.486  4.019  4.019 20.00 20.00 1000.000  0.00
1:TYR_17:HD*       1:TYR_17:HA         0.865  5.162  3.162 20.00 20.00 1000.000  0.00
1:TYR_17:HD*       1:GLY_15:HAR        1.660  6.419  4.419 20.00 20.00 1000.000  0.00
1:TYR_7:HD*        1:TYR_7:HA          0.770  4.842  2.842 20.00 20.00 1000.000  0.00
1:ARG_11:HE        1:ARG_11:HA         3.175  3.825  3.825 20.00 20.00 1000.000  0.00
1:ARG_23:HE        1:ARG_23:HA         3.991  5.027  5.027 20.00 20.00 1000.000  0.00
1:ARG_23:HE        1:LEU_20:HA         3.772  4.380  4.380 20.00 20.00 1000.000  0.00
1:TYR_17:HE*       1:GLY_15:HAR        1.618  6.104  4.104 20.00 20.00 1000.000  0.00
1:PHE_13:HD*       1:PHE_13:HBS        0.401  4.772  2.772 20.00 20.00 1000.000  0.00
1:PHE_13:HD*       1:PHE_13:HBR        0.575  4.699  2.699 20.00 20.00 1000.000  0.00
1:TYR_7:HD*        1:TYR_7:HBS         0.542  4.901  2.901 20.00 20.00 1000.000  0.00
1:TYR_17:HD*       1:ASN_18:HBS        1.905  6.718  4.718 20.00 20.00 1000.000  0.00
1:TYR_17:HD*       1:ASN_18:HBR        1.943  6.580  4.580 20.00 20.00 1000.000  0.00
1:ASN_18:HD22      1:ASN_18:HBS        3.117  3.760  3.760 20.00 20.00 1000.000  0.00
1:ASN_18:HD22      1:ASN_18:HBR        2.946  3.678  3.678 20.00 20.00 1000.000  0.00
1:TYR_7:HE*        1:TYR_7:HBS         1.619  6.870  4.870 20.00 20.00 1000.000  0.00
1:TYR_17:HE*       1:ASN_18:HBS        2.157  6.923  4.923 20.00 20.00 1000.000  0.00
1:TYR_17:HE*       1:ASN_18:HBR        2.103  6.784  4.784 20.00 20.00 1000.000  0.00
1:PHE_13:HD*       1:HYP_2:HBR         2.559  7.510  5.510 20.00 20.00 1000.000  0.00
1:PHE_13:HD*       1:ARG_11:HBS        1.604  5.730  3.730 20.00 20.00 1000.000  0.00
1:TYR_7:HD*        1:LEU_6:HB1         1.671  6.085  4.085 20.00 20.00 1000.000  0.00
1:TYR_7:HD*        1:LEU_6:HB2         1.826  6.326  4.326 20.00 20.00 1000.000  0.00
1:TYR_7:HD*        1:LEU_6:HG          1.224  5.538  3.538 20.00 20.00 1000.000  0.00
1:TYR_7:HD*        1:LEU_6:HD1*        1.232  7.776  4.776 20.00 20.00 1000.000  0.00
1:TYR_7:HD*        1:LEU_6:HD2*        1.574  7.609  4.609 20.00 20.00 1000.000  0.00
1:ARG_11:HE        1:LEU_6:HB2         3.640  4.067  4.067 20.00 20.00 1000.000  0.00
1:ARG_11:HE        1:LEU_6:HD1*        3.552  5.644  4.644 20.00 20.00 1000.000  0.00
1:ARG_11:HE        1:LEU_6:HD2*        3.717  6.304  5.304 20.00 20.00 1000.000  0.00
1:TYR_7:HE*        1:LEU_6:HD2*        1.285  7.593  4.593 20.00 20.00 1000.000  0.00
1:TYR_7:HE*        1:LEU_6:HD1*        1.503  7.570  4.570 20.00 20.00 1000.000  0.00
1:TYR_7:HE*        1:LEU_6:HG          1.843  6.209  4.209 20.00 20.00 1000.000  0.00
1:HYP_2:HG         1:HYP_2:HA          3.672  4.982  4.982 20.00 20.00 1000.000  0.00
1:LEU_20:HA        1:CYS_21:HA         3.866  4.882  4.882 20.00 20.00 1000.000  0.00
1:GLY_15:HAR       1:GLY_15:HAS        1.689  1.712  1.712 20.00 20.00 1000.000  0.00
1:HYP_3:HD2        1:HYP_2:HA          2.192  2.708  2.708 20.00 20.00 1000.000  0.00
1:HYP_3:HD2        1:HYP_3:HG          2.245  2.516  2.516 20.00 20.00 1000.000  0.00
1:GLY_8:HAR        1:GLY_8:HAS         1.714  1.744  1.744 20.00 20.00 1000.000  0.00
1:HYP_3:HD2        1:HYP_3:HD1         1.782  1.797  1.797 20.00 20.00 1000.000  0.00
1:HYP_14:HDR       1:PHE_13:HA         2.280  2.745  2.745 20.00 20.00 1000.000  0.00
1:CYS_16:HBS       1:CYS_16:HA         2.307  2.818  2.818 20.00 20.00 1000.000  0.00
1:CYS_21:HBS       1:CYS_21:HA         2.075  2.292  2.292 20.00 20.00 1000.000  0.00
1:HYP_2:HD1        1:HYP_2:HG          2.610  2.979  2.979 20.00 20.00 1000.000  0.00
1:HYP_14:HDR       1:HYP_14:HDS        1.865  1.888  1.888 20.00 20.00 1000.000  0.00
1:HYP_2:HD1        1:GLY_1:HA1         2.329  2.424  2.424 20.00 20.00 1000.000  0.00
1:HYP_2:HD1        1:GLY_1:HA2         2.301  2.321  2.321 20.00 20.00 1000.000  0.00
1:TYR_7:HBS        1:TYR_7:HA          2.340  2.410  2.410 20.00 20.00 1000.000  0.00
1:HYP_2:HD2        1:HYP_2:HG          2.788  2.830  2.830 20.00 20.00 1000.000  0.00
1:HYP_2:HD2        1:GLY_1:HA1         2.389  3.050  3.050 20.00 20.00 1000.000  0.00
1:HYP_2:HD2        1:GLY_1:HA2         2.478  2.924  2.924 20.00 20.00 1000.000  0.00
1:CYS_21:HBR       1:CYS_21:HA         1.987  2.234  2.234 20.00 20.00 1000.000  0.00
1:PHE_13:HBS       1:HYP_14:HDS        2.219  2.768  2.768 20.00 20.00 1000.000  0.00
1:TYR_17:HB1       1:TYR_17:HA         2.291  2.398  2.398 20.00 20.00 1000.000  0.00
1:TYR_7:HBR        1:TYR_7:HA          2.262  2.594  2.594 20.00 20.00 1000.000  0.00
1:TYR_17:HB2       1:TYR_17:HA         2.297  2.404  2.404 20.00 20.00 1000.000  0.00
1:ASN_18:HBS       1:ASN_18:HA         2.383  2.638  2.638 20.00 20.00 1000.000  0.00
1:PHE_13:HBR       1:HYP_14:HDS        2.479  3.532  3.532 20.00 20.00 1000.000  0.00
1:CYS_4:HB2        1:CYS_16:HA         3.120  4.151  4.151 20.00 20.00 1000.000  0.00
1:HYP_2:HD2        1:HYP_2:HD1         1.776  1.808  1.808 20.00 20.00 1000.000  0.00
1:TYR_7:HBR        1:TYR_7:HBS         1.659  1.698  1.698 20.00 20.00 1000.000  0.00
1:ASN_18:HBR       1:ASN_18:HBS        1.774  1.802  1.802 20.00 20.00 1000.000  0.00
1:HYP_3:HBR        1:HYP_3:HD2         2.939  3.676  3.676 20.00 20.00 1000.000  0.00
1:HYP_14:HBS       1:HYP_14:HDR        2.684  3.521  3.521 20.00 20.00 1000.000  0.00
1:ASN_18:HBR       1:ASN_18:HA         2.337  2.666  2.666 20.00 20.00 1000.000  0.00
1:HYP_2:HBR        1:HYP_2:HA          2.375  2.696  2.696 20.00 20.00 1000.000  0.00
1:HYP_2:HBR        1:HYP_2:HG          2.693  3.012  3.012 20.00 20.00 1000.000  0.00
1:HYP_14:HBR       1:HYP_14:HDR        2.733  2.815  2.815 20.00 20.00 1000.000  0.00
1:HYP_12:HBR       1:HYP_12:HA         2.319  2.419  2.419 20.00 20.00 1000.000  0.00
1:HYP_12:HBR       1:HYP_12:HG         2.741  3.073  3.073 20.00 20.00 1000.000  0.00
1:ARG_11:HBS       1:ARG_11:HA         2.462  2.751  2.751 20.00 20.00 1000.000  0.00
1:HYP_2:HBS        1:HYP_2:HG          2.724  2.844  2.844 20.00 20.00 1000.000  0.00
1:ALA_19:HB*       1:ALA_19:HA         1.670  3.706  2.706 20.00 20.00 1000.000  0.00
1:ALA_19:HB*       1:CYS_16:HA         2.379  4.931  3.931 20.00 20.00 1000.000  0.00
1:LEU_6:HB1        1:LEU_6:HA          2.498  2.669  2.669 20.00 20.00 1000.000  0.00
1:LEU_6:HB2        1:LEU_6:HA          2.453  2.512  2.512 20.00 20.00 1000.000  0.00
1:LEU_20:HD1*      1:LEU_20:HA         2.300  4.496  3.496 20.00 20.00 1000.000  0.00
1:LEU_20:HD2*      1:LEU_20:HA         2.237  4.383  3.383 20.00 20.00 1000.000  0.00
1:LEU_6:HD1*       1:LEU_6:HA          2.453  4.781  3.781 20.00 20.00 1000.000  0.00
1:LEU_6:HD2*       1:LEU_6:HA          1.956  4.039  3.039 20.00 20.00 1000.000  0.00
1:LEU_6:HG         1:LEU_6:HA          3.047  3.146  3.146 20.00 20.00 1000.000  0.00
1:LEU_6:HD2*       1:HYP_3:HG          3.311  5.912  4.912 20.00 20.00 1000.000  0.00
1:ALA_19:HB*       1:LEU_20:HA         3.305  5.743  4.743 20.00 20.00 1000.000  0.00
1:HYP_2:HBS        1:HYP_3:HD1         3.051  3.780  3.780 20.00 20.00 1000.000  0.00
1:LEU_6:HD1*       1:HYP_3:HG          3.810  6.498  5.498 20.00 20.00 1000.000  0.00
1:HYP_12:HBR       1:HYP_12:HBS        1.924  1.944  1.944 20.00 20.00 1000.000  0.00
1:LEU_6:HB2        1:LEU_6:HB1         1.803  1.835  1.835 20.00 20.00 1000.000  0.00
1:HYP_2:HBS        1:HYP_2:HBR         1.942  1.989  1.989 20.00 20.00 1000.000  0.00
1:ARG_11:HBR       1:ARG_11:HBS        1.898  1.945  1.945 20.00 20.00 1000.000  0.00
1:LEU_6:HD1*       1:LEU_6:HB1         1.909  4.067  3.067 20.00 20.00 1000.000  0.00
1:LEU_6:HD1*       1:LEU_6:HB2         1.843  4.125  3.125 20.00 20.00 1000.000  0.00
1:LEU_6:HD2*       1:LEU_6:HB1         2.065  4.399  3.399 20.00 20.00 1000.000  0.00
1:LEU_6:HG         1:LEU_6:HB1         2.370  2.388  2.388 20.00 20.00 1000.000  0.00
1:LEU_6:HG         1:LEU_6:HB2         2.279  2.414  2.414 20.00 20.00 1000.000  0.00
1:LEU_6:HD1*       1:HYP_3:HBS         3.289  5.846  4.846 20.00 20.00 1000.000  0.00
1:LEU_6:HD2*       1:HYP_3:HBR         4.047  6.105  5.105 20.00 20.00 1000.000  0.00
1:LEU_6:HD2*       1:HYP_3:HBS         3.297  5.677  4.677 20.00 20.00 1000.000  0.00
1:LEU_6:HD2*       1:LEU_6:HG          1.793  3.989  2.989 20.00 20.00 1000.000  0.00
1:LEU_6:HD1*       1:LEU_6:HG          1.736  3.805  2.805 20.00 20.00 1000.000  0.00
1:LEU_6:HD2*       1:LEU_6:HB2         1.833  4.041  3.041 20.00 20.00 1000.000  0.00
1:LEU_20:HN        1:LEU_20:HD2*       3.717  6.139  5.139 20.00 20.00 1000.000  0.00
1:LEU_20:HN        1:LEU_20:HD1*       4.021  6.188  5.188 20.00 20.00 1000.000  0.00
1:AMIN_1F:H11      1:LYS_24:HA         2.872  3.054  3.054 20.00 20.00 1000.000  0.00
1:CYS_21:HN        1:CYS_21:HBS        2.868  3.239  3.239 20.00 20.00 1000.000  0.00
1:CYS_21:HN        1:CYS_21:HBR        2.801  2.885  2.885 20.00 20.00 1000.000  0.00
1:CYS_21:HN        1:LEU_20:HA         3.565  3.753  3.753 20.00 20.00 1000.000  0.00
1:PHE_13:HD*       1:PHE_13:HA         0.604  4.931  2.931 20.00 20.00 1000.000  0.00
1:CYS_5:HBR        1:CYS_5:HA          2.368  2.497  2.497 20.00 20.00 1000.000  0.00
1:CYS_5:HBS        1:CYS_5:HA          2.356  2.729  2.729 20.00 20.00 1000.000  0.00
1:HYP_12:HBS       1:HYP_12:HG         2.603  2.763  2.763 20.00 20.00 1000.000  0.00
1:ALA_19:HN        1:LEU_20:HN         3.788  4.560  4.560 20.00 20.00 1000.000  0.00
1:SER_9:HN         1:CYS_10:HN         3.473  4.521  4.521 20.00 20.00 1000.000  0.00
1:LEU_6:HN         1:GLY_8:HN          4.165  4.618  4.618 20.00 20.00 1000.000  0.00
1:PHE_13:HD*       1:PHE_13:HN         1.410  5.965  3.965 20.00 20.00 1000.000  0.00
1:TYR_7:HN         1:LEU_6:HD1*        3.725  6.649  5.649 20.00 20.00 1000.000  0.00
1:LYS_24:HN        1:CYS_22:HA         4.146  4.597  4.597 20.00 20.00 1000.000  0.00
1:LEU_6:HN         1:SER_9:HB1         4.369  4.503  4.503 20.00 20.00 1000.000  0.00
1:LEU_6:HN         1:SER_9:HB2         4.383  4.769  4.769 20.00 20.00 1000.000  0.00
1:PHE_13:HN        1:HYP_12:HBR        3.821  4.906  4.906 20.00 20.00 1000.000  0.00
1:SER_9:HN         1:CYS_5:HA          3.804  4.516  4.516 20.00 20.00 1000.000  0.00
1:SER_9:HN         1:TYR_7:HBS         3.499  4.176  4.176 20.00 20.00 1000.000  0.00
1:ASN_18:HD21      1:ALA_19:HA         3.539  4.071  4.071 20.00 20.00 1000.000  0.00
1:AMIN_1F:H12      1:LYS_24:HB1        4.391  4.482  4.482 20.00 20.00 1000.000  0.00
1:TYR_17:HE*       1:HYP_12:HBS        2.468  6.518  4.518 20.00 20.00 1000.000  0.00
1:TYR_17:HE*       1:HYP_12:HBR        2.543  6.951  4.951 20.00 20.00 1000.000  0.00
1:LEU_6:HA         1:CYS_5:HA          3.754  4.706  4.706 20.00 20.00 1000.000  0.00
1:GLY_1:HA1        1:HYP_2:HA          3.218  3.971  3.971 20.00 20.00 1000.000  0.00
1:HYP_14:HDS       1:PHE_13:HA         2.065  2.270  2.270 20.00 20.00 1000.000  0.00
1:HYP_2:HBR        1:HYP_2:HD1         3.919  4.859  4.859 20.00 20.00 1000.000  0.00
1:HYP_14:HBR       1:PHE_13:HA         3.400  4.278  4.278 20.00 20.00 1000.000  0.00
1:HYP_2:HBS        1:HYP_3:HD2         3.304  3.719  3.719 20.00 20.00 1000.000  0.00
1:LEU_20:HD1*      1:ARG_23:HB1        3.051  5.885  4.885 20.00 20.00 1000.000  0.00
1:LEU_6:HD2*       1:TYR_7:HA          3.515  6.097  5.097 20.00 20.00 1000.000  0.00
1:LEU_6:HD1*       1:HYP_3:HBR         4.334  6.386  5.386 20.00 20.00 1000.000  0.00
1:LEU_6:HD2*       1:LEU_6:HD1*        1.165  5.223  3.223 20.00 20.00 1000.000  0.00
1:CYS_22:HN        1:LEU_20:HN         3.939  4.676  4.676 20.00 20.00 1000.000  0.00
1:AMIN_1F:H11      1:LYS_24:HN         3.819  3.991  3.991 20.00 20.00 1000.000  0.00
1:GLY_8:HAS        1:SER_9:HA          3.297  3.882  3.882 20.00 20.00 1000.000  0.00
1:ARG_23:HA        1:CYS_22:HA         3.977  4.447  4.447 20.00 20.00 1000.000  0.00
1:ARG_23:HE        1:LEU_20:HD2*       4.301  7.268  6.268 20.00 20.00 1000.000  0.00
#NOE_distance_overlapped
1:PHE_13:HE*      1:PHE_13:HA         1.500    7.000       5.000   5.000 1000.000      !weak:   
 + 1:PHE_13:HZ     1:PHE_13:HA
1:PHE_13:HE*      1:HYP_14:HG         1.500    7.000       5.000   5.000 1000.000      !weak:   
 + 1:PHE_13:HZ     1:HYP_14:HG
1:PHE_13:HE*      1:HYP_2:HG          1.500    7.000       5.000   5.000 1000.000      !weak:   
 + 1:PHE_13:HZ     1:HYP_2:HG
1:PHE_13:HE*      1:HYP_14:HDS        1.500    7.000       5.000   5.000 1000.000      !weak:   
 + 1:PHE_13:HZ     1:HYP_14:HDS
1:PHE_13:HE*      1:PHE_13:HBR        1.500    7.000       5.000   5.000 1000.000      !weak:   
 + 1:PHE_13:HZ     1:PHE_13:HBR
1:PHE_13:HE*      1:ARG_11:HBS        0.500    5.500       5.000   5.000 1000.000      !medium:  
 + 1:PHE_13:HZ     1:ARG_11:HBS
1:PHE_13:HE*      1:ARG_11:HG*        0.500    8.000       5.000   5.000 1000.000      !weak:   
 + 1:PHE_13:HZ     1:ARG_11:HG*
1:PHE_13:HE*      1:HYP_2:HBR         1.500    7.000       5.000   5.000 1000.000      !weak:   
 + 1:PHE_13:HZ     1:HYP_2:HBR
1:PHE_13:HE*      1:HYP_12:HD*        0.500    8.000       5.000   5.000 1000.000      !weak:   
 + 1:PHE_13:HZ     1:HYP_12:HD*
1:PHE_13:HE*      1:HYP_14:HDR        1.500    7.000       5.000   5.000 1000.000      !weak:   
 + 1:PHE_13:HZ     1:HYP_14:HDR
1:PHE_13:HE*      1:HYP_2:HD1         1.500    7.000       5.000   5.000 1000.000      !weak:   
 + 1:PHE_13:HZ     1:HYP_2:HD1
1:PHE_13:HE*      1:HYP_2:HD2         1.500    7.000       5.000   5.000 1000.000      !weak:   
 + 1:PHE_13:HZ     1:HYP_2:HD2
!
#mixing_times
8.000000E-02 1.200000E-01 2.000000E-01 4.000000E-01 
!
#3J_dihedral
1:CYS_4:HN         1:CYS_4:N          1:CYS_4:CA         1:CYS_4:HA          5.00  2.00 30.00 30.00 1000.000 -150.0 -100.0
1:CYS_5:HN         1:CYS_5:N          1:CYS_5:CA         1:CYS_5:HA          9.50  2.00 30.00 30.00 1000.000  140.0 -140.0
1:SER_9:HA         1:SER_9:CA         1:SER_9:N          1:SER_9:HN          8.75  2.00 30.00 30.00 1000.000  140.0 -140.0
1:ARG_11:HN        1:ARG_11:N         1:ARG_11:CA        1:ARG_11:HA         8.50  2.00 30.00 30.00 1000.000  140.0 -140.0
1:ASN_18:HN        1:ASN_18:N         1:ASN_18:CA        1:ASN_18:HA         9.00  2.00 30.00 30.00 1000.000  140.0 -140.0
1:LEU_20:HN        1:LEU_20:N         1:LEU_20:CA        1:LEU_20:HA         3.50  2.00 30.00 30.00 1000.000 -150.0 -100.0
1:CYS_22:HN        1:CYS_22:N         1:CYS_22:CA        1:CYS_22:HA        10.00  3.00 30.00 30.00 1000.000  140.0 -140.0 !A=6.400, B=-1.400, C=1.900
1:CYS_4:N          1:CYS_4:CA         1:CYS_4:CB         1:CYS_4:SG          0.00  0.00 30.00 30.00 1000.000  165.0 -165.0
1:CYS_5:N          1:CYS_5:CA         1:CYS_5:CB         1:CYS_5:SG          0.00  0.00 30.00 30.00 1000.000  -75.0  -45.0
1:TYR_7:N          1:TYR_7:CA         1:TYR_7:CB         1:TYR_7:CG          0.00  0.00 30.00 30.00 1000.000  -75.0  -45.0
1:ARG_11:N         1:ARG_11:CA        1:ARG_11:CB        1:ARG_11:CG         0.00  0.00 30.00 30.00 1000.000  165.0 -165.0
1:PHE_13:N         1:PHE_13:CA        1:PHE_13:CB        1:PHE_13:CG         0.00  0.00 30.00 30.00 1000.000  -75.0  -45.0
1:CYS_16:N         1:CYS_16:CA        1:CYS_16:CB        1:CYS_16:SG         0.00  0.00 30.00 30.00 1000.000  165.0 -165.0
1:CYS_21:N         1:CYS_21:CA        1:CYS_21:CB        1:CYS_21:SG         0.00  0.00 30.00 30.00 1000.000   45.0   75.0


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLY   1          1H        GLY   1  -1.508  13.037  -5.781
    2   2H    GLY   1          2H        GLY   1   0.006  12.386  -5.666
    3   3H    GLY   1          3H        GLY   1  -0.245  13.969  -5.267
    4   1HA   GLY   1          2HA       GLY   1  -1.702  13.286  -3.374
    5   2HA   GLY   1          1HA       GLY   1  -1.358  11.629  -3.779
    6    HA   HYP   2           HA       HYP   2   1.863  12.359  -0.841
    7   1HB   HYP   2          1HB       HYP   2   0.904  10.801   1.315
    8   2HB   HYP   2          2HB       HYP   2   0.809  12.560   1.200
    9   1HD   HYP   2          1HD       HYP   2  -2.048  11.542  -1.573
   10   2HD   HYP   2          2HD       HYP   2  -1.670  13.126  -0.971
   11    HOD  HYP   2           HOD      HYP   2  -2.636  12.360   1.207
   12    HG   HYP   2           HG       HYP   2  -1.454  10.566   0.551
   13    HA   HYP   3           HA       HYP   3   3.537   8.329  -2.161
   14   1HB   HYP   3          1HB       HYP   3   5.467   8.551   0.182
   15   2HB   HYP   3          2HB       HYP   3   5.847   8.348  -1.498
   16   1HD   HYP   3          1HD       HYP   3   3.844  11.932  -1.003
   17   2HD   HYP   3          2HD       HYP   3   4.033  11.129   0.561
   18    HOD  HYP   3           HOD      HYP   3   5.697  11.690  -2.355
   19    HG   HYP   3           HG       HYP   3   6.212  10.759  -0.337
   20    H    CYS   4           H        CYS   4   2.925   6.578  -1.923
   21    HA   CYS   4           HA       CYS   4   1.825   5.003   0.244
   22   1HB   CYS   4          1HB       CYS   4   1.260   4.899  -2.127
   23   2HB   CYS   4          2HB       CYS   4   2.830   4.496  -2.560
   24    H    CYS   5           H        CYS   5   4.958   5.225  -1.210
   25    HA   CYS   5           HA       CYS   5   6.164   3.591   0.960
   26   1HB   CYS   5          1HB       CYS   5   7.160   3.397  -1.818
   27   2HB   CYS   5          2HB       CYS   5   7.714   2.530  -0.395
   28    H    LEU   6           H        LEU   6   7.441   4.896   1.708
   29    HA   LEU   6           HA       LEU   6   8.886   7.195   0.407
   30   1HB   LEU   6          2HB       LEU   6   7.247   7.946   2.042
   31   2HB   LEU   6          1HB       LEU   6   8.091   7.048   3.281
   32    HG   LEU   6           HG       LEU   6  10.007   8.513   2.871
   33   1HD1  LEU   6          1HD2      LEU   6   9.505   9.412   0.564
   34   2HD1  LEU   6          2HD2      LEU   6   8.066  10.244   1.212
   35   3HD1  LEU   6          3HD2      LEU   6   9.701  10.752   1.715
   36   1HD2  LEU   6          1HD1      LEU   6   9.217  10.417   4.161
   37   2HD2  LEU   6          2HD1      LEU   6   7.520   9.916   3.830
   38   3HD2  LEU   6          3HD1      LEU   6   8.618   8.856   4.772
   39    H    TYR   7           H        TYR   7  10.985   6.635   0.323
   40    HA   TYR   7           HA       TYR   7  12.825   5.375   0.349
   41   1HB   TYR   7          1HB       TYR   7  12.339   5.554   3.255
   42   2HB   TYR   7          2HB       TYR   7  13.744   4.962   2.470
   43    HD1  TYR   7           1HD      TYR   7  12.109   7.968   3.662
   44    HD2  TYR   7           2HD      TYR   7  15.053   6.646   0.808
   45    HE1  TYR   7           1HE      TYR   7  12.965  10.261   3.467
   46    HE2  TYR   7           2HE      TYR   7  15.901   8.945   0.639
   47    HH   TYR   7           HH       TYR   7  14.445  11.599   2.511
   48    H    GLY   8           H        GLY   8  10.951   3.667  -0.361
   49   1HA   GLY   8          1HA       GLY   8  10.887   1.340  -0.922
   50   2HA   GLY   8          2HA       GLY   8  11.990   0.915   0.400
   51    H    SER   9           H        SER   9   9.775   2.734   1.942
   52    HA   SER   9           HA       SER   9   9.166   0.297   3.346
   53   1HB   SER   9          1HB       SER   9   8.545   2.000   5.051
   54   2HB   SER   9          2HB       SER   9   9.949   2.518   4.365
   55    HG   SER   9           HG       SER   9   7.255   3.289   3.748
   56    H    CYS  10           H        CYS  10   6.997   0.343   4.613
   57    HA   CYS  10           HA       CYS  10   4.574   0.572   2.747
   58   1HB   CYS  10          2HB       CYS  10   4.909  -1.230   5.195
   59   2HB   CYS  10          1HB       CYS  10   3.323  -0.689   4.614
   60    H    ARG  11           H        ARG  11   3.718   2.441   2.990
   61    HA   ARG  11           HA       ARG  11   3.845   4.046   5.591
   62   1HB   ARG  11          1HB       ARG  11   5.595   4.525   3.888
   63   2HB   ARG  11          2HB       ARG  11   4.294   5.034   2.794
   64   1HG   ARG  11          2HG       ARG  11   5.083   7.008   3.559
   65   2HG   ARG  11          1HG       ARG  11   3.625   6.771   4.504
   66   1HD   ARG  11          1HD       ARG  11   5.488   7.730   5.898
   67   2HD   ARG  11          2HD       ARG  11   5.006   6.158   6.541
   68    HE   ARG  11           HE       ARG  11   7.167   5.565   4.771
   69   1HH1  ARG  11          2HH2      ARG  11   6.765   7.548   7.693
   70   2HH1  ARG  11          1HH2      ARG  11   8.531   7.296   8.124
   71   1HH2  ARG  11          1HH1      ARG  11   9.163   5.361   5.345
   72   2HH2  ARG  11          2HH1      ARG  11   9.797   6.140   6.881
   73    HA   HYP  12           HA       HYP  12  -0.291   2.916   4.128
   74   1HB   HYP  12          1HB       HYP  12  -1.869   3.210   6.405
   75   2HB   HYP  12          2HB       HYP  12  -0.659   1.921   6.139
   76   1HD   HYP  12          1HD       HYP  12   2.119   4.509   7.071
   77   2HD   HYP  12          2HD       HYP  12   2.098   2.769   6.670
   78    HOD  HYP  12           HOD      HYP  12  -0.672   2.605   8.782
   79    HG   HYP  12           HG       HYP  12  -0.187   4.554   7.685
   80    H    PHE  13           H        PHE  13  -1.558   3.874   2.850
   81    HA   PHE  13           HA       PHE  13  -3.063   6.455   3.387
   82   1HB   PHE  13          1HB       PHE  13  -1.007   6.120   1.068
   83   2HB   PHE  13          2HB       PHE  13  -2.217   7.317   0.989
   84    HD1  PHE  13           1HD      PHE  13   1.047   6.737   2.087
   85    HD2  PHE  13           2HD      PHE  13  -2.467   8.968   3.035
   86    HE1  PHE  13           1HE      PHE  13   2.437   8.393   3.361
   87    HE2  PHE  13           2HE      PHE  13  -1.120  10.612   4.283
   88    HZ   PHE  13           HZ       PHE  13   1.344  10.315   4.468
   89    HA   HYP  14           HA       HYP  14  -6.045   4.667   0.719
   90   1HB   HYP  14          1HB       HYP  14  -7.443   6.736  -0.125
   91   2HB   HYP  14          2HB       HYP  14  -7.296   6.185   1.555
   92   1HD   HYP  14          1HD       HYP  14  -4.040   8.055   1.933
   93   2HD   HYP  14          2HD       HYP  14  -5.324   7.324   2.953
   94    HOD  HYP  14           HOD      HYP  14  -7.655   9.032   1.276
   95    HG   HYP  14           HG       HYP  14  -5.640   8.483   0.305
   96    H    GLY  15           H        GLY  15  -5.809   3.865  -0.963
   97   1HA   GLY  15          1HA       GLY  15  -5.163   3.107  -3.155
   98   2HA   GLY  15          2HA       GLY  15  -4.672   4.743  -3.481
   99    H    CYS  16           H        CYS  16  -3.164   3.479  -0.759
  100    HA   CYS  16           HA       CYS  16  -0.533   3.183  -2.124
  101   1HB   CYS  16          1HB       CYS  16  -0.383   4.299  -0.142
  102   2HB   CYS  16          2HB       CYS  16  -1.309   3.086   0.819
  103    H    TYR  17           H        TYR  17  -2.399   1.116  -0.050
  104    HA   TYR  17           HA       TYR  17  -1.379  -1.552  -0.781
  105   1HB   TYR  17          2HB       TYR  17  -3.736  -2.393  -0.215
  106   2HB   TYR  17          1HB       TYR  17  -2.657  -1.858   1.007
  107    HD1  TYR  17           1HD      TYR  17  -3.258  -0.130   2.570
  108    HD2  TYR  17           2HD      TYR  17  -5.625  -0.495  -1.021
  109    HE1  TYR  17           1HE      TYR  17  -4.800   1.550   3.412
  110    HE2  TYR  17           2HE      TYR  17  -7.159   1.200  -0.152
  111    HH   TYR  17           HH       TYR  17  -7.617   2.610   1.493
  112    H    ASN  18           H        ASN  18  -3.428   0.497  -2.718
  113    HA   ASN  18           HA       ASN  18  -3.612  -1.568  -4.915
  114   1HB   ASN  18          1HB       ASN  18  -5.474   0.042  -4.668
  115   2HB   ASN  18          2HB       ASN  18  -4.391   1.326  -5.006
  116   1HD2  ASN  18          1HD2      ASN  18  -4.062   1.572  -7.390
  117   2HD2  ASN  18          2HD2      ASN  18  -5.096   0.574  -8.534
  118    H    ALA  19           H        ALA  19  -1.283   0.758  -3.924
  119    HA   ALA  19           HA       ALA  19  -0.032   1.145  -6.657
  120   1HB   ALA  19          1HB       ALA  19   0.781   2.322  -3.878
  121   2HB   ALA  19          2HB       ALA  19   1.482   2.795  -5.428
  122   3HB   ALA  19          HB3       ALA  19  -0.212   3.175  -5.077
  123    H    LEU  20           H        LEU  20   2.183   0.963  -6.886
  124    HA   LEU  20           HA       LEU  20   2.305  -1.779  -6.983
  125   1HB   LEU  20          2HB       LEU  20   3.051   0.051  -8.703
  126   2HB   LEU  20          1HB       LEU  20   4.625  -0.023  -7.973
  127    HG   LEU  20           HG       LEU  20   4.445  -1.233 -10.075
  128   1HD1  LEU  20          1HD2      LEU  20   6.095  -2.128  -8.378
  129   2HD1  LEU  20          2HD2      LEU  20   4.914  -3.389  -7.940
  130   3HD1  LEU  20          3HD2      LEU  20   5.568  -3.320  -9.586
  131   1HD2  LEU  20          1HD1      LEU  20   2.028  -1.918  -9.986
  132   2HD2  LEU  20          2HD1      LEU  20   3.097  -3.251 -10.474
  133   3HD2  LEU  20          3HD1      LEU  20   2.438  -3.203  -8.826
  134    H    CYS  21           H        CYS  21   4.682   0.280  -5.197
  135    HA   CYS  21           HA       CYS  21   6.534  -1.795  -4.412
  136   1HB   CYS  21          1HB       CYS  21   7.142  -0.119  -2.738
  137   2HB   CYS  21          2HB       CYS  21   7.318   0.406  -4.405
  138    H    CYS  22           H        CYS  22   3.712  -0.402  -2.590
  139    HA   CYS  22           HA       CYS  22   4.000  -2.662  -0.551
  140   1HB   CYS  22          1HB       CYS  22   4.388  -0.354   0.534
  141   2HB   CYS  22          2HB       CYS  22   2.715   0.052   0.116
  142    H    ARG  23           H        ARG  23   3.027  -3.395  -2.656
  143    HA   ARG  23           HA       ARG  23   0.194  -2.861  -3.030
  144   1HB   ARG  23          2HB       ARG  23   1.900  -3.479  -4.858
  145   2HB   ARG  23          1HB       ARG  23   1.661  -5.162  -4.426
  146   1HG   ARG  23          2HG       ARG  23  -0.866  -4.803  -4.915
  147   2HG   ARG  23          1HG       ARG  23  -0.485  -3.132  -5.338
  148   1HD   ARG  23          1HD       ARG  23   1.205  -4.135  -7.104
  149   2HD   ARG  23          2HD       ARG  23   0.439  -5.700  -6.785
  150    HE   ARG  23           HE       ARG  23  -1.623  -3.677  -7.405
  151   1HH1  ARG  23          2HH2      ARG  23   0.908  -5.564  -9.040
  152   2HH1  ARG  23          1HH2      ARG  23   0.018  -5.396 -10.636
  153   1HH2  ARG  23          1HH1      ARG  23  -2.557  -3.566  -9.264
  154   2HH2  ARG  23          2HH1      ARG  23  -1.812  -4.340 -10.752
  155    H    LYS  24           H        LYS  24  -0.054  -3.393  -0.764
  156    HA   LYS  24           HA       LYS  24  -0.756  -6.279  -0.089
  157   1HB   LYS  24          1HB       LYS  24  -0.127  -3.775   1.634
  158   2HB   LYS  24          2HB       LYS  24  -0.669  -5.281   2.288
  159   1HG   LYS  24          1HG       LYS  24   1.966  -4.936   0.733
  160   2HG   LYS  24          2HG       LYS  24   1.809  -5.062   2.466
  161   1HD   LYS  24          1HD       LYS  24   1.188  -7.296   0.444
  162   2HD   LYS  24          2HD       LYS  24   2.635  -7.130   1.420
  163   1HE   LYS  24          2HE       LYS  24   1.255  -7.384   3.546
  164   2HE   LYS  24          1HE       LYS  24  -0.203  -7.597   2.565
  165   1HZ   LYS  24          HZ1       LYS  24   2.191  -9.367   2.470
  166   2HZ   LYS  24          HZ2       LYS  24   0.749  -9.720   3.196
  167   3HZ   LYS  24          HZ3       LYS  24   0.829  -9.561   1.554
  168   1HN   NH2  25          1HN       NH2  25  -2.525  -4.936   2.089
  169   2HN   NH2  25          2HN       NH2  25  -4.184  -5.024   1.203
  Start of MODEL    2
    1   1H    GLY   1          1H        GLY   1  -1.466  13.394  -5.476
    2   2H    GLY   1          2H        GLY   1   0.034  12.702  -5.507
    3   3H    GLY   1          3H        GLY   1  -0.138  14.280  -5.050
    4   1HA   GLY   1          2HA       GLY   1  -1.445  13.585  -3.055
    5   2HA   GLY   1          1HA       GLY   1  -1.185  11.931  -3.529
    6    HA   HYP   2           HA       HYP   2   2.313  12.445  -0.882
    7   1HB   HYP   2          1HB       HYP   2   1.475  10.909   1.337
    8   2HB   HYP   2          2HB       HYP   2   1.439  12.672   1.244
    9   1HD   HYP   2          1HD       HYP   2  -1.685  11.805  -1.272
   10   2HD   HYP   2          2HD       HYP   2  -1.213  13.365  -0.670
   11    HOD  HYP   2           HOD      HYP   2  -1.998  12.586   1.571
   12    HG   HYP   2           HG       HYP   2  -0.943  10.766   0.777
   13    HA   HYP   3           HA       HYP   3   3.634   8.275  -2.328
   14   1HB   HYP   3          1HB       HYP   3   5.709   8.415  -0.122
   15   2HB   HYP   3          2HB       HYP   3   5.959   8.154  -1.825
   16   1HD   HYP   3          1HD       HYP   3   4.253  11.886  -1.246
   17   2HD   HYP   3          2HD       HYP   3   4.509  11.076   0.306
   18    HOD  HYP   3           HOD      HYP   3   5.986  11.487  -2.736
   19    HG   HYP   3           HG       HYP   3   6.581  10.547  -0.742
   20    H    CYS   4           H        CYS   4   2.889   6.592  -2.002
   21    HA   CYS   4           HA       CYS   4   1.800   5.087   0.181
   22   1HB   CYS   4          1HB       CYS   4   1.280   4.882  -2.172
   23   2HB   CYS   4          2HB       CYS   4   2.846   4.494  -2.594
   24    H    CYS   5           H        CYS   5   4.961   5.107  -1.260
   25    HA   CYS   5           HA       CYS   5   6.115   3.509   0.954
   26   1HB   CYS   5          1HB       CYS   5   7.192   3.267  -1.799
   27   2HB   CYS   5          2HB       CYS   5   7.591   2.352  -0.365
   28    H    LEU   6           H        LEU   6   7.474   4.799   1.635
   29    HA   LEU   6           HA       LEU   6   8.850   7.074   0.319
   30   1HB   LEU   6          1HB       LEU   6   6.953   7.721   2.055
   31   2HB   LEU   6          2HB       LEU   6   8.177   7.221   3.160
   32    HG   LEU   6           HG       LEU   6   8.168   9.623   1.495
   33   1HD1  LEU   6          1HD1      LEU   6   7.090   9.722   3.736
   34   2HD1  LEU   6          2HD1      LEU   6   8.644   9.254   4.483
   35   3HD1  LEU   6          3HD1      LEU   6   8.498  10.812   3.629
   36   1HD2  LEU   6          1HD2      LEU   6  10.488   8.799   1.208
   37   2HD2  LEU   6          2HD2      LEU   6  10.614   8.583   2.977
   38   3HD2  LEU   6          3HD2      LEU   6  10.480  10.222   2.284
   39    H    TYR   7           H        TYR   7  10.995   6.917   0.849
   40    HA   TYR   7           HA       TYR   7  12.868   5.650   0.772
   41   1HB   TYR   7          1HB       TYR   7  12.014   5.075   3.544
   42   2HB   TYR   7          2HB       TYR   7  13.591   4.979   2.861
   43    HD1  TYR   7           1HD      TYR   7  13.940   7.639   1.408
   44    HD2  TYR   7           2HD      TYR   7  11.983   6.842   5.166
   45    HE1  TYR   7           1HE      TYR   7  14.432   9.916   2.164
   46    HE2  TYR   7           2HE      TYR   7  12.496   9.125   5.900
   47    HH   TYR   7           HH       TYR   7  13.410  11.067   5.372
   48    H    GLY   8           H        GLY   8  11.030   4.105  -0.407
   49   1HA   GLY   8          1HA       GLY   8  10.828   1.890  -1.281
   50   2HA   GLY   8          2HA       GLY   8  11.989   1.251  -0.118
   51    H    SER   9           H        SER   9   9.910   2.721   1.841
   52    HA   SER   9           HA       SER   9   9.381  -0.084   2.677
   53   1HB   SER   9          2HB       SER   9  10.569   1.749   4.071
   54   2HB   SER   9          1HB       SER   9   8.998   2.293   4.580
   55    HG   SER   9           HG       SER   9   8.560   0.143   5.237
   56    H    CYS  10           H        CYS  10   7.268   0.525   4.665
   57    HA   CYS  10           HA       CYS  10   4.780   0.741   2.866
   58   1HB   CYS  10          2HB       CYS  10   5.213  -1.169   5.225
   59   2HB   CYS  10          1HB       CYS  10   3.604  -0.615   4.740
   60    H    ARG  11           H        ARG  11   3.876   2.585   3.239
   61    HA   ARG  11           HA       ARG  11   3.655   3.797   6.013
   62   1HB   ARG  11          1HB       ARG  11   5.546   4.713   4.781
   63   2HB   ARG  11          2HB       ARG  11   4.454   5.234   3.482
   64   1HG   ARG  11          1HG       ARG  11   3.330   6.813   4.885
   65   2HG   ARG  11          2HG       ARG  11   3.994   6.137   6.367
   66   1HD   ARG  11          2HD       ARG  11   5.693   7.646   4.255
   67   2HD   ARG  11          1HD       ARG  11   4.989   8.382   5.689
   68    HE   ARG  11           HE       ARG  11   6.760   5.942   6.119
   69   1HH1  ARG  11          2HH1      ARG  11   6.431   9.470   6.457
   70   2HH1  ARG  11          1HH1      ARG  11   7.906   9.516   7.548
   71   1HH2  ARG  11          2HH2      ARG  11   8.454   6.125   7.329
   72   2HH2  ARG  11          1HH2      ARG  11   8.971   7.751   8.006
   73    HA   HYP  12           HA       HYP  12  -0.300   2.799   4.091
   74   1HB   HYP  12          1HB       HYP  12  -2.096   3.030   6.221
   75   2HB   HYP  12          2HB       HYP  12  -0.897   1.722   6.005
   76   1HD   HYP  12          1HD       HYP  12   1.813   4.206   7.341
   77   2HD   HYP  12          2HD       HYP  12   1.815   2.485   6.854
   78    HOD  HYP  12           HOD      HYP  12   0.337   2.668   9.091
   79    HG   HYP  12           HG       HYP  12  -0.527   4.266   7.720
   80    H    PHE  13           H        PHE  13  -1.531   3.787   2.793
   81    HA   PHE  13           HA       PHE  13  -3.011   6.381   3.349
   82   1HB   PHE  13          1HB       PHE  13  -0.986   6.026   1.006
   83   2HB   PHE  13          2HB       PHE  13  -2.175   7.245   0.958
   84    HD1  PHE  13           1HD      PHE  13  -2.350   8.903   2.980
   85    HD2  PHE  13           2HD      PHE  13   1.109   6.598   1.988
   86    HE1  PHE  13           1HE      PHE  13  -0.947  10.531   4.188
   87    HE2  PHE  13           2HE      PHE  13   2.548   8.237   3.218
   88    HZ   PHE  13           HZ       PHE  13   1.514  10.190   4.327
   89    HA   HYP  14           HA       HYP  14  -5.994   4.624   0.619
   90   1HB   HYP  14          1HB       HYP  14  -7.386   6.721  -0.168
   91   2HB   HYP  14          2HB       HYP  14  -7.244   6.128   1.499
   92   1HD   HYP  14          1HD       HYP  14  -3.990   7.988   1.928
   93   2HD   HYP  14          2HD       HYP  14  -5.283   7.250   2.936
   94    HOD  HYP  14           HOD      HYP  14  -7.227   8.170   2.601
   95    HG   HYP  14           HG       HYP  14  -5.583   8.455   0.309
   96    H    GLY  15           H        GLY  15  -5.751   3.896  -1.109
   97   1HA   GLY  15          1HA       GLY  15  -5.046   3.224  -3.309
   98   2HA   GLY  15          2HA       GLY  15  -4.541   4.869  -3.556
   99    H    CYS  16           H        CYS  16  -3.108   3.500  -0.855
  100    HA   CYS  16           HA       CYS  16  -0.449   3.174  -2.172
  101   1HB   CYS  16          1HB       CYS  16  -0.350   4.279  -0.177
  102   2HB   CYS  16          2HB       CYS  16  -1.286   3.052   0.755
  103    H    TYR  17           H        TYR  17  -2.428   1.131  -0.180
  104    HA   TYR  17           HA       TYR  17  -1.454  -1.541  -1.058
  105   1HB   TYR  17          1HB       TYR  17  -3.687  -2.423  -0.306
  106   2HB   TYR  17          2HB       TYR  17  -2.615  -1.759   0.865
  107    HD1  TYR  17           1HD      TYR  17  -5.734  -0.743  -1.130
  108    HD2  TYR  17           2HD      TYR  17  -3.284   0.055   2.332
  109    HE1  TYR  17           1HE      TYR  17  -7.374   0.880  -0.313
  110    HE2  TYR  17           2HE      TYR  17  -4.933   1.664   3.121
  111    HH   TYR  17           HH       TYR  17  -7.886   2.363   1.248
  112    H    ASN  18           H        ASN  18  -3.332   0.719  -2.865
  113    HA   ASN  18           HA       ASN  18  -3.729  -1.303  -5.095
  114   1HB   ASN  18          1HB       ASN  18  -5.501   0.428  -4.758
  115   2HB   ASN  18          2HB       ASN  18  -4.338   1.630  -5.140
  116   1HD2  ASN  18          1HD2      ASN  18  -3.942   1.730  -7.536
  117   2HD2  ASN  18          2HD2      ASN  18  -5.133   0.876  -8.647
  118    H    ALA  19           H        ALA  19  -1.274   0.799  -4.008
  119    HA   ALA  19           HA       ALA  19   0.054   1.121  -6.735
  120   1HB   ALA  19          1HB       ALA  19  -0.118   3.238  -5.274
  121   2HB   ALA  19          2HB       ALA  19   0.784   2.418  -3.983
  122   3HB   ALA  19          HB3       ALA  19   1.576   2.781  -5.522
  123    H    LEU  20           H        LEU  20   2.168   0.687  -6.994
  124    HA   LEU  20           HA       LEU  20   2.166  -2.025  -6.760
  125   1HB   LEU  20          1HB       LEU  20   2.977  -0.672  -8.698
  126   2HB   LEU  20          2HB       LEU  20   4.509  -0.453  -7.872
  127    HG   LEU  20           HG       LEU  20   4.829  -3.000  -7.890
  128   1HD1  LEU  20          1HD1      LEU  20   2.288  -3.018  -9.665
  129   2HD1  LEU  20          2HD1      LEU  20   2.478  -3.822  -8.087
  130   3HD1  LEU  20          3HD1      LEU  20   3.419  -4.381  -9.474
  131   1HD2  LEU  20          1HD2      LEU  20   4.397  -1.655 -10.617
  132   2HD2  LEU  20          2HD2      LEU  20   5.412  -3.095 -10.292
  133   3HD2  LEU  20          3HD2      LEU  20   5.851  -1.519  -9.585
  134    H    CYS  21           H        CYS  21   4.621   0.044  -5.135
  135    HA   CYS  21           HA       CYS  21   6.427  -2.018  -4.245
  136   1HB   CYS  21          1HB       CYS  21   7.127  -0.215  -2.724
  137   2HB   CYS  21          2HB       CYS  21   7.262   0.156  -4.432
  138    H    CYS  22           H        CYS  22   3.510  -0.800  -2.687
  139    HA   CYS  22           HA       CYS  22   3.865  -2.659  -0.374
  140   1HB   CYS  22          1HB       CYS  22   4.358  -0.263   0.541
  141   2HB   CYS  22          2HB       CYS  22   2.649   0.092   0.220
  142    H    ARG  23           H        ARG  23   2.705  -2.942  -2.802
  143    HA   ARG  23           HA       ARG  23  -0.087  -2.584  -2.767
  144   1HB   ARG  23          2HB       ARG  23   1.393  -3.360  -4.803
  145   2HB   ARG  23          1HB       ARG  23   0.990  -4.998  -4.327
  146   1HG   ARG  23          2HG       ARG  23  -1.505  -4.320  -4.504
  147   2HG   ARG  23          1HG       ARG  23  -0.972  -2.700  -4.949
  148   1HD   ARG  23          2HD       ARG  23   0.319  -3.887  -6.945
  149   2HD   ARG  23          1HD       ARG  23  -0.655  -5.306  -6.583
  150    HE   ARG  23           HE       ARG  23  -1.595  -2.614  -7.638
  151   1HH1  ARG  23          1HH1      ARG  23  -2.656  -5.802  -6.472
  152   2HH1  ARG  23          2HH1      ARG  23  -4.333  -5.513  -7.159
  153   1HH2  ARG  23          1HH2      ARG  23  -3.525  -2.411  -8.419
  154   2HH2  ARG  23          2HH2      ARG  23  -4.789  -3.720  -8.187
  155    H    LYS  24           H        LYS  24   1.529  -5.616  -1.910
  156    HA   LYS  24           HA       LYS  24  -1.032  -6.764  -0.658
  157   1HB   LYS  24          2HB       LYS  24   0.413  -8.135  -2.266
  158   2HB   LYS  24          1HB       LYS  24   1.667  -8.130  -1.022
  159   1HG   LYS  24          1HG       LYS  24   0.029  -9.293   0.571
  160   2HG   LYS  24          2HG       LYS  24  -1.195  -9.238  -0.687
  161   1HD   LYS  24          1HD       LYS  24  -0.325 -11.449  -0.713
  162   2HD   LYS  24          2HD       LYS  24   0.266 -10.681  -2.181
  163   1HE   LYS  24          2HE       LYS  24   2.536 -10.317  -1.058
  164   2HE   LYS  24          1HE       LYS  24   1.915 -11.057   0.425
  165   1HZ   LYS  24          HZ1       LYS  24   3.131 -12.650  -0.923
  166   2HZ   LYS  24          HZ2       LYS  24   1.549 -13.119  -0.832
  167   3HZ   LYS  24          HZ3       LYS  24   2.126 -12.425  -2.215
  168   1HN   NH2  25          1HN       NH2  25  -0.611  -4.782   1.129
  169   2HN   NH2  25          2HN       NH2  25   0.505  -5.388   2.488
  Start of MODEL    3
    1   1H    GLY   1          1H        GLY   1   0.195  12.647  -5.254
    2   2H    GLY   1          2H        GLY   1   0.250  14.247  -4.845
    3   3H    GLY   1          3H        GLY   1  -1.207  13.493  -5.036
    4   1HA   GLY   1          2HA       GLY   1  -0.810  13.748  -2.655
    5   2HA   GLY   1          1HA       GLY   1  -0.787  12.063  -3.090
    6    HA   HYP   2           HA       HYP   2   3.098  12.289  -1.001
    7   1HB   HYP   2          1HB       HYP   2   2.460  10.922   1.388
    8   2HB   HYP   2          2HB       HYP   2   2.573  12.674   1.215
    9   1HD   HYP   2          1HD       HYP   2  -0.958  12.053  -0.781
   10   2HD   HYP   2          2HD       HYP   2  -0.253  13.571  -0.319
   11    HOD  HYP   2           HOD      HYP   2   0.611  13.670   1.816
   12    HG   HYP   2           HG       HYP   2  -0.015  10.989   1.168
   13    HA   HYP   3           HA       HYP   3   3.783   7.985  -2.464
   14   1HB   HYP   3          1HB       HYP   3   6.163   7.924  -0.624
   15   2HB   HYP   3          2HB       HYP   3   6.121   7.650  -2.329
   16   1HD   HYP   3          1HD       HYP   3   4.891  11.526  -1.616
   17   2HD   HYP   3          2HD       HYP   3   5.304  10.731  -0.091
   18    HOD  HYP   3           HOD      HYP   3   6.299  10.928  -3.345
   19    HG   HYP   3           HG       HYP   3   7.129   9.975  -1.450
   20    H    CYS   4           H        CYS   4   2.937   6.382  -1.982
   21    HA   CYS   4           HA       CYS   4   1.857   5.005   0.255
   22   1HB   CYS   4          1HB       CYS   4   1.353   4.734  -2.094
   23   2HB   CYS   4          2HB       CYS   4   2.918   4.248  -2.469
   24    H    CYS   5           H        CYS   5   5.033   4.907  -1.042
   25    HA   CYS   5           HA       CYS   5   6.045   3.192   1.180
   26   1HB   CYS   5          1HB       CYS   5   7.209   3.070  -1.535
   27   2HB   CYS   5          2HB       CYS   5   7.605   2.109  -0.123
   28    H    LEU   6           H        LEU   6   7.427   4.425   2.035
   29    HA   LEU   6           HA       LEU   6   8.420   7.097   1.157
   30   1HB   LEU   6          1HB       LEU   6   6.982   6.740   3.469
   31   2HB   LEU   6          2HB       LEU   6   8.647   6.671   3.921
   32    HG   LEU   6           HG       LEU   6   7.926   8.857   4.165
   33   1HD1  LEU   6          1HD2      LEU   6   9.457   9.059   1.526
   34   2HD1  LEU   6          2HD2      LEU   6  10.191   8.775   3.124
   35   3HD1  LEU   6          3HD2      LEU   6   9.337  10.305   2.794
   36   1HD2  LEU   6          1HD1      LEU   6   5.856   8.826   2.816
   37   2HD2  LEU   6          2HD1      LEU   6   6.822   8.985   1.322
   38   3HD2  LEU   6          3HD1      LEU   6   6.796  10.307   2.520
   39    H    TYR   7           H        TYR   7  10.640   7.081   1.200
   40    HA   TYR   7           HA       TYR   7  12.629   6.090   0.592
   41   1HB   TYR   7          1HB       TYR   7  12.318   5.195   3.408
   42   2HB   TYR   7          2HB       TYR   7  13.762   5.312   2.484
   43    HD1  TYR   7           1HD      TYR   7  14.205   7.856   1.379
   44    HD2  TYR   7           2HD      TYR   7  11.905   7.033   4.931
   45    HE1  TYR   7           1HE      TYR   7  14.531  10.166   2.144
   46    HE2  TYR   7           2HE      TYR   7  12.254   9.345   5.677
   47    HH   TYR   7           HH       TYR   7  14.117  11.662   3.720
   48    H    GLY   8           H        GLY   8  10.880   4.424  -0.449
   49   1HA   GLY   8          1HA       GLY   8  10.758   2.268  -1.486
   50   2HA   GLY   8          2HA       GLY   8  12.107   1.647  -0.527
   51    H    SER   9           H        SER   9  10.188   2.751   1.787
   52    HA   SER   9           HA       SER   9   9.855  -0.139   2.385
   53   1HB   SER   9          2HB       SER   9  11.114   1.495   3.837
   54   2HB   SER   9          1HB       SER   9   9.687   2.091   4.538
   55    HG   SER   9           HG       SER   9   9.115  -0.085   5.068
   56    H    CYS  10           H        CYS  10   7.584   1.094   4.550
   57    HA   CYS  10           HA       CYS  10   5.335   1.336   2.598
   58   1HB   CYS  10          1HB       CYS  10   5.322  -1.059   2.910
   59   2HB   CYS  10          2HB       CYS  10   5.108  -0.933   4.676
   60    H    ARG  11           H        ARG  11   3.654   2.288   3.281
   61    HA   ARG  11           HA       ARG  11   3.566   3.894   5.849
   62   1HB   ARG  11          1HB       ARG  11   5.393   4.669   4.392
   63   2HB   ARG  11          2HB       ARG  11   4.245   4.924   3.096
   64   1HG   ARG  11          2HG       ARG  11   4.619   7.040   3.839
   65   2HG   ARG  11          1HG       ARG  11   3.047   6.644   4.488
   66   1HD   ARG  11          2HD       ARG  11   4.501   7.928   6.125
   67   2HD   ARG  11          1HD       ARG  11   3.972   6.385   6.789
   68    HE   ARG  11           HE       ARG  11   6.260   5.421   6.099
   69   1HH1  ARG  11          2HH1      ARG  11   5.932   8.868   6.938
   70   2HH1  ARG  11          1HH1      ARG  11   7.693   8.934   7.450
   71   1HH2  ARG  11          1HH2      ARG  11   8.268   5.623   6.710
   72   2HH2  ARG  11          2HH2      ARG  11   8.923   7.221   7.328
   73    HA   HYP  12           HA       HYP  12  -0.496   2.769   4.071
   74   1HB   HYP  12          1HB       HYP  12  -2.192   3.099   6.258
   75   2HB   HYP  12          2HB       HYP  12  -1.029   1.758   6.040
   76   1HD   HYP  12          1HD       HYP  12   1.772   4.249   7.188
   77   2HD   HYP  12          2HD       HYP  12   1.752   2.510   6.780
   78    HOD  HYP  12           HOD      HYP  12  -1.165   2.384   8.687
   79    HG   HYP  12           HG       HYP  12  -0.545   4.338   7.670
   80    H    PHE  13           H        PHE  13  -1.667   3.809   2.758
   81    HA   PHE  13           HA       PHE  13  -3.063   6.453   3.300
   82   1HB   PHE  13          1HB       PHE  13  -1.043   6.013   0.967
   83   2HB   PHE  13          2HB       PHE  13  -2.175   7.283   0.914
   84    HD1  PHE  13           1HD      PHE  13  -2.296   8.813   3.154
   85    HD2  PHE  13           2HD      PHE  13   1.103   6.714   1.629
   86    HE1  PHE  13           1HE      PHE  13  -0.813  10.432   4.280
   87    HE2  PHE  13           2HE      PHE  13   2.617   8.352   2.754
   88    HZ   PHE  13           HZ       PHE  13   1.655  10.193   4.097
   89    HA   HYP  14           HA       HYP  14  -6.057   4.829   0.478
   90   1HB   HYP  14          1HB       HYP  14  -7.324   6.990  -0.342
   91   2HB   HYP  14          2HB       HYP  14  -7.264   6.385   1.326
   92   1HD   HYP  14          1HD       HYP  14  -3.953   8.101   1.882
   93   2HD   HYP  14          2HD       HYP  14  -5.313   7.417   2.836
   94    HOD  HYP  14           HOD      HYP  14  -6.276   9.672   2.050
   95    HG   HYP  14           HG       HYP  14  -5.459   8.638   0.204
   96    H    GLY  15           H        GLY  15  -5.799   4.101  -1.256
   97   1HA   GLY  15          1HA       GLY  15  -5.047   3.410  -3.430
   98   2HA   GLY  15          2HA       GLY  15  -4.453   5.030  -3.648
   99    H    CYS  16           H        CYS  16  -3.159   3.638  -0.913
  100    HA   CYS  16           HA       CYS  16  -0.483   3.183  -2.149
  101   1HB   CYS  16          1HB       CYS  16  -0.378   4.299  -0.172
  102   2HB   CYS  16          2HB       CYS  16  -1.415   3.151   0.752
  103    H    TYR  17           H        TYR  17  -2.635   1.237  -0.255
  104    HA   TYR  17           HA       TYR  17  -1.580  -1.474  -0.926
  105   1HB   TYR  17          2HB       TYR  17  -3.920  -2.307  -0.346
  106   2HB   TYR  17          1HB       TYR  17  -2.870  -1.725   0.883
  107    HD1  TYR  17           1HD      TYR  17  -3.523   0.035   2.393
  108    HD2  TYR  17           2HD      TYR  17  -5.825  -0.450  -1.226
  109    HE1  TYR  17           1HE      TYR  17  -5.086   1.737   3.154
  110    HE2  TYR  17           2HE      TYR  17  -7.379   1.267  -0.436
  111    HH   TYR  17           HH       TYR  17  -6.898   2.926   2.675
  112    H    ASN  18           H        ASN  18  -3.508   0.689  -2.844
  113    HA   ASN  18           HA       ASN  18  -3.760  -1.318  -5.087
  114   1HB   ASN  18          1HB       ASN  18  -5.508   0.447  -4.848
  115   2HB   ASN  18          2HB       ASN  18  -4.305   1.628  -5.167
  116   1HD2  ASN  18          1HD2      ASN  18  -3.902   1.827  -7.544
  117   2HD2  ASN  18          2HD2      ASN  18  -5.008   0.930  -8.706
  118    H    ALA  19           H        ALA  19  -1.288   0.780  -3.957
  119    HA   ALA  19           HA       ALA  19   0.058   1.094  -6.671
  120   1HB   ALA  19          1HB       ALA  19  -0.083   3.192  -5.190
  121   2HB   ALA  19          2HB       ALA  19   0.807   2.344  -3.906
  122   3HB   ALA  19          HB3       ALA  19   1.604   2.713  -5.441
  123    H    LEU  20           H        LEU  20   2.136   0.633  -6.965
  124    HA   LEU  20           HA       LEU  20   2.145  -2.065  -6.742
  125   1HB   LEU  20          2HB       LEU  20   3.011  -0.584  -8.633
  126   2HB   LEU  20          1HB       LEU  20   4.541  -0.458  -7.813
  127    HG   LEU  20           HG       LEU  20   4.500  -1.977  -9.742
  128   1HD1  LEU  20          1HD2      LEU  20   6.192  -2.409  -7.925
  129   2HD1  LEU  20          2HD2      LEU  20   5.132  -3.682  -7.268
  130   3HD1  LEU  20          3HD2      LEU  20   5.799  -3.839  -8.904
  131   1HD2  LEU  20          1HD1      LEU  20   2.169  -2.862  -9.582
  132   2HD2  LEU  20          2HD1      LEU  20   3.359  -4.162  -9.796
  133   3HD2  LEU  20          3HD1      LEU  20   2.635  -3.877  -8.195
  134    H    CYS  21           H        CYS  21   4.647  -0.050  -5.114
  135    HA   CYS  21           HA       CYS  21   6.366  -2.149  -4.149
  136   1HB   CYS  21          1HB       CYS  21   7.083  -0.393  -2.615
  137   2HB   CYS  21          2HB       CYS  21   7.230   0.028  -4.308
  138    H    CYS  22           H        CYS  22   3.474  -0.767  -2.655
  139    HA   CYS  22           HA       CYS  22   3.692  -2.718  -0.334
  140   1HB   CYS  22          1HB       CYS  22   4.050  -0.262   0.456
  141   2HB   CYS  22          2HB       CYS  22   2.338   0.002   0.075
  142    H    ARG  23           H        ARG  23   2.492  -2.822  -3.017
  143    HA   ARG  23           HA       ARG  23  -0.291  -3.341  -2.545
  144   1HB   ARG  23          2HB       ARG  23   0.722  -3.185  -4.844
  145   2HB   ARG  23          1HB       ARG  23   1.458  -4.764  -4.634
  146   1HG   ARG  23          1HG       ARG  23  -0.848  -5.777  -4.383
  147   2HG   ARG  23          2HG       ARG  23  -1.588  -4.201  -4.566
  148   1HD   ARG  23          1HD       ARG  23   0.248  -5.463  -6.741
  149   2HD   ARG  23          2HD       ARG  23  -1.479  -5.784  -6.674
  150    HE   ARG  23           HE       ARG  23  -1.448  -2.974  -6.709
  151   1HH1  ARG  23          1HH2      ARG  23  -0.131  -5.491  -8.848
  152   2HH1  ARG  23          2HH2      ARG  23  -0.300  -4.373 -10.293
  153   1HH2  ARG  23          1HH1      ARG  23  -1.542  -1.767  -8.421
  154   2HH2  ARG  23          2HH1      ARG  23  -1.044  -2.412 -10.065
  155    H    LYS  24           H        LYS  24   2.329  -5.818  -2.659
  156    HA   LYS  24           HA       LYS  24   0.671  -7.645  -0.828
  157   1HB   LYS  24          1HB       LYS  24   1.682  -8.366  -3.211
  158   2HB   LYS  24          2HB       LYS  24   3.176  -8.530  -2.370
  159   1HG   LYS  24          1HG       LYS  24   2.026 -10.164  -0.745
  160   2HG   LYS  24          2HG       LYS  24   0.530  -9.968  -1.657
  161   1HD   LYS  24          2HD       LYS  24   1.702 -10.865  -3.744
  162   2HD   LYS  24          1HD       LYS  24   3.184 -11.033  -2.815
  163   1HE   LYS  24          2HE       LYS  24   2.222 -13.227  -2.928
  164   2HE   LYS  24          1HE       LYS  24   2.021 -12.696  -1.260
  165   1HZ   LYS  24          HZ1       LYS  24  -0.098 -12.632  -3.364
  166   2HZ   LYS  24          HZ2       LYS  24   0.007 -13.719  -2.125
  167   3HZ   LYS  24          HZ3       LYS  24  -0.307 -12.129  -1.804
  168   1HN   NH2  25          1HN       NH2  25   3.484  -8.840  -0.313
  169   2HN   NH2  25          2HN       NH2  25   4.372  -7.547   0.668
  Start of MODEL    4
    1   1H    GLY   1          1H        GLY   1  -1.905  12.949  -5.299
    2   2H    GLY   1          2H        GLY   1  -0.801  11.722  -5.373
    3   3H    GLY   1          3H        GLY   1  -0.300  13.268  -5.077
    4   1HA   GLY   1          1HA       GLY   1  -1.488  13.298  -2.932
    5   2HA   GLY   1          2HA       GLY   1  -2.041  11.678  -3.238
    6    HA   HYP   2           HA       HYP   2   1.927  12.203  -0.775
    7   1HB   HYP   2          1HB       HYP   2   1.162  10.971   1.666
    8   2HB   HYP   2          2HB       HYP   2   1.162  12.698   1.329
    9   1HD   HYP   2          1HD       HYP   2  -2.101  11.635  -0.934
   10   2HD   HYP   2          2HD       HYP   2  -1.433  13.200  -0.636
   11    HOD  HYP   2           HOD      HYP   2  -1.023  12.490   2.706
   12    HG   HYP   2           HG       HYP   2  -1.276  10.822   1.192
   13    HA   HYP   3           HA       HYP   3   3.533   8.130  -1.891
   14   1HB   HYP   3          1HB       HYP   3   5.542   8.444   0.370
   15   2HB   HYP   3          2HB       HYP   3   5.857   8.102  -1.304
   16   1HD   HYP   3          1HD       HYP   3   3.887  11.726  -1.029
   17   2HD   HYP   3          2HD       HYP   3   4.211  11.088   0.589
   18    HOD  HYP   3           HOD      HYP   3   4.798  10.016  -2.764
   19    HG   HYP   3           HG       HYP   3   6.293  10.602  -0.418
   20    H    CYS   4           H        CYS   4   3.046   6.346  -1.621
   21    HA   CYS   4           HA       CYS   4   1.887   4.838   0.571
   22   1HB   CYS   4          1HB       CYS   4   1.340   4.722  -1.807
   23   2HB   CYS   4          2HB       CYS   4   2.904   4.273  -2.218
   24    H    CYS   5           H        CYS   5   5.038   5.008  -0.844
   25    HA   CYS   5           HA       CYS   5   6.255   3.398   1.333
   26   1HB   CYS   5          1HB       CYS   5   7.117   3.035  -1.479
   27   2HB   CYS   5          2HB       CYS   5   7.744   2.230  -0.052
   28    H    LEU   6           H        LEU   6   7.716   4.674   1.938
   29    HA   LEU   6           HA       LEU   6   8.840   7.047   0.447
   30   1HB   LEU   6          2HB       LEU   6   7.469   7.694   2.336
   31   2HB   LEU   6          1HB       LEU   6   8.562   6.860   3.413
   32    HG   LEU   6           HG       LEU   6  10.282   8.424   2.750
   33   1HD1  LEU   6          1HD2      LEU   6   8.115   9.955   1.171
   34   2HD1  LEU   6          2HD2      LEU   6   9.747  10.591   1.510
   35   3HD1  LEU   6          3HD2      LEU   6   9.554   9.178   0.457
   36   1HD2  LEU   6          1HD1      LEU   6   9.083   8.855   4.751
   37   2HD2  LEU   6          2HD1      LEU   6   7.854   9.814   3.859
   38   3HD2  LEU   6          3HD1      LEU   6   9.553  10.387   3.979
   39    H    TYR   7           H        TYR   7  10.957   6.741   0.009
   40    HA   TYR   7           HA       TYR   7  12.879   5.626  -0.297
   41   1HB   TYR   7          1HB       TYR   7  12.830   5.791   2.656
   42   2HB   TYR   7          2HB       TYR   7  14.144   5.293   1.677
   43    HD1  TYR   7           1HD      TYR   7  12.529   8.183   3.117
   44    HD2  TYR   7           2HD      TYR   7  15.030   7.046  -0.200
   45    HE1  TYR   7           1HE      TYR   7  13.178  10.528   2.789
   46    HE2  TYR   7           2HE      TYR   7  15.677   9.396  -0.500
   47    HH   TYR   7           HH       TYR   7  15.438  11.479   0.208
   48    H    GLY   8           H        GLY   8  11.027   3.789  -0.671
   49   1HA   GLY   8          1HA       GLY   8  10.971   1.468  -1.210
   50   2HA   GLY   8          2HA       GLY   8  12.322   1.095  -0.118
   51    H    SER   9           H        SER   9  10.295   2.823   1.787
   52    HA   SER   9           HA       SER   9   9.942   0.342   3.198
   53   1HB   SER   9          1HB       SER   9   9.757   1.889   5.043
   54   2HB   SER   9          2HB       SER   9  10.903   2.592   4.093
   55    HG   SER   9           HG       SER   9   9.316   4.042   4.829
   56    H    CYS  10           H        CYS  10   7.463   1.702   4.687
   57    HA   CYS  10           HA       CYS  10   5.334   1.499   2.727
   58   1HB   CYS  10          1HB       CYS  10   5.390  -0.855   3.069
   59   2HB   CYS  10          2HB       CYS  10   5.185  -0.743   4.839
   60    H    ARG  11           H        ARG  11   3.666   2.496   3.295
   61    HA   ARG  11           HA       ARG  11   3.351   4.000   5.919
   62   1HB   ARG  11          1HB       ARG  11   5.121   4.967   4.570
   63   2HB   ARG  11          2HB       ARG  11   3.985   5.208   3.229
   64   1HG   ARG  11          1HG       ARG  11   2.682   6.809   4.475
   65   2HG   ARG  11          2HG       ARG  11   3.465   6.428   5.996
   66   1HD   ARG  11          1HD       ARG  11   4.970   7.732   3.604
   67   2HD   ARG  11          2HD       ARG  11   4.197   8.651   4.884
   68    HE   ARG  11           HE       ARG  11   6.293   6.510   5.560
   69   1HH1  ARG  11          2HH2      ARG  11   5.281   9.914   5.824
   70   2HH1  ARG  11          1HH2      ARG  11   6.592  10.220   7.071
   71   1HH2  ARG  11          1HH1      ARG  11   7.763   6.986   6.966
   72   2HH2  ARG  11          2HH1      ARG  11   7.900   8.674   7.671
   73    HA   HYP  12           HA       HYP  12  -0.592   2.629   3.991
   74   1HB   HYP  12          1HB       HYP  12  -2.345   2.721   6.162
   75   2HB   HYP  12          2HB       HYP  12  -1.093   1.476   5.889
   76   1HD   HYP  12          1HD       HYP  12   1.494   4.115   7.232
   77   2HD   HYP  12          2HD       HYP  12   1.630   2.402   6.743
   78    HOD  HYP  12           HOD      HYP  12  -1.302   1.931   8.562
   79    HG   HYP  12           HG       HYP  12  -0.820   3.984   7.675
   80    H    PHE  13           H        PHE  13  -1.905   3.603   2.763
   81    HA   PHE  13           HA       PHE  13  -3.488   6.106   3.398
   82   1HB   PHE  13          1HB       PHE  13  -1.393   5.958   1.092
   83   2HB   PHE  13          2HB       PHE  13  -2.631   7.127   1.069
   84    HD1  PHE  13           1HD      PHE  13  -2.937   8.534   3.373
   85    HD2  PHE  13           2HD      PHE  13   0.673   6.802   1.863
   86    HE1  PHE  13           1HE      PHE  13  -1.633  10.244   4.581
   87    HE2  PHE  13           2HE      PHE  13   2.001   8.543   3.077
   88    HZ   PHE  13           HZ       PHE  13   0.847  10.236   4.450
   89    HA   HYP  14           HA       HYP  14  -6.262   4.425   0.358
   90   1HB   HYP  14          1HB       HYP  14  -7.676   6.526  -0.354
   91   2HB   HYP  14          2HB       HYP  14  -7.618   5.815   1.272
   92   1HD   HYP  14          1HD       HYP  14  -4.483   7.750   2.054
   93   2HD   HYP  14          2HD       HYP  14  -5.816   6.915   2.926
   94    HOD  HYP  14           HOD      HYP  14  -6.943   9.116   2.243
   95    HG   HYP  14           HG       HYP  14  -5.980   8.279   0.367
   96    H    GLY  15           H        GLY  15  -5.874   3.867  -1.426
   97   1HA   GLY  15          1HA       GLY  15  -4.918   3.414  -3.575
   98   2HA   GLY  15          2HA       GLY  15  -4.417   5.079  -3.615
   99    H    CYS  16           H        CYS  16  -3.211   3.536  -0.912
  100    HA   CYS  16           HA       CYS  16  -0.454   3.228  -2.030
  101   1HB   CYS  16          1HB       CYS  16  -0.458   4.233   0.006
  102   2HB   CYS  16          2HB       CYS  16  -1.524   3.024   0.809
  103    H    TYR  17           H        TYR  17  -2.613   1.136  -0.277
  104    HA   TYR  17           HA       TYR  17  -1.563  -1.496  -1.211
  105   1HB   TYR  17          1HB       TYR  17  -3.809  -2.447  -0.584
  106   2HB   TYR  17          2HB       TYR  17  -2.779  -1.837   0.652
  107    HD1  TYR  17           1HD      TYR  17  -3.528  -0.153   2.213
  108    HD2  TYR  17           2HD      TYR  17  -5.836  -0.712  -1.391
  109    HE1  TYR  17           1HE      TYR  17  -5.206   1.398   3.043
  110    HE2  TYR  17           2HE      TYR  17  -7.506   0.852  -0.535
  111    HH   TYR  17           HH       TYR  17  -8.084   2.230   1.103
  112    H    ASN  18           H        ASN  18  -3.335   0.807  -2.997
  113    HA   ASN  18           HA       ASN  18  -3.635  -1.124  -5.317
  114   1HB   ASN  18          1HB       ASN  18  -5.448   0.521  -5.036
  115   2HB   ASN  18          2HB       ASN  18  -4.317   1.791  -5.232
  116   1HD2  ASN  18          1HD2      ASN  18  -3.778   2.128  -7.575
  117   2HD2  ASN  18          2HD2      ASN  18  -4.835   1.307  -8.836
  118    H    ALA  19           H        ALA  19  -1.276   1.034  -4.062
  119    HA   ALA  19           HA       ALA  19   0.180   1.438  -6.700
  120   1HB   ALA  19          1HB       ALA  19  -0.005   3.476  -5.155
  121   2HB   ALA  19          2HB       ALA  19   1.690   2.987  -5.324
  122   3HB   ALA  19          HB3       ALA  19   0.800   2.571  -3.853
  123    H    LEU  20           H        LEU  20   2.297   0.970  -6.897
  124    HA   LEU  20           HA       LEU  20   2.169  -1.744  -6.918
  125   1HB   LEU  20          2HB       LEU  20   3.389   0.030  -8.505
  126   2HB   LEU  20          1HB       LEU  20   4.831  -0.421  -7.658
  127    HG   LEU  20           HG       LEU  20   4.623  -1.527  -9.786
  128   1HD1  LEU  20          1HD2      LEU  20   5.075  -3.854  -9.296
  129   2HD1  LEU  20          2HD2      LEU  20   5.728  -2.889  -7.955
  130   3HD1  LEU  20          3HD2      LEU  20   4.202  -3.790  -7.755
  131   1HD2  LEU  20          1HD1      LEU  20   2.851  -3.097 -10.464
  132   2HD2  LEU  20          2HD1      LEU  20   2.135  -1.526 -10.052
  133   3HD2  LEU  20          3HD1      LEU  20   2.002  -2.890  -8.915
  134    H    CYS  21           H        CYS  21   4.437   0.071  -4.814
  135    HA   CYS  21           HA       CYS  21   6.190  -2.109  -4.045
  136   1HB   CYS  21          1HB       CYS  21   6.848  -0.492  -2.346
  137   2HB   CYS  21          2HB       CYS  21   7.023   0.090  -3.994
  138    H    CYS  22           H        CYS  22   3.170  -1.056  -2.567
  139    HA   CYS  22           HA       CYS  22   3.644  -2.803  -0.137
  140   1HB   CYS  22          2HB       CYS  22   4.115  -0.363   0.602
  141   2HB   CYS  22          1HB       CYS  22   2.399  -0.022   0.317
  142    H    ARG  23           H        ARG  23   2.628  -3.479  -2.087
  143    HA   ARG  23           HA       ARG  23  -0.209  -2.910  -2.487
  144   1HB   ARG  23          1HB       ARG  23   1.635  -2.809  -4.104
  145   2HB   ARG  23          2HB       ARG  23   1.497  -4.470  -4.499
  146   1HG   ARG  23          1HG       ARG  23  -0.729  -2.335  -4.715
  147   2HG   ARG  23          2HG       ARG  23   0.303  -2.856  -6.033
  148   1HD   ARG  23          2HD       ARG  23  -0.659  -5.149  -5.992
  149   2HD   ARG  23          1HD       ARG  23  -1.638  -4.754  -4.577
  150    HE   ARG  23           HE       ARG  23  -1.954  -3.194  -7.209
  151   1HH1  ARG  23          2HH2      ARG  23  -3.492  -5.140  -4.656
  152   2HH1  ARG  23          1HH2      ARG  23  -5.141  -4.809  -5.388
  153   1HH2  ARG  23          1HH1      ARG  23  -3.872  -2.896  -7.950
  154   2HH2  ARG  23          2HH1      ARG  23  -5.339  -3.626  -7.124
  155    H    LYS  24           H        LYS  24   1.469  -6.079  -2.649
  156    HA   LYS  24           HA       LYS  24  -1.159  -7.526  -2.091
  157   1HB   LYS  24          1HB       LYS  24   1.504  -8.414  -3.406
  158   2HB   LYS  24          2HB       LYS  24   0.201  -9.492  -3.018
  159   1HG   LYS  24          1HG       LYS  24  -0.059  -7.149  -5.002
  160   2HG   LYS  24          2HG       LYS  24   0.190  -8.829  -5.425
  161   1HD   LYS  24          1HD       LYS  24  -2.033  -9.430  -4.352
  162   2HD   LYS  24          2HD       LYS  24  -2.305  -7.719  -4.001
  163   1HE   LYS  24          2HE       LYS  24  -2.177  -7.175  -6.476
  164   2HE   LYS  24          1HE       LYS  24  -1.919  -8.888  -6.839
  165   1HZ   LYS  24          HZ1       LYS  24  -4.333  -7.766  -5.498
  166   2HZ   LYS  24          HZ2       LYS  24  -4.243  -8.274  -7.068
  167   3HZ   LYS  24          HZ3       LYS  24  -4.094  -9.365  -5.836
  168   1HN   NH2  25          1HN       NH2  25   0.759  -9.807  -1.204
  169   2HN   NH2  25          2HN       NH2  25   0.765  -9.474   0.648
  Start of MODEL    5
    1   1H    GLY   1          1H        GLY   1  -0.307  13.293  -5.196
    2   2H    GLY   1          2H        GLY   1  -0.213  11.645  -5.254
    3   3H    GLY   1          3H        GLY   1  -1.678  12.394  -5.403
    4   1HA   GLY   1          2HA       GLY   1  -1.628  13.168  -3.098
    5   2HA   GLY   1          1HA       GLY   1  -1.468  11.438  -3.165
    6    HA   HYP   2           HA       HYP   2   2.091  12.349  -0.702
    7   1HB   HYP   2          1HB       HYP   2   1.218  11.214   1.720
    8   2HB   HYP   2          2HB       HYP   2   1.256  12.947   1.321
    9   1HD   HYP   2          1HD       HYP   2  -1.844  12.677  -0.911
   10   2HD   HYP   2          2HD       HYP   2  -1.597  10.951  -0.864
   11    HOD  HYP   2           HOD      HYP   2  -0.674  13.991   0.779
   12    HG   HYP   2           HG       HYP   2  -1.270  11.357   1.604
   13    HA   HYP   3           HA       HYP   3   3.612   8.363  -1.854
   14   1HB   HYP   3          1HB       HYP   3   5.488   8.506   0.528
   15   2HB   HYP   3          2HB       HYP   3   5.944   8.306  -1.150
   16   1HD   HYP   3          1HD       HYP   3   4.124  11.212   0.904
   17   2HD   HYP   3          2HD       HYP   3   4.091  11.792  -0.734
   18    HOD  HYP   3           HOD      HYP   3   5.140  10.388  -2.441
   19    HG   HYP   3           HG       HYP   3   6.308  10.661   0.136
   20    H    CYS   4           H        CYS   4   2.991   6.610  -1.700
   21    HA   CYS   4           HA       CYS   4   1.836   4.958   0.377
   22   1HB   CYS   4          1HB       CYS   4   1.300   4.943  -2.007
   23   2HB   CYS   4          2HB       CYS   4   2.868   4.554  -2.435
   24    H    CYS   5           H        CYS   5   4.991   5.192  -1.065
   25    HA   CYS   5           HA       CYS   5   6.179   3.403   0.961
   26   1HB   CYS   5          1HB       CYS   5   7.160   3.314  -1.841
   27   2HB   CYS   5          2HB       CYS   5   7.596   2.295  -0.489
   28    H    LEU   6           H        LEU   6   7.600   4.580   1.678
   29    HA   LEU   6           HA       LEU   6   8.879   7.031   0.489
   30   1HB   LEU   6          2HB       LEU   6   7.045   7.585   1.899
   31   2HB   LEU   6          1HB       LEU   6   7.890   6.927   3.273
   32    HG   LEU   6           HG       LEU   6   7.963   9.380   2.909
   33   1HD1  LEU   6          1HD1      LEU   6  10.702   8.134   3.230
   34   2HD1  LEU   6          2HD1      LEU   6   9.460   8.232   4.496
   35   3HD1  LEU   6          3HD1      LEU   6  10.179   9.729   3.856
   36   1HD2  LEU   6          1HD2      LEU   6   9.543  10.547   1.468
   37   2HD2  LEU   6          2HD2      LEU   6   8.449   9.559   0.472
   38   3HD2  LEU   6          3HD2      LEU   6  10.116   9.008   0.782
   39    H    TYR   7           H        TYR   7  11.054   6.807   0.673
   40    HA   TYR   7           HA       TYR   7  12.936   5.515   0.438
   41   1HB   TYR   7          1HB       TYR   7  12.406   5.146   3.324
   42   2HB   TYR   7          2HB       TYR   7  13.885   4.995   2.462
   43    HD1  TYR   7           1HD      TYR   7  13.003   6.860   4.938
   44    HD2  TYR   7           2HD      TYR   7  13.561   7.741   0.751
   45    HE1  TYR   7           1HE      TYR   7  13.509   9.194   5.478
   46    HE2  TYR   7           2HE      TYR   7  14.052  10.064   1.323
   47    HH   TYR   7           HH       TYR   7  14.014  11.197   4.694
   48    H    GLY   8           H        GLY   8  11.063   3.960  -0.520
   49   1HA   GLY   8          1HA       GLY   8  10.877   1.721  -1.302
   50   2HA   GLY   8          2HA       GLY   8  12.022   1.116  -0.105
   51    H    SER   9           H        SER   9  10.121   2.624   1.863
   52    HA   SER   9           HA       SER   9   9.357  -0.142   2.656
   53   1HB   SER   9          2HB       SER   9  10.733   1.504   4.062
   54   2HB   SER   9          1HB       SER   9   9.267   2.229   4.623
   55    HG   SER   9           HG       SER   9   9.950   0.554   5.936
   56    H    CYS  10           H        CYS  10   7.286   0.794   4.709
   57    HA   CYS  10           HA       CYS  10   4.840   0.923   2.846
   58   1HB   CYS  10          2HB       CYS  10   5.265  -0.933   5.246
   59   2HB   CYS  10          1HB       CYS  10   3.649  -0.417   4.755
   60    H    ARG  11           H        ARG  11   3.813   2.705   3.157
   61    HA   ARG  11           HA       ARG  11   3.609   4.079   5.855
   62   1HB   ARG  11          1HB       ARG  11   5.405   5.021   4.508
   63   2HB   ARG  11          2HB       ARG  11   4.238   5.391   3.216
   64   1HG   ARG  11          1HG       ARG  11   2.994   6.895   4.654
   65   2HG   ARG  11          2HG       ARG  11   3.907   6.419   6.082
   66   1HD   ARG  11          2HD       ARG  11   5.171   7.953   3.692
   67   2HD   ARG  11          1HD       ARG  11   4.475   8.726   5.114
   68    HE   ARG  11           HE       ARG  11   6.551   6.583   5.640
   69   1HH1  ARG  11          1HH2      ARG  11   5.928  10.083   5.455
   70   2HH1  ARG  11          2HH2      ARG  11   7.367  10.417   6.543
   71   1HH2  ARG  11          1HH1      ARG  11   8.162   7.086   6.895
   72   2HH2  ARG  11          2HH1      ARG  11   8.545   8.834   7.302
   73    HA   HYP  12           HA       HYP  12  -0.353   2.798   4.006
   74   1HB   HYP  12          1HB       HYP  12  -2.090   2.916   6.192
   75   2HB   HYP  12          2HB       HYP  12  -0.840   1.668   5.921
   76   1HD   HYP  12          1HD       HYP  12   1.874   2.575   6.714
   77   2HD   HYP  12          2HD       HYP  12   1.777   4.290   7.210
   78    HOD  HYP  12           HOD      HYP  12   0.448   2.629   8.982
   79    HG   HYP  12           HG       HYP  12  -0.543   4.200   7.669
   80    H    PHE  13           H        PHE  13  -1.650   3.757   2.756
   81    HA   PHE  13           HA       PHE  13  -3.257   6.251   3.386
   82   1HB   PHE  13          1HB       PHE  13  -1.212   6.081   1.037
   83   2HB   PHE  13          2HB       PHE  13  -2.467   7.234   1.020
   84    HD1  PHE  13           1HD      PHE  13   0.853   6.826   1.940
   85    HD2  PHE  13           2HD      PHE  13  -2.751   8.764   3.179
   86    HE1  PHE  13           1HE      PHE  13   2.191   8.528   3.205
   87    HE2  PHE  13           2HE      PHE  13  -1.447  10.433   4.437
   88    HZ   PHE  13           HZ       PHE  13   1.036  10.306   4.468
   89    HA   HYP  14           HA       HYP  14  -6.130   4.441   0.560
   90   1HB   HYP  14          1HB       HYP  14  -7.608   6.491  -0.177
   91   2HB   HYP  14          2HB       HYP  14  -7.462   5.850   1.472
   92   1HD   HYP  14          1HD       HYP  14  -4.313   7.851   2.016
   93   2HD   HYP  14          2HD       HYP  14  -5.584   7.021   2.980
   94    HOD  HYP  14           HOD      HYP  14  -7.566   7.851   2.639
   95    HG   HYP  14           HG       HYP  14  -5.901   8.294   0.388
   96    H    GLY  15           H        GLY  15  -5.815   3.786  -1.189
   97   1HA   GLY  15          1HA       GLY  15  -5.021   3.238  -3.391
   98   2HA   GLY  15          2HA       GLY  15  -4.554   4.905  -3.552
   99    H    CYS  16           H        CYS  16  -3.157   3.502  -0.855
  100    HA   CYS  16           HA       CYS  16  -0.467   3.229  -2.120
  101   1HB   CYS  16          1HB       CYS  16  -0.397   4.298  -0.105
  102   2HB   CYS  16          2HB       CYS  16  -1.355   3.057   0.785
  103    H    TYR  17           H        TYR  17  -2.452   1.140  -0.165
  104    HA   TYR  17           HA       TYR  17  -1.417  -1.497  -1.080
  105   1HB   TYR  17          1HB       TYR  17  -3.591  -2.466  -0.288
  106   2HB   TYR  17          2HB       TYR  17  -2.534  -1.751   0.868
  107    HD1  TYR  17           1HD      TYR  17  -5.717  -0.889  -1.092
  108    HD2  TYR  17           2HD      TYR  17  -3.264   0.044   2.333
  109    HE1  TYR  17           1HE      TYR  17  -7.419   0.661  -0.267
  110    HE2  TYR  17           2HE      TYR  17  -4.974   1.580   3.133
  111    HH   TYR  17           HH       TYR  17  -7.980   2.132   1.294
  112    H    ASN  18           H        ASN  18  -3.264   0.730  -2.882
  113    HA   ASN  18           HA       ASN  18  -3.632  -1.309  -5.107
  114   1HB   ASN  18          1HB       ASN  18  -5.475   0.320  -4.810
  115   2HB   ASN  18          2HB       ASN  18  -4.372   1.594  -5.122
  116   1HD2  ASN  18          1HD2      ASN  18  -3.890   1.768  -7.502
  117   2HD2  ASN  18          2HD2      ASN  18  -5.012   0.899  -8.674
  118    H    ALA  19           H        ALA  19  -1.280   0.894  -3.993
  119    HA   ALA  19           HA       ALA  19   0.109   1.250  -6.675
  120   1HB   ALA  19          1HB       ALA  19   0.827   2.430  -3.867
  121   2HB   ALA  19          2HB       ALA  19  -0.044   3.317  -5.131
  122   3HB   ALA  19          HB3       ALA  19   1.645   2.839  -5.376
  123    H    LEU  20           H        LEU  20   2.171   0.738  -6.971
  124    HA   LEU  20           HA       LEU  20   2.116  -1.967  -6.715
  125   1HB   LEU  20          1HB       LEU  20   2.938  -0.521  -8.656
  126   2HB   LEU  20          2HB       LEU  20   4.506  -0.441  -7.906
  127    HG   LEU  20           HG       LEU  20   4.300  -1.979  -9.822
  128   1HD1  LEU  20          1HD2      LEU  20   5.042  -3.660  -7.362
  129   2HD1  LEU  20          2HD2      LEU  20   6.090  -2.427  -8.108
  130   3HD1  LEU  20          3HD2      LEU  20   5.600  -3.862  -9.033
  131   1HD2  LEU  20          1HD1      LEU  20   2.502  -3.824  -8.137
  132   2HD2  LEU  20          2HD1      LEU  20   3.102  -4.125  -9.785
  133   3HD2  LEU  20          3HD1      LEU  20   1.954  -2.803  -9.490
  134    H    CYS  21           H        CYS  21   4.648   0.054  -5.174
  135    HA   CYS  21           HA       CYS  21   6.413  -2.026  -4.232
  136   1HB   CYS  21          1HB       CYS  21   7.134  -0.187  -2.751
  137   2HB   CYS  21          2HB       CYS  21   7.287   0.120  -4.472
  138    H    CYS  22           H        CYS  22   3.514  -0.742  -2.682
  139    HA   CYS  22           HA       CYS  22   3.877  -2.570  -0.344
  140   1HB   CYS  22          1HB       CYS  22   4.373  -0.142   0.519
  141   2HB   CYS  22          2HB       CYS  22   2.655   0.183   0.222
  142    H    ARG  23           H        ARG  23   2.704  -2.884  -2.759
  143    HA   ARG  23           HA       ARG  23  -0.087  -2.526  -2.715
  144   1HB   ARG  23          2HB       ARG  23   1.375  -3.302  -4.750
  145   2HB   ARG  23          1HB       ARG  23   1.010  -4.944  -4.256
  146   1HG   ARG  23          2HG       ARG  23  -1.499  -4.318  -4.427
  147   2HG   ARG  23          1HG       ARG  23  -0.999  -2.692  -4.890
  148   1HD   ARG  23          2HD       ARG  23   0.305  -3.866  -6.881
  149   2HD   ARG  23          1HD       ARG  23  -0.627  -5.309  -6.498
  150    HE   ARG  23           HE       ARG  23  -1.654  -2.650  -7.562
  151   1HH1  ARG  23          1HH1      ARG  23  -2.598  -5.876  -6.402
  152   2HH1  ARG  23          2HH1      ARG  23  -4.281  -5.652  -7.098
  153   1HH2  ARG  23          1HH2      ARG  23  -3.587  -2.521  -8.353
  154   2HH2  ARG  23          2HH2      ARG  23  -4.801  -3.878  -8.128
  155    H    LYS  24           H        LYS  24   1.537  -5.553  -1.854
  156    HA   LYS  24           HA       LYS  24  -1.037  -6.683  -0.596
  157   1HB   LYS  24          2HB       LYS  24   0.297  -8.011  -2.328
  158   2HB   LYS  24          1HB       LYS  24   1.584  -8.146  -1.125
  159   1HG   LYS  24          1HG       LYS  24  -0.046  -9.296   0.446
  160   2HG   LYS  24          2HG       LYS  24  -1.322  -9.154  -0.752
  161   1HD   LYS  24          2HD       LYS  24   1.317 -10.713  -1.158
  162   2HD   LYS  24          1HD       LYS  24  -0.191 -11.421  -0.596
  163   1HE   LYS  24          1HE       LYS  24  -1.334 -10.770  -2.775
  164   2HE   LYS  24          2HE       LYS  24   0.191 -10.098  -3.369
  165   1HZ   LYS  24          HZ1       LYS  24   1.191 -12.311  -3.144
  166   2HZ   LYS  24          HZ2       LYS  24  -0.232 -12.942  -2.592
  167   3HZ   LYS  24          HZ3       LYS  24  -0.129 -12.361  -4.135
  168   1HN   NH2  25          1HN       NH2  25  -0.492  -4.825   1.281
  169   2HN   NH2  25          2HN       NH2  25   0.659  -5.537   2.556
  Start of MODEL    6
    1   1H    GLY   1          1H        GLY   1  -0.093  13.916  -5.038
    2   2H    GLY   1          2H        GLY   1  -0.545  12.404  -5.526
    3   3H    GLY   1          3H        GLY   1  -1.676  13.600  -5.389
    4   1HA   GLY   1          1HA       GLY   1  -1.407  13.699  -2.978
    5   2HA   GLY   1          2HA       GLY   1  -1.909  12.114  -3.488
    6    HA   HYP   2           HA       HYP   2   1.900  12.428  -0.750
    7   1HB   HYP   2          1HB       HYP   2   1.020  10.948   1.503
    8   2HB   HYP   2          2HB       HYP   2   0.999  12.701   1.344
    9   1HD   HYP   2          1HD       HYP   2  -2.103  11.824  -1.208
   10   2HD   HYP   2          2HD       HYP   2  -1.489  13.359  -0.707
   11    HOD  HYP   2           HOD      HYP   2  -1.261  12.299   2.562
   12    HG   HYP   2           HG       HYP   2  -1.380  10.799   0.865
   13    HA   HYP   3           HA       HYP   3   3.561   8.358  -2.007
   14   1HB   HYP   3          1HB       HYP   3   5.513   8.631   0.313
   15   2HB   HYP   3          2HB       HYP   3   5.874   8.367  -1.366
   16   1HD   HYP   3          1HD       HYP   3   3.878  11.973  -0.966
   17   2HD   HYP   3          2HD       HYP   3   4.126  11.229   0.620
   18    HOD  HYP   3           HOD      HYP   3   6.453  10.270  -2.530
   19    HG   HYP   3           HG       HYP   3   6.266  10.821  -0.323
   20    H    CYS   4           H        CYS   4   3.052   6.573  -1.754
   21    HA   CYS   4           HA       CYS   4   1.916   5.068   0.452
   22   1HB   CYS   4          1HB       CYS   4   1.348   4.932  -1.934
   23   2HB   CYS   4          2HB       CYS   4   2.912   4.481  -2.341
   24    H    CYS   5           H        CYS   5   5.048   5.245  -1.000
   25    HA   CYS   5           HA       CYS   5   6.270   3.523   1.093
   26   1HB   CYS   5          1HB       CYS   5   7.189   3.412  -1.729
   27   2HB   CYS   5          2HB       CYS   5   7.782   2.486  -0.365
   28    H    LEU   6           H        LEU   6   7.688   4.768   1.803
   29    HA   LEU   6           HA       LEU   6   9.049   7.068   0.423
   30   1HB   LEU   6          2HB       LEU   6   7.546   7.802   2.210
   31   2HB   LEU   6          1HB       LEU   6   8.560   6.979   3.372
   32    HG   LEU   6           HG       LEU   6  10.356   8.509   2.682
   33   1HD1  LEU   6          1HD2      LEU   6   9.570   9.250   0.388
   34   2HD1  LEU   6          2HD2      LEU   6   8.154  10.032   1.137
   35   3HD1  LEU   6          3HD2      LEU   6   9.795  10.668   1.432
   36   1HD2  LEU   6          1HD1      LEU   6   7.939   9.875   3.832
   37   2HD2  LEU   6          2HD1      LEU   6   9.635  10.470   3.915
   38   3HD2  LEU   6          3HD1      LEU   6   9.200   8.932   4.693
   39    H    TYR   7           H        TYR   7  11.142   6.543   0.168
   40    HA   TYR   7           HA       TYR   7  12.990   5.304   0.052
   41   1HB   TYR   7          1HB       TYR   7  12.705   5.462   2.987
   42   2HB   TYR   7          2HB       TYR   7  14.054   4.869   2.110
   43    HD1  TYR   7           1HD      TYR   7  12.480   7.885   3.382
   44    HD2  TYR   7           2HD      TYR   7  15.280   6.543   0.396
   45    HE1  TYR   7           1HE      TYR   7  13.329  10.176   3.134
   46    HE2  TYR   7           2HE      TYR   7  16.123   8.840   0.173
   47    HH   TYR   7           HH       TYR   7  14.763  11.507   2.099
   48    H    GLY   8           H        GLY   8  11.075   3.598  -0.534
   49   1HA   GLY   8          1HA       GLY   8  10.963   1.287  -1.114
   50   2HA   GLY   8          2HA       GLY   8  12.153   0.833   0.124
   51    H    SER   9           H        SER   9  10.069   2.638   1.836
   52    HA   SER   9           HA       SER   9   9.433   0.168   3.183
   53   1HB   SER   9          1HB       SER   9   9.079   1.785   5.000
   54   2HB   SER   9          2HB       SER   9  10.385   2.345   4.207
   55    HG   SER   9           HG       SER   9   8.824   3.943   4.668
   56    H    CYS  10           H        CYS  10   7.076   0.779   4.620
   57    HA   CYS  10           HA       CYS  10   4.886   1.200   2.551
   58   1HB   CYS  10          2HB       CYS  10   4.931  -1.297   3.382
   59   2HB   CYS  10          1HB       CYS  10   4.296  -0.619   4.905
   60    H    ARG  11           H        ARG  11   3.415   2.523   3.140
   61    HA   ARG  11           HA       ARG  11   3.337   3.956   5.816
   62   1HB   ARG  11          1HB       ARG  11   5.086   4.849   4.370
   63   2HB   ARG  11          2HB       ARG  11   3.864   5.231   3.138
   64   1HG   ARG  11          2HG       ARG  11   2.779   6.849   4.550
   65   2HG   ARG  11          1HG       ARG  11   3.636   6.330   5.990
   66   1HD   ARG  11          1HD       ARG  11   5.053   7.672   3.569
   67   2HD   ARG  11          2HD       ARG  11   4.454   8.556   4.961
   68    HE   ARG  11           HE       ARG  11   6.449   6.240   5.297
   69   1HH1  ARG  11          2HH2      ARG  11   5.620   9.627   6.013
   70   2HH1  ARG  11          1HH2      ARG  11   7.025   9.734   7.189
   71   1HH2  ARG  11          2HH1      ARG  11   8.038   6.493   6.624
   72   2HH2  ARG  11          1HH1      ARG  11   8.299   8.079   7.509
   73    HA   HYP  12           HA       HYP  12  -0.739   2.775   4.149
   74   1HB   HYP  12          1HB       HYP  12  -2.398   3.047   6.370
   75   2HB   HYP  12          2HB       HYP  12  -1.185   1.753   6.133
   76   1HD   HYP  12          1HD       HYP  12   1.564   2.599   6.805
   77   2HD   HYP  12          2HD       HYP  12   1.547   4.339   7.211
   78    HOD  HYP  12           HOD      HYP  12  -1.297   2.398   8.781
   79    HG   HYP  12           HG       HYP  12  -0.767   4.362   7.735
   80    H    PHE  13           H        PHE  13  -1.927   3.780   2.840
   81    HA   PHE  13           HA       PHE  13  -3.482   6.324   3.378
   82   1HB   PHE  13          1HB       PHE  13  -1.348   6.081   1.118
   83   2HB   PHE  13          2HB       PHE  13  -2.570   7.264   1.038
   84    HD1  PHE  13           1HD      PHE  13  -2.900   8.794   3.207
   85    HD2  PHE  13           2HD      PHE  13   0.710   6.836   2.012
   86    HE1  PHE  13           1HE      PHE  13  -1.597  10.505   4.415
   87    HE2  PHE  13           2HE      PHE  13   2.043   8.573   3.230
   88    HZ   PHE  13           HZ       PHE  13   0.886  10.382   4.447
   89    HA   HYP  14           HA       HYP  14  -6.261   4.549   0.438
   90   1HB   HYP  14          1HB       HYP  14  -7.665   6.621  -0.380
   91   2HB   HYP  14          2HB       HYP  14  -7.603   5.991   1.279
   92   1HD   HYP  14          1HD       HYP  14  -4.441   7.934   1.949
   93   2HD   HYP  14          2HD       HYP  14  -5.771   7.137   2.859
   94    HOD  HYP  14           HOD      HYP  14  -7.718   8.006   2.425
   95    HG   HYP  14           HG       HYP  14  -5.948   8.394   0.245
   96    H    GLY  15           H        GLY  15  -5.883   3.867  -1.285
   97   1HA   GLY  15          1HA       GLY  15  -5.031   3.287  -3.448
   98   2HA   GLY  15          2HA       GLY  15  -4.519   4.942  -3.618
   99    H    CYS  16           H        CYS  16  -3.198   3.699  -0.856
  100    HA   CYS  16           HA       CYS  16  -0.493   3.294  -2.055
  101   1HB   CYS  16          1HB       CYS  16  -0.421   4.493  -0.119
  102   2HB   CYS  16          2HB       CYS  16  -1.437   3.359   0.839
  103    H    TYR  17           H        TYR  17  -2.583   1.363  -0.049
  104    HA   TYR  17           HA       TYR  17  -1.363  -1.309  -0.550
  105   1HB   TYR  17          1HB       TYR  17  -3.597  -2.276   0.124
  106   2HB   TYR  17          2HB       TYR  17  -2.632  -1.466   1.294
  107    HD1  TYR  17           1HD      TYR  17  -3.484   0.385   2.596
  108    HD2  TYR  17           2HD      TYR  17  -5.706  -0.805  -0.910
  109    HE1  TYR  17           1HE      TYR  17  -5.299   1.873   3.235
  110    HE2  TYR  17           2HE      TYR  17  -7.512   0.703  -0.245
  111    HH   TYR  17           HH       TYR  17  -8.219   2.212   1.215
  112    H    ASN  18           H        ASN  18  -3.426   0.581  -2.598
  113    HA   ASN  18           HA       ASN  18  -3.546  -1.568  -4.714
  114   1HB   ASN  18          1HB       ASN  18  -5.403   0.103  -4.576
  115   2HB   ASN  18          2HB       ASN  18  -4.266   1.328  -4.967
  116   1HD2  ASN  18          1HD2      ASN  18  -3.995   1.491  -7.357
  117   2HD2  ASN  18          2HD2      ASN  18  -4.993   0.407  -8.453
  118    H    ALA  19           H        ALA  19  -1.193   0.749  -3.735
  119    HA   ALA  19           HA       ALA  19   0.018   1.145  -6.474
  120   1HB   ALA  19          1HB       ALA  19   1.615   2.725  -5.233
  121   2HB   ALA  19          2HB       ALA  19   0.937   2.225  -3.682
  122   3HB   ALA  19          HB3       ALA  19  -0.057   3.138  -4.832
  123    H    LEU  20           H        LEU  20   2.054   0.792  -6.965
  124    HA   LEU  20           HA       LEU  20   2.277  -1.929  -6.811
  125   1HB   LEU  20          1HB       LEU  20   2.874  -0.348  -8.797
  126   2HB   LEU  20          2HB       LEU  20   4.493  -0.333  -8.139
  127    HG   LEU  20           HG       LEU  20   4.278  -3.018  -8.209
  128   1HD1  LEU  20          1HD1      LEU  20   1.817  -3.147  -8.704
  129   2HD1  LEU  20          2HD1      LEU  20   2.774  -3.903  -9.988
  130   3HD1  LEU  20          3HD1      LEU  20   2.069  -2.286 -10.241
  131   1HD2  LEU  20          1HD2      LEU  20   4.550  -1.405 -10.795
  132   2HD2  LEU  20          2HD2      LEU  20   5.121  -3.080 -10.509
  133   3HD2  LEU  20          3HD2      LEU  20   5.837  -1.733  -9.597
  134    H    CYS  21           H        CYS  21   4.633   0.310  -5.204
  135    HA   CYS  21           HA       CYS  21   6.602  -1.691  -4.458
  136   1HB   CYS  21          1HB       CYS  21   7.209  -0.025  -2.819
  137   2HB   CYS  21          2HB       CYS  21   7.281   0.553  -4.479
  138    H    CYS  22           H        CYS  22   3.703  -0.402  -2.715
  139    HA   CYS  22           HA       CYS  22   4.036  -2.581  -0.591
  140   1HB   CYS  22          2HB       CYS  22   4.085  -0.191   0.326
  141   2HB   CYS  22          1HB       CYS  22   2.416   0.012  -0.235
  142    H    ARG  23           H        ARG  23   3.387  -3.633  -2.633
  143    HA   ARG  23           HA       ARG  23   0.707  -3.508  -3.548
  144   1HB   ARG  23          1HB       ARG  23   1.220  -5.377  -4.985
  145   2HB   ARG  23          2HB       ARG  23   2.414  -4.129  -5.044
  146   1HG   ARG  23          2HG       ARG  23   3.965  -5.590  -3.588
  147   2HG   ARG  23          1HG       ARG  23   2.732  -6.826  -3.581
  148   1HD   ARG  23          1HD       ARG  23   4.134  -7.590  -5.323
  149   2HD   ARG  23          2HD       ARG  23   2.845  -6.805  -6.229
  150    HE   ARG  23           HE       ARG  23   5.044  -4.895  -5.688
  151   1HH1  ARG  23          1HH1      ARG  23   4.230  -7.650  -7.783
  152   2HH1  ARG  23          2HH1      ARG  23   5.459  -7.086  -9.024
  153   1HH2  ARG  23          1HH2      ARG  23   6.414  -4.349  -7.164
  154   2HH2  ARG  23          2HH2      ARG  23   6.611  -5.343  -8.694
  155    H    LYS  24           H        LYS  24  -0.025  -3.621  -1.327
  156    HA   LYS  24           HA       LYS  24  -0.828  -6.340  -0.219
  157   1HB   LYS  24          1HB       LYS  24  -1.436  -3.485   0.681
  158   2HB   LYS  24          2HB       LYS  24  -2.002  -4.893   1.503
  159   1HG   LYS  24          2HG       LYS  24   0.204  -5.661   2.180
  160   2HG   LYS  24          1HG       LYS  24   1.010  -4.491   1.151
  161   1HD   LYS  24          2HD       LYS  24   1.161  -3.646   3.391
  162   2HD   LYS  24          1HD       LYS  24   0.091  -2.592   2.495
  163   1HE   LYS  24          2HE       LYS  24  -0.843  -2.863   4.706
  164   2HE   LYS  24          1HE       LYS  24  -1.930  -3.691   3.597
  165   1HZ   LYS  24          HZ1       LYS  24  -1.492  -5.014   5.573
  166   2HZ   LYS  24          HZ2       LYS  24   0.137  -5.012   5.300
  167   3HZ   LYS  24          HZ3       LYS  24  -0.874  -5.807   4.262
  168   1HN   NH2  25          1HN       NH2  25  -2.110  -6.526  -2.641
  169   2HN   NH2  25          2HN       NH2  25  -3.870  -5.952  -2.430
  Start of MODEL    7
    1   1H    GLY   1          1H        GLY   1   0.136  12.549  -5.580
    2   2H    GLY   1          2H        GLY   1  -1.339  13.293  -5.572
    3   3H    GLY   1          3H        GLY   1   0.018  14.146  -5.172
    4   1HA   GLY   1          2HA       GLY   1  -1.313  13.558  -3.159
    5   2HA   GLY   1          1HA       GLY   1  -1.109  11.882  -3.581
    6    HA   HYP   2           HA       HYP   2   2.391  12.395  -0.933
    7   1HB   HYP   2          1HB       HYP   2   1.514  10.920   1.315
    8   2HB   HYP   2          2HB       HYP   2   1.526  12.680   1.187
    9   1HD   HYP   2          1HD       HYP   2  -1.616  11.842  -1.323
   10   2HD   HYP   2          2HD       HYP   2  -1.090  13.402  -0.767
   11    HOD  HYP   2           HOD      HYP   2  -0.705  12.309   2.462
   12    HG   HYP   2           HG       HYP   2  -0.908  10.837   0.753
   13    HA   HYP   3           HA       HYP   3   3.671   8.230  -2.345
   14   1HB   HYP   3          1HB       HYP   3   5.768   8.343  -0.158
   15   2HB   HYP   3          2HB       HYP   3   6.004   8.099  -1.865
   16   1HD   HYP   3          1HD       HYP   3   4.319  11.823  -1.258
   17   2HD   HYP   3          2HD       HYP   3   4.571  11.016   0.296
   18    HOD  HYP   3           HOD      HYP   3   5.107  10.203  -3.140
   19    HG   HYP   3           HG       HYP   3   6.640  10.476  -0.758
   20    H    CYS   4           H        CYS   4   2.938   6.535  -2.032
   21    HA   CYS   4           HA       CYS   4   1.812   5.060   0.162
   22   1HB   CYS   4          1HB       CYS   4   1.275   4.890  -2.201
   23   2HB   CYS   4          2HB       CYS   4   2.836   4.434  -2.612
   24    H    CYS   5           H        CYS   5   4.963   5.082  -1.240
   25    HA   CYS   5           HA       CYS   5   6.084   3.515   1.020
   26   1HB   CYS   5          1HB       CYS   5   7.229   3.276  -1.703
   27   2HB   CYS   5          2HB       CYS   5   7.679   2.431  -0.238
   28    H    LEU   6           H        LEU   6   7.351   4.892   1.761
   29    HA   LEU   6           HA       LEU   6   8.791   7.118   0.361
   30   1HB   LEU   6          1HB       LEU   6   6.871   7.887   1.867
   31   2HB   LEU   6          2HB       LEU   6   7.909   7.403   3.142
   32    HG   LEU   6           HG       LEU   6   8.159   9.755   1.447
   33   1HD1  LEU   6          1HD1      LEU   6   8.484   9.373   4.460
   34   2HD1  LEU   6          2HD1      LEU   6   8.456  10.935   3.599
   35   3HD1  LEU   6          3HD1      LEU   6   6.994   9.911   3.636
   36   1HD2  LEU   6          1HD2      LEU   6  10.506   8.618   3.024
   37   2HD2  LEU   6          2HD2      LEU   6  10.459   8.833   1.255
   38   3HD2  LEU   6          3HD2      LEU   6  10.475  10.258   2.325
   39    H    TYR   7           H        TYR   7  10.943   6.922   0.868
   40    HA   TYR   7           HA       TYR   7  12.801   5.664   0.927
   41   1HB   TYR   7          1HB       TYR   7  11.889   5.216   3.702
   42   2HB   TYR   7          2HB       TYR   7  13.466   5.061   3.054
   43    HD1  TYR   7           1HD      TYR   7  13.824   7.687   1.471
   44    HD2  TYR   7           2HD      TYR   7  11.894   7.025   5.269
   45    HE1  TYR   7           1HE      TYR   7  14.334   9.985   2.148
   46    HE2  TYR   7           2HE      TYR   7  12.425   9.328   5.923
   47    HH   TYR   7           HH       TYR   7  14.151  11.526   3.721
   48    H    GLY   8           H        GLY   8  10.985   4.035  -0.193
   49   1HA   GLY   8          1HA       GLY   8  10.924   1.783  -1.044
   50   2HA   GLY   8          2HA       GLY   8  12.105   1.243   0.166
   51    H    SER   9           H        SER   9   9.712   2.779   1.895
   52    HA   SER   9           HA       SER   9   9.399   0.212   3.162
   53   1HB   SER   9          1HB       SER   9   8.598   1.783   4.953
   54   2HB   SER   9          2HB       SER   9   9.941   2.458   4.290
   55    HG   SER   9           HG       SER   9   8.402   3.719   2.977
   56    H    CYS  10           H        CYS  10   7.038   0.197   4.470
   57    HA   CYS  10           HA       CYS  10   4.780   0.738   2.493
   58   1HB   CYS  10          2HB       CYS  10   4.750  -1.716   3.499
   59   2HB   CYS  10          1HB       CYS  10   4.147  -0.877   4.955
   60    H    ARG  11           H        ARG  11   3.557   2.293   3.066
   61    HA   ARG  11           HA       ARG  11   3.824   3.857   5.671
   62   1HB   ARG  11          1HB       ARG  11   5.626   4.324   4.031
   63   2HB   ARG  11          2HB       ARG  11   4.393   4.873   2.900
   64   1HG   ARG  11          2HG       ARG  11   5.197   6.829   3.692
   65   2HG   ARG  11          1HG       ARG  11   3.713   6.636   4.602
   66   1HD   ARG  11          1HD       ARG  11   5.596   7.529   6.032
   67   2HD   ARG  11          2HD       ARG  11   5.013   6.001   6.673
   68    HE   ARG  11           HE       ARG  11   7.017   4.891   5.369
   69   1HH1  ARG  11          1HH1      ARG  11   7.212   8.117   6.866
   70   2HH1  ARG  11          2HH1      ARG  11   9.014   7.899   7.138
   71   1HH2  ARG  11          2HH2      ARG  11   9.083   4.771   5.711
   72   2HH2  ARG  11          1HH2      ARG  11   9.997   6.135   6.529
   73    HA   HYP  12           HA       HYP  12  -0.314   2.935   4.098
   74   1HB   HYP  12          1HB       HYP  12  -1.943   3.272   6.339
   75   2HB   HYP  12          2HB       HYP  12  -0.789   1.930   6.081
   76   1HD   HYP  12          1HD       HYP  12   1.993   2.640   6.685
   77   2HD   HYP  12          2HD       HYP  12   2.085   4.369   7.125
   78    HOD  HYP  12           HOD      HYP  12   0.340   1.745   8.026
   79    HG   HYP  12           HG       HYP  12  -0.232   4.512   7.682
   80    H    PHE  13           H        PHE  13  -1.557   3.929   2.828
   81    HA   PHE  13           HA       PHE  13  -2.936   6.586   3.341
   82   1HB   PHE  13          1HB       PHE  13  -0.914   6.120   1.015
   83   2HB   PHE  13          2HB       PHE  13  -2.059   7.378   0.933
   84    HD1  PHE  13           1HD      PHE  13  -2.205   9.038   2.990
   85    HD2  PHE  13           2HD      PHE  13   1.192   6.666   1.955
   86    HE1  PHE  13           1HE      PHE  13  -0.760  10.625   4.204
   87    HE2  PHE  13           2HE      PHE  13   2.677   8.254   3.203
   88    HZ   PHE  13           HZ       PHE  13   1.693  10.222   4.332
   89    HA   HYP  14           HA       HYP  14  -6.006   4.908   0.696
   90   1HB   HYP  14          1HB       HYP  14  -7.302   7.035  -0.173
   91   2HB   HYP  14          2HB       HYP  14  -7.181   6.496   1.514
   92   1HD   HYP  14          1HD       HYP  14  -3.840   8.213   1.875
   93   2HD   HYP  14          2HD       HYP  14  -5.159   7.553   2.900
   94    HOD  HYP  14           HOD      HYP  14  -6.144   9.796   2.082
   95    HG   HYP  14           HG       HYP  14  -5.414   8.696   0.239
   96    H    GLY  15           H        GLY  15  -5.814   4.079  -0.981
   97   1HA   GLY  15          1HA       GLY  15  -5.218   3.272  -3.169
   98   2HA   GLY  15          2HA       GLY  15  -4.643   4.877  -3.516
   99    H    CYS  16           H        CYS  16  -3.175   3.646  -0.790
  100    HA   CYS  16           HA       CYS  16  -0.570   3.196  -2.156
  101   1HB   CYS  16          1HB       CYS  16  -0.382   4.371  -0.212
  102   2HB   CYS  16          2HB       CYS  16  -1.333   3.219   0.795
  103    H    TYR  17           H        TYR  17  -2.573   1.263  -0.095
  104    HA   TYR  17           HA       TYR  17  -1.457  -1.442  -0.611
  105   1HB   TYR  17          1HB       TYR  17  -3.818  -2.273  -0.033
  106   2HB   TYR  17          2HB       TYR  17  -2.770  -1.657   1.176
  107    HD1  TYR  17           1HD      TYR  17  -3.410   0.144   2.630
  108    HD2  TYR  17           2HD      TYR  17  -5.721  -0.438  -0.970
  109    HE1  TYR  17           1HE      TYR  17  -4.969   1.866   3.348
  110    HE2  TYR  17           2HE      TYR  17  -7.271   1.300  -0.223
  111    HH   TYR  17           HH       TYR  17  -6.785   3.041   2.842
  112    H    ASN  18           H        ASN  18  -3.497   0.501  -2.660
  113    HA   ASN  18           HA       ASN  18  -3.660  -1.636  -4.783
  114   1HB   ASN  18          1HB       ASN  18  -5.496   0.041  -4.619
  115   2HB   ASN  18          2HB       ASN  18  -4.362   1.268  -5.010
  116   1HD2  ASN  18          1HD2      ASN  18  -4.079   1.429  -7.401
  117   2HD2  ASN  18          2HD2      ASN  18  -5.110   0.376  -8.498
  118    H    ALA  19           H        ALA  19  -1.277   0.665  -3.841
  119    HA   ALA  19           HA       ALA  19  -0.061   0.985  -6.600
  120   1HB   ALA  19          1HB       ALA  19  -0.236   3.056  -5.072
  121   2HB   ALA  19          2HB       ALA  19   0.777   2.241  -3.864
  122   3HB   ALA  19          HB3       ALA  19   1.457   2.679  -5.435
  123    H    LEU  20           H        LEU  20   2.080   0.723  -6.951
  124    HA   LEU  20           HA       LEU  20   2.245  -2.009  -6.760
  125   1HB   LEU  20          1HB       LEU  20   2.884  -0.462  -8.764
  126   2HB   LEU  20          2HB       LEU  20   4.500  -0.486  -8.100
  127    HG   LEU  20           HG       LEU  20   4.215  -3.160  -8.129
  128   1HD1  LEU  20          1HD1      LEU  20   2.010  -2.406 -10.161
  129   2HD1  LEU  20          2HD1      LEU  20   2.677  -4.035  -9.891
  130   3HD1  LEU  20          3HD1      LEU  20   1.748  -3.239  -8.610
  131   1HD2  LEU  20          1HD2      LEU  20   4.506  -1.606 -10.753
  132   2HD2  LEU  20          2HD2      LEU  20   5.036  -3.288 -10.438
  133   3HD2  LEU  20          3HD2      LEU  20   5.797  -1.942  -9.560
  134    H    CYS  21           H        CYS  21   4.714   0.212  -5.240
  135    HA   CYS  21           HA       CYS  21   6.611  -1.813  -4.446
  136   1HB   CYS  21          1HB       CYS  21   7.212  -0.159  -2.777
  137   2HB   CYS  21          2HB       CYS  21   7.352   0.415  -4.427
  138    H    CYS  22           H        CYS  22   3.743  -0.485  -2.699
  139    HA   CYS  22           HA       CYS  22   3.994  -2.733  -0.634
  140   1HB   CYS  22          1HB       CYS  22   4.059  -0.395   0.378
  141   2HB   CYS  22          2HB       CYS  22   2.412  -0.126  -0.220
  142    H    ARG  23           H        ARG  23   3.363  -3.743  -2.703
  143    HA   ARG  23           HA       ARG  23   0.686  -3.605  -3.638
  144   1HB   ARG  23          1HB       ARG  23   1.174  -5.581  -4.979
  145   2HB   ARG  23          2HB       ARG  23   2.316  -4.296  -5.143
  146   1HG   ARG  23          2HG       ARG  23   3.970  -5.597  -3.673
  147   2HG   ARG  23          1HG       ARG  23   2.785  -6.874  -3.512
  148   1HD   ARG  23          1HD       ARG  23   4.228  -7.675  -5.266
  149   2HD   ARG  23          2HD       ARG  23   2.798  -7.139  -6.107
  150    HE   ARG  23           HE       ARG  23   3.998  -5.299  -7.099
  151   1HH1  ARG  23          2HH2      ARG  23   6.090  -6.931  -4.728
  152   2HH1  ARG  23          1HH2      ARG  23   7.561  -6.075  -5.414
  153   1HH2  ARG  23          1HH1      ARG  23   5.753  -4.399  -7.814
  154   2HH2  ARG  23          2HH1      ARG  23   7.381  -4.742  -7.039
  155    H    LYS  24           H        LYS  24   0.030  -3.696  -1.315
  156    HA   LYS  24           HA       LYS  24  -0.784  -6.386  -0.233
  157   1HB   LYS  24          2HB       LYS  24   0.065  -4.349   1.114
  158   2HB   LYS  24          1HB       LYS  24  -1.480  -3.593   0.776
  159   1HG   LYS  24          2HG       LYS  24  -1.609  -4.538   3.014
  160   2HG   LYS  24          1HG       LYS  24  -2.616  -5.587   2.036
  161   1HD   LYS  24          2HD       LYS  24  -0.685  -7.262   1.887
  162   2HD   LYS  24          1HD       LYS  24   0.312  -6.161   2.822
  163   1HE   LYS  24          1HE       LYS  24  -0.463  -7.829   4.361
  164   2HE   LYS  24          2HE       LYS  24  -1.322  -6.349   4.780
  165   1HZ   LYS  24          HZ1       LYS  24  -2.800  -8.265   4.739
  166   2HZ   LYS  24          HZ2       LYS  24  -2.437  -8.600   3.163
  167   3HZ   LYS  24          HZ3       LYS  24  -3.260  -7.220   3.545
  168   1HN   NH2  25          1HN       NH2  25  -2.207  -6.520  -2.578
  169   2HN   NH2  25          2HN       NH2  25  -3.969  -6.025  -2.233
  Start of MODEL    8
    1   1H    GLY   1          1H        GLY   1  -0.533  14.025  -3.438
    2   2H    GLY   1          2H        GLY   1  -1.904  13.878  -2.527
    3   3H    GLY   1          3H        GLY   1  -1.083  12.528  -3.008
    4   1HA   GLY   1          2HA       GLY   1  -0.095  14.573  -1.052
    5   2HA   GLY   1          1HA       GLY   1  -0.638  12.981  -0.644
    6    HA   HYP   2           HA       HYP   2   3.784  12.557  -0.893
    7   1HB   HYP   2          1HB       HYP   2   3.488  11.107   1.707
    8   2HB   HYP   2          2HB       HYP   2   4.669  12.381   1.326
    9   1HD   HYP   2          1HD       HYP   2   1.021  14.229   0.876
   10   2HD   HYP   2          2HD       HYP   2   0.578  12.602   1.339
   11    HOD  HYP   2           HOD      HYP   2   3.522  14.550   0.709
   12    HG   HYP   2           HG       HYP   2   2.540  13.108   2.934
   13    HA   HYP   3           HA       HYP   3   3.930   8.198  -2.467
   14   1HB   HYP   3          1HB       HYP   3   6.438   7.887  -0.825
   15   2HB   HYP   3          2HB       HYP   3   6.225   7.575  -2.511
   16   1HD   HYP   3          1HD       HYP   3   5.397  11.544  -1.849
   17   2HD   HYP   3          2HD       HYP   3   5.995  10.810  -0.352
   18    HOD  HYP   3           HOD      HYP   3   5.400   9.753  -3.700
   19    HG   HYP   3           HG       HYP   3   7.534   9.785  -1.817
   20    H    CYS   4           H        CYS   4   3.024   6.617  -2.007
   21    HA   CYS   4           HA       CYS   4   1.920   5.250   0.191
   22   1HB   CYS   4          1HB       CYS   4   1.400   4.985  -2.140
   23   2HB   CYS   4          2HB       CYS   4   2.945   4.491  -2.545
   24    H    CYS   5           H        CYS   5   5.081   4.965  -1.109
   25    HA   CYS   5           HA       CYS   5   6.013   3.234   1.123
   26   1HB   CYS   5          1HB       CYS   5   7.241   3.096  -1.580
   27   2HB   CYS   5          2HB       CYS   5   7.572   2.102  -0.174
   28    H    LEU   6           H        LEU   6   7.459   4.410   1.955
   29    HA   LEU   6           HA       LEU   6   8.547   7.022   1.025
   30   1HB   LEU   6          1HB       LEU   6   6.917   6.933   3.181
   31   2HB   LEU   6          2HB       LEU   6   8.486   6.688   3.842
   32    HG   LEU   6           HG       LEU   6   8.083   8.962   3.917
   33   1HD1  LEU   6          1HD2      LEU   6   9.663   8.942   1.302
   34   2HD1  LEU   6          2HD2      LEU   6  10.352   8.635   2.917
   35   3HD1  LEU   6          3HD2      LEU   6   9.641  10.227   2.535
   36   1HD2  LEU   6          1HD1      LEU   6   7.072   9.082   1.036
   37   2HD2  LEU   6          2HD1      LEU   6   6.051   9.100   2.497
   38   3HD2  LEU   6          3HD1      LEU   6   7.151  10.455   2.170
   39    H    TYR   7           H        TYR   7  10.757   6.937   1.206
   40    HA   TYR   7           HA       TYR   7  12.729   5.851   0.731
   41   1HB   TYR   7          1HB       TYR   7  12.253   5.015   3.539
   42   2HB   TYR   7          2HB       TYR   7  13.741   5.081   2.680
   43    HD1  TYR   7           1HD      TYR   7  11.806   6.879   5.019
   44    HD2  TYR   7           2HD      TYR   7  14.289   7.610   1.573
   45    HE1  TYR   7           1HE      TYR   7  12.167   9.192   5.755
   46    HE2  TYR   7           2HE      TYR   7  14.628   9.922   2.326
   47    HH   TYR   7           HH       TYR   7  14.169  11.446   3.862
   48    H    GLY   8           H        GLY   8  10.959   4.253  -0.374
   49   1HA   GLY   8          1HA       GLY   8  10.798   2.096  -1.391
   50   2HA   GLY   8          2HA       GLY   8  12.074   1.431  -0.365
   51    H    SER   9           H        SER   9  10.129   2.627   1.855
   52    HA   SER   9           HA       SER   9   9.627  -0.240   2.447
   53   1HB   SER   9          2HB       SER   9  10.919   1.330   3.937
   54   2HB   SER   9          1HB       SER   9   9.503   2.007   4.585
   55    HG   SER   9           HG       SER   9   8.797  -0.132   5.106
   56    H    CYS  10           H        CYS  10   7.356   1.109   4.531
   57    HA   CYS  10           HA       CYS  10   5.139   1.348   2.525
   58   1HB   CYS  10          2HB       CYS  10   5.222  -1.182   3.168
   59   2HB   CYS  10          1HB       CYS  10   4.662  -0.658   4.776
   60    H    ARG  11           H        ARG  11   3.521   2.470   3.177
   61    HA   ARG  11           HA       ARG  11   3.185   3.738   5.887
   62   1HB   ARG  11          1HB       ARG  11   5.029   4.852   4.803
   63   2HB   ARG  11          2HB       ARG  11   4.065   5.154   3.360
   64   1HG   ARG  11          1HG       ARG  11   2.568   6.654   4.472
   65   2HG   ARG  11          2HG       ARG  11   3.198   6.256   6.069
   66   1HD   ARG  11          2HD       ARG  11   4.841   7.718   3.873
   67   2HD   ARG  11          1HD       ARG  11   3.918   8.544   5.125
   68    HE   ARG  11           HE       ARG  11   5.812   6.494   6.203
   69   1HH1  ARG  11          2HH1      ARG  11   5.461   9.927   5.330
   70   2HH1  ARG  11          1HH1      ARG  11   6.898  10.368   6.382
   71   1HH2  ARG  11          2HH2      ARG  11   7.465   7.116   7.361
   72   2HH2  ARG  11          1HH2      ARG  11   7.955   8.881   7.453
   73    HA   HYP  12           HA       HYP  12  -0.759   2.842   3.649
   74   1HB   HYP  12          1HB       HYP  12  -2.568   2.763   5.732
   75   2HB   HYP  12          2HB       HYP  12  -1.338   1.509   5.403
   76   1HD   HYP  12          1HD       HYP  12   1.345   2.220   6.509
   77   2HD   HYP  12          2HD       HYP  12   1.253   3.897   7.119
   78    HOD  HYP  12           HOD      HYP  12  -0.242   2.095   8.634
   79    HG   HYP  12           HG       HYP  12  -1.084   3.831   7.430
   80    H    PHE  13           H        PHE  13  -0.815   4.602   2.427
   81    HA   PHE  13           HA       PHE  13  -2.804   6.861   3.114
   82   1HB   PHE  13          1HB       PHE  13  -1.021   6.325   0.612
   83   2HB   PHE  13          2HB       PHE  13  -2.224   7.523   0.596
   84    HD1  PHE  13           1HD      PHE  13   1.121   6.787   1.710
   85    HD2  PHE  13           2HD      PHE  13  -2.156   9.503   2.122
   86    HE1  PHE  13           1HE      PHE  13   2.662   8.500   2.675
   87    HE2  PHE  13           2HE      PHE  13  -0.655  11.194   3.106
   88    HZ   PHE  13           HZ       PHE  13   1.761  10.686   3.407
   89    HA   HYP  14           HA       HYP  14  -5.977   4.825   0.783
   90   1HB   HYP  14          1HB       HYP  14  -7.456   6.824  -0.083
   91   2HB   HYP  14          2HB       HYP  14  -7.185   6.380   1.616
   92   1HD   HYP  14          1HD       HYP  14  -3.951   8.319   1.673
   93   2HD   HYP  14          2HD       HYP  14  -5.164   7.647   2.815
   94    HOD  HYP  14           HOD      HYP  14  -7.619   9.203   1.171
   95    HG   HYP  14           HG       HYP  14  -5.655   8.619   0.119
   96    H    GLY  15           H        GLY  15  -5.817   3.943  -0.891
   97   1HA   GLY  15          1HA       GLY  15  -5.206   3.091  -3.054
   98   2HA   GLY  15          2HA       GLY  15  -4.750   4.715  -3.478
   99    H    CYS  16           H        CYS  16  -3.127   3.718  -0.755
  100    HA   CYS  16           HA       CYS  16  -0.525   3.266  -2.133
  101   1HB   CYS  16          1HB       CYS  16  -0.318   4.462  -0.204
  102   2HB   CYS  16          2HB       CYS  16  -1.276   3.331   0.820
  103    H    TYR  17           H        TYR  17  -2.527   1.361  -0.039
  104    HA   TYR  17           HA       TYR  17  -1.425  -1.346  -0.458
  105   1HB   TYR  17          1HB       TYR  17  -3.682  -2.212   0.152
  106   2HB   TYR  17          2HB       TYR  17  -2.838  -1.270   1.323
  107    HD1  TYR  17           1HD      TYR  17  -5.768  -1.073  -1.097
  108    HD2  TYR  17           2HD      TYR  17  -3.734   0.883   2.167
  109    HE1  TYR  17           1HE      TYR  17  -7.649   0.467  -0.819
  110    HE2  TYR  17           2HE      TYR  17  -5.618   2.406   2.420
  111    HH   TYR  17           HH       TYR  17  -7.600   3.036   1.648
  112    H    ASN  18           H        ASN  18  -3.462   0.520  -2.625
  113    HA   ASN  18           HA       ASN  18  -3.539  -1.679  -4.688
  114   1HB   ASN  18          1HB       ASN  18  -5.430  -0.036  -4.578
  115   2HB   ASN  18          2HB       ASN  18  -4.318   1.194  -5.028
  116   1HD2  ASN  18          1HD2      ASN  18  -4.055   1.258  -7.424
  117   2HD2  ASN  18          2HD2      ASN  18  -5.055   0.126  -8.468
  118    H    ALA  19           H        ALA  19  -1.241   0.714  -3.785
  119    HA   ALA  19           HA       ALA  19  -0.034   1.060  -6.531
  120   1HB   ALA  19          1HB       ALA  19  -0.161   3.081  -4.914
  121   2HB   ALA  19          2HB       ALA  19   0.882   2.214  -3.772
  122   3HB   ALA  19          HB3       ALA  19   1.518   2.706  -5.343
  123    H    LEU  20           H        LEU  20   2.021   0.699  -6.997
  124    HA   LEU  20           HA       LEU  20   2.173  -2.021  -6.811
  125   1HB   LEU  20          1HB       LEU  20   2.809  -0.483  -8.813
  126   2HB   LEU  20          2HB       LEU  20   4.429  -0.500  -8.157
  127    HG   LEU  20           HG       LEU  20   4.163  -3.173  -8.199
  128   1HD1  LEU  20          1HD1      LEU  20   2.622  -4.057  -9.950
  129   2HD1  LEU  20          2HD1      LEU  20   1.938  -2.433 -10.211
  130   3HD1  LEU  20          3HD1      LEU  20   1.695  -3.273  -8.661
  131   1HD2  LEU  20          1HD2      LEU  20   5.723  -1.933  -9.628
  132   2HD2  LEU  20          2HD2      LEU  20   4.972  -3.281 -10.510
  133   3HD2  LEU  20          3HD2      LEU  20   4.424  -1.602 -10.812
  134    H    CYS  21           H        CYS  21   4.629   0.154  -5.253
  135    HA   CYS  21           HA       CYS  21   6.515  -1.912  -4.484
  136   1HB   CYS  21          1HB       CYS  21   7.183  -0.251  -2.858
  137   2HB   CYS  21          2HB       CYS  21   7.290   0.295  -4.529
  138    H    CYS  22           H        CYS  22   3.672  -0.507  -2.740
  139    HA   CYS  22           HA       CYS  22   3.964  -2.670  -0.588
  140   1HB   CYS  22          2HB       CYS  22   4.111  -0.236   0.264
  141   2HB   CYS  22          1HB       CYS  22   2.416  -0.037  -0.209
  142    H    ARG  23           H        ARG  23   3.221  -3.709  -2.622
  143    HA   ARG  23           HA       ARG  23   0.515  -3.475  -3.447
  144   1HB   ARG  23          1HB       ARG  23   0.910  -5.334  -4.918
  145   2HB   ARG  23          2HB       ARG  23   2.183  -4.165  -4.979
  146   1HG   ARG  23          1HG       ARG  23   3.647  -5.747  -3.548
  147   2HG   ARG  23          2HG       ARG  23   2.337  -6.901  -3.563
  148   1HD   ARG  23          1HD       ARG  23   3.670  -7.722  -5.327
  149   2HD   ARG  23          2HD       ARG  23   2.447  -6.820  -6.216
  150    HE   ARG  23           HE       ARG  23   4.761  -5.079  -5.630
  151   1HH1  ARG  23          2HH2      ARG  23   3.809  -7.759  -7.764
  152   2HH1  ARG  23          1HH2      ARG  23   5.094  -7.267  -8.978
  153   1HH2  ARG  23          2HH1      ARG  23   6.194  -4.615  -7.077
  154   2HH2  ARG  23          1HH1      ARG  23   6.352  -5.606  -8.613
  155    H    LYS  24           H        LYS  24  -0.036  -3.608  -1.090
  156    HA   LYS  24           HA       LYS  24  -0.900  -6.282  -0.038
  157   1HB   LYS  24          2HB       LYS  24  -0.036  -4.250   1.318
  158   2HB   LYS  24          1HB       LYS  24  -1.587  -3.495   1.002
  159   1HG   LYS  24          2HG       LYS  24  -1.686  -4.456   3.232
  160   2HG   LYS  24          1HG       LYS  24  -2.701  -5.506   2.261
  161   1HD   LYS  24          2HD       LYS  24  -0.798  -7.169   2.073
  162   2HD   LYS  24          1HD       LYS  24   0.241  -6.085   3.005
  163   1HE   LYS  24          2HE       LYS  24  -1.349  -6.265   4.983
  164   2HE   LYS  24          1HE       LYS  24  -2.392  -7.345   4.046
  165   1HZ   LYS  24          HZ1       LYS  24   0.447  -7.903   4.760
  166   2HZ   LYS  24          HZ2       LYS  24  -0.883  -8.585   5.465
  167   3HZ   LYS  24          HZ3       LYS  24  -0.526  -8.911   3.885
  168   1HN   NH2  25          1HN       NH2  25  -2.337  -6.361  -2.388
  169   2HN   NH2  25          2HN       NH2  25  -4.100  -5.883  -2.017
  Start of MODEL    9
    1   1H    GLY   1          1H        GLY   1  -1.177  13.672  -3.472
    2   2H    GLY   1          2H        GLY   1  -2.579  13.806  -2.609
    3   3H    GLY   1          3H        GLY   1  -1.977  12.313  -2.980
    4   1HA   GLY   1          1HA       GLY   1  -0.688  14.291  -1.146
    5   2HA   GLY   1          2HA       GLY   1  -1.567  12.881  -0.614
    6    HA   HYP   2           HA       HYP   2   3.087  12.543  -0.848
    7   1HB   HYP   2          1HB       HYP   2   2.896  11.040   1.723
    8   2HB   HYP   2          2HB       HYP   2   3.922  12.447   1.368
    9   1HD   HYP   2          1HD       HYP   2   0.093  13.869   0.920
   10   2HD   HYP   2          2HD       HYP   2  -0.172  12.198   1.350
   11    HOD  HYP   2           HOD      HYP   2   3.206  14.390   2.217
   12    HG   HYP   2           HG       HYP   2   1.713  12.894   2.966
   13    HA   HYP   3           HA       HYP   3   3.750   8.242  -2.446
   14   1HB   HYP   3          1HB       HYP   3   6.168   8.226  -0.626
   15   2HB   HYP   3          2HB       HYP   3   6.137   7.794  -2.288
   16   1HD   HYP   3          1HD       HYP   3   4.810  11.693  -1.792
   17   2HD   HYP   3          2HD       HYP   3   5.459  11.039  -0.276
   18    HOD  HYP   3           HOD      HYP   3   6.545   9.477  -3.826
   19    HG   HYP   3           HG       HYP   3   7.124  10.181  -1.739
   20    H    CYS   4           H        CYS   4   2.932   6.613  -2.037
   21    HA   CYS   4           HA       CYS   4   1.852   5.164   0.142
   22   1HB   CYS   4          1HB       CYS   4   1.304   4.945  -2.192
   23   2HB   CYS   4          2HB       CYS   4   2.853   4.509  -2.635
   24    H    CYS   5           H        CYS   5   4.986   5.012  -1.261
   25    HA   CYS   5           HA       CYS   5   6.020   3.188   0.859
   26   1HB   CYS   5          1HB       CYS   5   7.192   3.222  -1.845
   27   2HB   CYS   5          2HB       CYS   5   7.529   2.166  -0.484
   28    H    LEU   6           H        LEU   6   7.241   4.439   1.792
   29    HA   LEU   6           HA       LEU   6   8.403   7.100   0.947
   30   1HB   LEU   6          2HB       LEU   6   6.505   7.194   2.532
   31   2HB   LEU   6          1HB       LEU   6   7.646   6.598   3.710
   32    HG   LEU   6           HG       LEU   6   7.789   8.842   4.001
   33   1HD1  LEU   6          1HD2      LEU   6   9.670  10.064   2.981
   34   2HD1  LEU   6          2HD2      LEU   6  10.114   8.360   3.257
   35   3HD1  LEU   6          3HD2      LEU   6   9.702   8.919   1.616
   36   1HD2  LEU   6          1HD1      LEU   6   6.007   9.484   2.452
   37   2HD2  LEU   6          2HD1      LEU   6   7.185   9.550   1.107
   38   3HD2  LEU   6          3HD1      LEU   6   7.306  10.694   2.475
   39    H    TYR   7           H        TYR   7  10.594   6.963   1.169
   40    HA   TYR   7           HA       TYR   7  12.550   5.847   0.840
   41   1HB   TYR   7          1HB       TYR   7  11.997   5.085   3.647
   42   2HB   TYR   7          2HB       TYR   7  13.504   5.100   2.812
   43    HD1  TYR   7           1HD      TYR   7  11.837   6.861   5.254
   44    HD2  TYR   7           2HD      TYR   7  13.856   7.722   1.543
   45    HE1  TYR   7           1HE      TYR   7  12.230   9.169   5.988
   46    HE2  TYR   7           2HE      TYR   7  14.229  10.026   2.299
   47    HH   TYR   7           HH       TYR   7  13.925  11.509   3.911
   48    H    GLY   8           H        GLY   8  10.863   4.269  -0.366
   49   1HA   GLY   8          1HA       GLY   8  10.790   2.094  -1.365
   50   2HA   GLY   8          2HA       GLY   8  11.959   1.452  -0.213
   51    H    SER   9           H        SER   9   9.896   2.661   1.827
   52    HA   SER   9           HA       SER   9   9.351  -0.205   2.410
   53   1HB   SER   9          2HB       SER   9  10.640   1.416   3.911
   54   2HB   SER   9          1HB       SER   9   9.155   2.024   4.541
   55    HG   SER   9           HG       SER   9   9.942   0.303   5.729
   56    H    CYS  10           H        CYS  10   7.224   0.579   4.560
   57    HA   CYS  10           HA       CYS  10   4.758   0.741   2.735
   58   1HB   CYS  10          2HB       CYS  10   5.226  -1.219   5.054
   59   2HB   CYS  10          1HB       CYS  10   3.604  -0.704   4.586
   60    H    ARG  11           H        ARG  11   3.720   2.504   3.160
   61    HA   ARG  11           HA       ARG  11   3.680   3.798   5.903
   62   1HB   ARG  11          1HB       ARG  11   5.514   4.614   4.426
   63   2HB   ARG  11          2HB       ARG  11   4.278   5.147   3.282
   64   1HG   ARG  11          1HG       ARG  11   4.682   7.111   4.370
   65   2HG   ARG  11          2HG       ARG  11   3.289   6.541   5.260
   66   1HD   ARG  11          1HD       ARG  11   4.947   7.442   6.852
   67   2HD   ARG  11          2HD       ARG  11   4.828   5.706   7.131
   68    HE   ARG  11           HE       ARG  11   6.969   5.502   5.613
   69   1HH1  ARG  11          2HH2      ARG  11   6.402   8.294   7.746
   70   2HH1  ARG  11          1HH2      ARG  11   8.210   8.574   7.880
   71   1HH2  ARG  11          2HH1      ARG  11   9.002   5.923   5.834
   72   2HH2  ARG  11          1HH1      ARG  11   9.580   7.322   6.871
   73    HA   HYP  12           HA       HYP  12  -0.472   2.985   4.298
   74   1HB   HYP  12          1HB       HYP  12  -2.105   3.579   6.460
   75   2HB   HYP  12          2HB       HYP  12  -0.989   2.181   6.367
   76   1HD   HYP  12          1HD       HYP  12   1.788   2.825   6.990
   77   2HD   HYP  12          2HD       HYP  12   1.947   4.588   7.241
   78    HOD  HYP  12           HOD      HYP  12   0.061   2.150   8.361
   79    HG   HYP  12           HG       HYP  12  -0.370   4.889   7.716
   80    H    PHE  13           H        PHE  13  -1.443   4.027   2.829
   81    HA   PHE  13           HA       PHE  13  -2.783   6.737   3.208
   82   1HB   PHE  13          1HB       PHE  13  -0.801   6.085   0.895
   83   2HB   PHE  13          2HB       PHE  13  -1.915   7.363   0.759
   84    HD1  PHE  13           1HD      PHE  13  -1.934   9.255   2.489
   85    HD2  PHE  13           2HD      PHE  13   1.293   6.501   1.983
   86    HE1  PHE  13           1HE      PHE  13  -0.429  10.842   3.629
   87    HE2  PHE  13           2HE      PHE  13   2.837   8.096   3.136
   88    HZ   PHE  13           HZ       PHE  13   1.964  10.254   3.980
   89    HA   HYP  14           HA       HYP  14  -5.907   4.954   0.700
   90   1HB   HYP  14          1HB       HYP  14  -7.198   7.050  -0.250
   91   2HB   HYP  14          2HB       HYP  14  -7.052   6.597   1.459
   92   1HD   HYP  14          1HD       HYP  14  -3.679   8.286   1.668
   93   2HD   HYP  14          2HD       HYP  14  -4.988   7.701   2.750
   94    HOD  HYP  14           HOD      HYP  14  -6.878   8.719   2.382
   95    HG   HYP  14           HG       HYP  14  -5.283   8.709   0.039
   96    H    GLY  15           H        GLY  15  -5.748   4.038  -0.933
   97   1HA   GLY  15          1HA       GLY  15  -5.183   3.100  -3.079
   98   2HA   GLY  15          2HA       GLY  15  -4.669   4.696  -3.536
   99    H    CYS  16           H        CYS  16  -3.115   3.562  -0.782
  100    HA   CYS  16           HA       CYS  16  -0.511   3.183  -2.171
  101   1HB   CYS  16          1HB       CYS  16  -0.331   4.345  -0.223
  102   2HB   CYS  16          2HB       CYS  16  -1.257   3.170   0.784
  103    H    TYR  17           H        TYR  17  -2.393   1.197  -0.051
  104    HA   TYR  17           HA       TYR  17  -1.394  -1.507  -0.660
  105   1HB   TYR  17          1HB       TYR  17  -3.778  -2.279  -0.106
  106   2HB   TYR  17          2HB       TYR  17  -2.715  -1.715   1.116
  107    HD1  TYR  17           1HD      TYR  17  -5.610  -0.378  -1.028
  108    HD2  TYR  17           2HD      TYR  17  -3.306   0.098   2.589
  109    HE1  TYR  17           1HE      TYR  17  -7.129   1.384  -0.263
  110    HE2  TYR  17           2HE      TYR  17  -4.835   1.845   3.327
  111    HH   TYR  17           HH       TYR  17  -7.591   2.870   1.309
  112    H    ASN  18           H        ASN  18  -3.426   0.489  -2.704
  113    HA   ASN  18           HA       ASN  18  -3.585  -1.659  -4.820
  114   1HB   ASN  18          1HB       ASN  18  -5.448  -0.017  -4.641
  115   2HB   ASN  18          2HB       ASN  18  -4.346   1.230  -5.057
  116   1HD2  ASN  18          1HD2      ASN  18  -4.063   1.359  -7.451
  117   2HD2  ASN  18          2HD2      ASN  18  -5.092   0.286  -8.530
  118    H    ALA  19           H        ALA  19  -1.260   0.703  -3.902
  119    HA   ALA  19           HA       ALA  19  -0.035   1.036  -6.648
  120   1HB   ALA  19          1HB       ALA  19  -0.207   3.089  -5.092
  121   2HB   ALA  19          2HB       ALA  19   0.805   2.259  -3.895
  122   3HB   ALA  19          HB3       ALA  19   1.486   2.714  -5.460
  123    H    LEU  20           H        LEU  20   2.102   0.743  -6.995
  124    HA   LEU  20           HA       LEU  20   2.191  -1.993  -6.905
  125   1HB   LEU  20          2HB       LEU  20   2.905  -0.352  -8.808
  126   2HB   LEU  20          1HB       LEU  20   4.503  -0.437  -8.109
  127    HG   LEU  20           HG       LEU  20   4.212  -3.093  -8.326
  128   1HD1  LEU  20          1HD1      LEU  20   2.039  -2.208 -10.347
  129   2HD1  LEU  20          2HD1      LEU  20   2.666  -3.861 -10.118
  130   3HD1  LEU  20          3HD1      LEU  20   1.724  -3.083  -8.837
  131   1HD2  LEU  20          1HD2      LEU  20   5.033  -3.042 -10.651
  132   2HD2  LEU  20          2HD2      LEU  20   4.495  -1.341 -10.827
  133   3HD2  LEU  20          3HD2      LEU  20   5.789  -1.764  -9.668
  134    H    CYS  21           H        CYS  21   4.668   0.103  -5.307
  135    HA   CYS  21           HA       CYS  21   6.502  -1.987  -4.506
  136   1HB   CYS  21          1HB       CYS  21   7.181  -0.235  -2.911
  137   2HB   CYS  21          2HB       CYS  21   7.374   0.164  -4.613
  138    H    CYS  22           H        CYS  22   3.737  -0.463  -2.700
  139    HA   CYS  22           HA       CYS  22   4.023  -2.634  -0.566
  140   1HB   CYS  22          2HB       CYS  22   4.402  -0.240   0.393
  141   2HB   CYS  22          1HB       CYS  22   2.696   0.072   0.031
  142    H    ARG  23           H        ARG  23   3.042  -3.461  -2.621
  143    HA   ARG  23           HA       ARG  23   0.219  -2.919  -3.040
  144   1HB   ARG  23          2HB       ARG  23   1.941  -3.623  -4.816
  145   2HB   ARG  23          1HB       ARG  23   1.683  -5.286  -4.319
  146   1HG   ARG  23          1HG       ARG  23  -0.847  -4.889  -4.863
  147   2HG   ARG  23          2HG       ARG  23  -0.393  -3.267  -5.395
  148   1HD   ARG  23          2HD       ARG  23   1.317  -4.479  -7.027
  149   2HD   ARG  23          1HD       ARG  23   0.459  -5.971  -6.617
  150    HE   ARG  23           HE       ARG  23  -1.383  -3.785  -7.506
  151   1HH1  ARG  23          2HH2      ARG  23   0.807  -6.290  -8.759
  152   2HH1  ARG  23          1HH2      ARG  23  -0.061  -6.257 -10.375
  153   1HH2  ARG  23          1HH1      ARG  23  -2.317  -3.858  -9.368
  154   2HH2  ARG  23          2HH1      ARG  23  -1.711  -4.971 -10.694
  155    H    LYS  24           H        LYS  24  -0.041  -3.352  -0.770
  156    HA   LYS  24           HA       LYS  24  -0.667  -6.190   0.098
  157   1HB   LYS  24          1HB       LYS  24   0.706  -4.308   1.370
  158   2HB   LYS  24          2HB       LYS  24  -0.821  -3.648   1.828
  159   1HG   LYS  24          2HG       LYS  24  -1.383  -5.882   2.974
  160   2HG   LYS  24          1HG       LYS  24   0.146  -6.528   2.405
  161   1HD   LYS  24          2HD       LYS  24   0.461  -5.935   4.695
  162   2HD   LYS  24          1HD       LYS  24   1.406  -4.798   3.743
  163   1HE   LYS  24          1HE       LYS  24  -0.425  -3.039   4.048
  164   2HE   LYS  24          2HE       LYS  24  -1.381  -4.203   4.976
  165   1HZ   LYS  24          HZ1       LYS  24  -0.101  -2.747   6.418
  166   2HZ   LYS  24          HZ2       LYS  24   1.328  -3.214   5.734
  167   3HZ   LYS  24          HZ3       LYS  24   0.437  -4.298   6.606
  168   1HN   NH2  25          1HN       NH2  25  -2.618  -4.727   2.012
  169   2HN   NH2  25          2HN       NH2  25  -4.085  -4.311   0.968
  Start of MODEL   10
    1   1H    GLY   1          1H        GLY   1   0.113  12.590  -5.491
    2   2H    GLY   1          2H        GLY   1  -1.360  13.337  -5.445
    3   3H    GLY   1          3H        GLY   1   0.007  14.181  -5.059
    4   1HA   GLY   1          2HA       GLY   1  -1.288  13.569  -3.029
    5   2HA   GLY   1          1HA       GLY   1  -1.095  11.898  -3.478
    6    HA   HYP   2           HA       HYP   2   2.461  12.354  -0.895
    7   1HB   HYP   2          1HB       HYP   2   1.617  10.866   1.357
    8   2HB   HYP   2          2HB       HYP   2   1.635  12.628   1.243
    9   1HD   HYP   2          1HD       HYP   2  -1.559  11.829  -1.211
   10   2HD   HYP   2          2HD       HYP   2  -1.020  13.380  -0.645
   11    HOD  HYP   2           HOD      HYP   2  -0.437  13.499   1.578
   12    HG   HYP   2           HG       HYP   2  -0.814  10.796   0.839
   13    HA   HYP   3           HA       HYP   3   3.663   8.152  -2.329
   14   1HB   HYP   3          1HB       HYP   3   5.802   8.254  -0.189
   15   2HB   HYP   3          2HB       HYP   3   5.989   8.000  -1.902
   16   1HD   HYP   3          1HD       HYP   3   4.378  11.756  -1.274
   17   2HD   HYP   3          2HD       HYP   3   4.646  10.944   0.275
   18    HOD  HYP   3           HOD      HYP   3   6.072  11.331  -2.793
   19    HG   HYP   3           HG       HYP   3   6.687  10.375  -0.814
   20    H    CYS   4           H        CYS   4   2.901   6.478  -1.976
   21    HA   CYS   4           HA       CYS   4   1.836   5.004   0.237
   22   1HB   CYS   4          1HB       CYS   4   1.279   4.807  -2.112
   23   2HB   CYS   4          2HB       CYS   4   2.832   4.371  -2.546
   24    H    CYS   5           H        CYS   5   4.975   4.978  -1.245
   25    HA   CYS   5           HA       CYS   5   6.149   3.448   1.001
   26   1HB   CYS   5          1HB       CYS   5   7.214   3.120  -1.742
   27   2HB   CYS   5          2HB       CYS   5   7.665   2.294  -0.277
   28    H    LEU   6           H        LEU   6   7.469   4.781   1.658
   29    HA   LEU   6           HA       LEU   6   8.749   7.099   0.312
   30   1HB   LEU   6          1HB       LEU   6   6.836   7.680   2.036
   31   2HB   LEU   6          2HB       LEU   6   8.064   7.228   3.157
   32    HG   LEU   6           HG       LEU   6   7.992   9.622   1.473
   33   1HD1  LEU   6          1HD1      LEU   6   8.220  10.835   3.603
   34   2HD1  LEU   6          2HD1      LEU   6   8.405   9.290   4.473
   35   3HD1  LEU   6          3HD1      LEU   6   6.853   9.690   3.682
   36   1HD2  LEU   6          1HD2      LEU   6  10.265  10.307   2.336
   37   2HD2  LEU   6          2HD2      LEU   6  10.357   8.885   1.264
   38   3HD2  LEU   6          3HD2      LEU   6  10.431   8.675   3.036
   39    H    TYR   7           H        TYR   7  10.901   7.055   0.827
   40    HA   TYR   7           HA       TYR   7  12.826   5.877   0.738
   41   1HB   TYR   7          1HB       TYR   7  12.042   5.307   3.530
   42   2HB   TYR   7          2HB       TYR   7  13.614   5.274   2.827
   43    HD1  TYR   7           1HD      TYR   7  13.769   7.936   1.308
   44    HD2  TYR   7           2HD      TYR   7  12.018   7.076   5.153
   45    HE1  TYR   7           1HE      TYR   7  14.179  10.242   2.027
   46    HE2  TYR   7           2HE      TYR   7  12.448   9.389   5.850
   47    HH   TYR   7           HH       TYR   7  13.973  11.731   3.648
   48    H    GLY   8           H        GLY   8  11.031   4.215  -0.374
   49   1HA   GLY   8          1HA       GLY   8  10.913   1.974  -1.194
   50   2HA   GLY   8          2HA       GLY   8  12.132   1.415  -0.047
   51    H    SER   9           H        SER   9  10.032   2.839   1.941
   52    HA   SER   9           HA       SER   9   9.610   0.038   2.838
   53   1HB   SER   9          2HB       SER   9  10.655   1.954   4.233
   54   2HB   SER   9          1HB       SER   9   9.043   2.423   4.679
   55    HG   SER   9           HG       SER   9   8.691   0.265   5.361
   56    H    CYS  10           H        CYS  10   7.363   0.584   4.739
   57    HA   CYS  10           HA       CYS  10   4.981   0.757   2.801
   58   1HB   CYS  10          2HB       CYS  10   5.294  -1.266   5.091
   59   2HB   CYS  10          1HB       CYS  10   3.774  -0.875   4.284
   60    H    ARG  11           H        ARG  11   3.895   2.474   3.228
   61    HA   ARG  11           HA       ARG  11   3.593   3.616   6.025
   62   1HB   ARG  11          1HB       ARG  11   5.506   4.566   4.859
   63   2HB   ARG  11          2HB       ARG  11   4.446   5.099   3.537
   64   1HG   ARG  11          2HG       ARG  11   3.259   6.640   4.959
   65   2HG   ARG  11          1HG       ARG  11   3.947   5.968   6.431
   66   1HD   ARG  11          2HD       ARG  11   5.588   7.528   4.310
   67   2HD   ARG  11          1HD       ARG  11   4.892   8.232   5.763
   68    HE   ARG  11           HE       ARG  11   6.734   5.835   6.139
   69   1HH1  ARG  11          1HH2      ARG  11   6.324   9.351   6.506
   70   2HH1  ARG  11          2HH2      ARG  11   7.825   9.428   7.559
   71   1HH2  ARG  11          2HH1      ARG  11   8.449   6.053   7.309
   72   2HH2  ARG  11          1HH1      ARG  11   8.943   7.687   7.982
   73    HA   HYP  12           HA       HYP  12  -0.376   2.777   3.998
   74   1HB   HYP  12          1HB       HYP  12  -2.195   3.020   6.107
   75   2HB   HYP  12          2HB       HYP  12  -1.051   1.669   5.869
   76   1HD   HYP  12          1HD       HYP  12   1.692   2.312   6.796
   77   2HD   HYP  12          2HD       HYP  12   1.732   4.021   7.319
   78    HOD  HYP  12           HOD      HYP  12  -0.091   1.351   7.892
   79    HG   HYP  12           HG       HYP  12  -0.606   4.141   7.671
   80    H    PHE  13           H        PHE  13  -1.608   3.823   2.750
   81    HA   PHE  13           HA       PHE  13  -2.971   6.473   3.340
   82   1HB   PHE  13          1HB       PHE  13  -0.952   6.063   0.999
   83   2HB   PHE  13          2HB       PHE  13  -2.090   7.328   0.957
   84    HD1  PHE  13           1HD      PHE  13  -2.207   8.974   2.998
   85    HD2  PHE  13           2HD      PHE  13   1.156   6.537   1.994
   86    HE1  PHE  13           1HE      PHE  13  -0.740  10.536   4.218
   87    HE2  PHE  13           2HE      PHE  13   2.661   8.109   3.235
   88    HZ   PHE  13           HZ       PHE  13   1.705  10.096   4.354
   89    HA   HYP  14           HA       HYP  14  -6.021   4.878   0.596
   90   1HB   HYP  14          1HB       HYP  14  -7.302   7.035  -0.212
   91   2HB   HYP  14          2HB       HYP  14  -7.204   6.438   1.456
   92   1HD   HYP  14          1HD       HYP  14  -3.870   8.139   1.925
   93   2HD   HYP  14          2HD       HYP  14  -5.206   7.454   2.910
   94    HOD  HYP  14           HOD      HYP  14  -7.096   8.477   2.559
   95    HG   HYP  14           HG       HYP  14  -5.419   8.680   0.282
   96    H    GLY  15           H        GLY  15  -5.799   4.116  -1.116
   97   1HA   GLY  15          1HA       GLY  15  -5.135   3.395  -3.313
   98   2HA   GLY  15          2HA       GLY  15  -4.536   5.008  -3.574
   99    H    CYS  16           H        CYS  16  -3.164   3.655  -0.857
  100    HA   CYS  16           HA       CYS  16  -0.523   3.189  -2.157
  101   1HB   CYS  16          1HB       CYS  16  -0.389   4.299  -0.166
  102   2HB   CYS  16          2HB       CYS  16  -1.382   3.122   0.766
  103    H    TYR  17           H        TYR  17  -2.639   1.243  -0.217
  104    HA   TYR  17           HA       TYR  17  -1.619  -1.467  -0.854
  105   1HB   TYR  17          1HB       TYR  17  -3.974  -2.270  -0.307
  106   2HB   TYR  17          2HB       TYR  17  -2.946  -1.669   0.933
  107    HD1  TYR  17           1HD      TYR  17  -3.600   0.175   2.361
  108    HD2  TYR  17           2HD      TYR  17  -5.888  -0.496  -1.238
  109    HE1  TYR  17           1HE      TYR  17  -5.212   1.854   3.067
  110    HE2  TYR  17           2HE      TYR  17  -7.492   1.198  -0.504
  111    HH   TYR  17           HH       TYR  17  -7.059   2.974   2.550
  112    H    ASN  18           H        ASN  18  -3.540   0.628  -2.874
  113    HA   ASN  18           HA       ASN  18  -3.722  -1.469  -5.045
  114   1HB   ASN  18          1HB       ASN  18  -5.538   0.227  -4.877
  115   2HB   ASN  18          2HB       ASN  18  -4.386   1.448  -5.230
  116   1HD2  ASN  18          1HD2      ASN  18  -3.987   1.595  -7.610
  117   2HD2  ASN  18          2HD2      ASN  18  -5.035   0.602  -8.747
  118    H    ALA  19           H        ALA  19  -1.354   0.789  -3.981
  119    HA   ALA  19           HA       ALA  19  -0.004   1.097  -6.679
  120   1HB   ALA  19          1HB       ALA  19  -0.204   3.160  -5.170
  121   2HB   ALA  19          2HB       ALA  19   1.495   2.742  -5.445
  122   3HB   ALA  19          HB3       ALA  19   0.728   2.327  -3.906
  123    H    LEU  20           H        LEU  20   2.215   0.838  -6.829
  124    HA   LEU  20           HA       LEU  20   2.194  -1.909  -6.881
  125   1HB   LEU  20          2HB       LEU  20   3.080  -0.114  -8.607
  126   2HB   LEU  20          1HB       LEU  20   4.637  -0.340  -7.873
  127    HG   LEU  20           HG       LEU  20   4.379  -1.538  -9.960
  128   1HD1  LEU  20          1HD2      LEU  20   4.528  -3.733  -7.818
  129   2HD1  LEU  20          2HD2      LEU  20   5.226  -3.750  -9.448
  130   3HD1  LEU  20          3HD2      LEU  20   5.865  -2.627  -8.229
  131   1HD2  LEU  20          1HD1      LEU  20   1.898  -1.928  -9.943
  132   2HD2  LEU  20          2HD1      LEU  20   2.113  -3.252  -8.773
  133   3HD2  LEU  20          3HD1      LEU  20   2.810  -3.381 -10.402
  134    H    CYS  21           H        CYS  21   4.676   0.039  -5.127
  135    HA   CYS  21           HA       CYS  21   6.428  -2.080  -4.284
  136   1HB   CYS  21          1HB       CYS  21   7.009  -0.431  -2.567
  137   2HB   CYS  21          2HB       CYS  21   7.278   0.099  -4.221
  138    H    CYS  22           H        CYS  22   3.624  -0.681  -2.525
  139    HA   CYS  22           HA       CYS  22   3.789  -3.012  -0.547
  140   1HB   CYS  22          1HB       CYS  22   3.168  -0.080   0.119
  141   2HB   CYS  22          2HB       CYS  22   2.785  -1.455   1.179
  142    H    ARG  23           H        ARG  23   2.713  -3.531  -2.613
  143    HA   ARG  23           HA       ARG  23  -0.076  -2.775  -2.904
  144   1HB   ARG  23          2HB       ARG  23   1.555  -3.490  -4.788
  145   2HB   ARG  23          1HB       ARG  23   1.167  -5.153  -4.391
  146   1HG   ARG  23          2HG       ARG  23  -1.327  -4.543  -4.818
  147   2HG   ARG  23          1HG       ARG  23  -0.790  -2.912  -5.215
  148   1HD   ARG  23          1HD       ARG  23   0.767  -4.069  -7.033
  149   2HD   ARG  23          2HD       ARG  23  -0.193  -5.528  -6.740
  150    HE   ARG  23           HE       ARG  23  -1.976  -3.231  -7.270
  151   1HH1  ARG  23          1HH2      ARG  23   0.258  -5.386  -9.003
  152   2HH1  ARG  23          2HH2      ARG  23  -0.616  -5.043 -10.579
  153   1HH2  ARG  23          1HH1      ARG  23  -2.908  -2.934  -9.107
  154   2HH2  ARG  23          2HH1      ARG  23  -2.290  -3.747 -10.631
  155    H    LYS  24           H        LYS  24  -0.302  -3.390  -0.633
  156    HA   LYS  24           HA       LYS  24  -1.160  -6.243  -0.045
  157   1HB   LYS  24          1HB       LYS  24   0.329  -4.595   1.431
  158   2HB   LYS  24          2HB       LYS  24  -1.165  -3.930   1.979
  159   1HG   LYS  24          1HG       LYS  24  -1.861  -6.289   2.751
  160   2HG   LYS  24          2HG       LYS  24  -0.303  -6.896   2.193
  161   1HD   LYS  24          1HD       LYS  24   0.882  -5.335   3.785
  162   2HD   LYS  24          2HD       LYS  24  -0.655  -4.710   4.360
  163   1HE   LYS  24          2HE       LYS  24   0.240  -7.669   4.606
  164   2HE   LYS  24          1HE       LYS  24   0.450  -6.453   5.862
  165   1HZ   LYS  24          HZ1       LYS  24  -2.186  -7.329   4.793
  166   2HZ   LYS  24          HZ2       LYS  24  -1.534  -7.760   6.248
  167   3HZ   LYS  24          HZ3       LYS  24  -1.968  -6.190   5.969
  168   1HN   NH2  25          1HN       NH2  25  -3.011  -4.800   1.996
  169   2HN   NH2  25          2HN       NH2  25  -4.439  -4.199   0.984
  Start of MODEL   11
    1   1H    GLY   1          1H        GLY   1  -2.312   9.807  -3.813
    2   2H    GLY   1          2H        GLY   1  -3.730  10.635  -3.631
    3   3H    GLY   1          3H        GLY   1  -2.436  11.362  -4.356
    4   1HA   GLY   1          2HA       GLY   1  -2.739  12.174  -2.024
    5   2HA   GLY   1          1HA       GLY   1  -2.559  10.534  -1.490
    6    HA   HYP   2           HA       HYP   2   1.619  12.007  -1.063
    7   1HB   HYP   2          1HB       HYP   2   1.390  10.912   1.693
    8   2HB   HYP   2          2HB       HYP   2   1.994  12.522   1.226
    9   1HD   HYP   2          1HD       HYP   2  -1.969  12.511   0.063
   10   2HD   HYP   2          2HD       HYP   2  -1.698  10.895   0.686
   11    HOD  HYP   2           HOD      HYP   2   0.184  13.902   0.130
   12    HG   HYP   2           HG       HYP   2  -0.511  12.401   2.422
   13    HA   HYP   3           HA       HYP   3   3.515   8.058  -2.028
   14   1HB   HYP   3          1HB       HYP   3   5.483   8.601   0.222
   15   2HB   HYP   3          2HB       HYP   3   5.919   8.064  -1.340
   16   1HD   HYP   3          1HD       HYP   3   3.651  11.558  -1.570
   17   2HD   HYP   3          2HD       HYP   3   4.172  11.246   0.094
   18    HOD  HYP   3           HOD      HYP   3   4.590   9.677  -3.081
   19    HG   HYP   3           HG       HYP   3   6.194  10.683  -0.968
   20    H    CYS   4           H        CYS   4   2.973   6.320  -1.705
   21    HA   CYS   4           HA       CYS   4   1.846   4.788   0.478
   22   1HB   CYS   4          1HB       CYS   4   1.307   4.672  -1.910
   23   2HB   CYS   4          2HB       CYS   4   2.882   4.232  -2.307
   24    H    CYS   5           H        CYS   5   4.989   5.018  -0.910
   25    HA   CYS   5           HA       CYS   5   6.182   3.249   1.154
   26   1HB   CYS   5          1HB       CYS   5   7.155   3.141  -1.636
   27   2HB   CYS   5          2HB       CYS   5   7.661   2.181  -0.254
   28    H    LEU   6           H        LEU   6   7.545   4.518   1.895
   29    HA   LEU   6           HA       LEU   6   8.563   7.143   0.803
   30   1HB   LEU   6          2HB       LEU   6   6.827   7.392   2.450
   31   2HB   LEU   6          1HB       LEU   6   7.941   6.756   3.647
   32    HG   LEU   6           HG       LEU   6   7.764   9.152   3.617
   33   1HD1  LEU   6          1HD1      LEU   6   9.923   8.197   4.385
   34   2HD1  LEU   6          2HD1      LEU   6  10.059   9.876   3.800
   35   3HD1  LEU   6          3HD1      LEU   6  10.596   8.533   2.761
   36   1HD2  LEU   6          1HD2      LEU   6   9.016   9.377   0.850
   37   2HD2  LEU   6          2HD2      LEU   6   8.566  10.717   1.931
   38   3HD2  LEU   6          3HD2      LEU   6   7.298   9.675   1.251
   39    H    TYR   7           H        TYR   7  10.727   6.942   0.632
   40    HA   TYR   7           HA       TYR   7  12.714   5.854   0.292
   41   1HB   TYR   7          1HB       TYR   7  12.429   5.445   3.205
   42   2HB   TYR   7          2HB       TYR   7  13.850   5.378   2.237
   43    HD1  TYR   7           1HD      TYR   7  13.370   8.053   0.552
   44    HD2  TYR   7           2HD      TYR   7  12.953   7.220   4.764
   45    HE1  TYR   7           1HE      TYR   7  13.810  10.400   1.076
   46    HE2  TYR   7           2HE      TYR   7  13.407   9.576   5.257
   47    HH   TYR   7           HH       TYR   7  13.837  11.580   4.432
   48    H    GLY   8           H        GLY   8  10.987   4.152  -0.591
   49   1HA   GLY   8          1HA       GLY   8  10.905   1.915  -1.371
   50   2HA   GLY   8          2HA       GLY   8  12.199   1.406  -0.281
   51    H    SER   9           H        SER   9  10.248   2.721   1.833
   52    HA   SER   9           HA       SER   9   9.831  -0.110   2.656
   53   1HB   SER   9          2HB       SER   9  11.061   1.635   4.025
   54   2HB   SER   9          1HB       SER   9   9.595   2.271   4.622
   55    HG   SER   9           HG       SER   9   9.018   0.140   5.287
   56    H    CYS  10           H        CYS  10   7.552   1.076   4.689
   57    HA   CYS  10           HA       CYS  10   5.334   1.323   2.678
   58   1HB   CYS  10          1HB       CYS  10   5.317  -1.046   3.063
   59   2HB   CYS  10          2HB       CYS  10   5.059  -0.875   4.820
   60    H    ARG  11           H        ARG  11   3.708   2.369   3.270
   61    HA   ARG  11           HA       ARG  11   3.612   4.023   5.818
   62   1HB   ARG  11          1HB       ARG  11   5.418   4.716   4.259
   63   2HB   ARG  11          2HB       ARG  11   4.183   5.041   3.044
   64   1HG   ARG  11          1HG       ARG  11   4.637   7.135   3.874
   65   2HG   ARG  11          2HG       ARG  11   3.141   6.703   4.682
   66   1HD   ARG  11          2HD       ARG  11   4.708   7.837   6.268
   67   2HD   ARG  11          1HD       ARG  11   4.388   6.196   6.824
   68    HE   ARG  11           HE       ARG  11   6.667   5.605   5.556
   69   1HH1  ARG  11          2HH1      ARG  11   6.075   8.557   7.454
   70   2HH1  ARG  11          1HH1      ARG  11   7.856   8.655   7.884
   71   1HH2  ARG  11          1HH2      ARG  11   8.677   5.834   6.091
   72   2HH2  ARG  11          2HH2      ARG  11   9.228   7.217   7.163
   73    HA   HYP  12           HA       HYP  12  -0.441   2.807   4.056
   74   1HB   HYP  12          1HB       HYP  12  -2.140   3.083   6.249
   75   2HB   HYP  12          2HB       HYP  12  -0.934   1.782   6.029
   76   1HD   HYP  12          1HD       HYP  12   1.827   2.637   6.768
   77   2HD   HYP  12          2HD       HYP  12   1.785   4.379   7.161
   78    HOD  HYP  12           HOD      HYP  12   0.414   2.841   9.033
   79    HG   HYP  12           HG       HYP  12  -0.534   4.381   7.654
   80    H    PHE  13           H        PHE  13  -1.701   3.787   2.766
   81    HA   PHE  13           HA       PHE  13  -3.194   6.369   3.317
   82   1HB   PHE  13          1HB       PHE  13  -1.135   6.060   0.992
   83   2HB   PHE  13          2HB       PHE  13  -2.339   7.265   0.936
   84    HD1  PHE  13           1HD      PHE  13  -2.569   8.901   2.996
   85    HD2  PHE  13           2HD      PHE  13   0.939   6.676   1.980
   86    HE1  PHE  13           1HE      PHE  13  -1.212  10.487   4.301
   87    HE2  PHE  13           2HE      PHE  13   2.333   8.300   3.281
   88    HZ   PHE  13           HZ       PHE  13   1.248  10.171   4.472
   89    HA   HYP  14           HA       HYP  14  -6.114   4.649   0.466
   90   1HB   HYP  14          1HB       HYP  14  -7.473   6.760  -0.326
   91   2HB   HYP  14          2HB       HYP  14  -7.388   6.137   1.335
   92   1HD   HYP  14          1HD       HYP  14  -4.158   7.987   1.908
   93   2HD   HYP  14          2HD       HYP  14  -5.486   7.242   2.864
   94    HOD  HYP  14           HOD      HYP  14  -7.418   8.161   2.468
   95    HG   HYP  14           HG       HYP  14  -5.689   8.483   0.244
   96    H    GLY  15           H        GLY  15  -5.809   3.962  -1.278
   97   1HA   GLY  15          1HA       GLY  15  -4.984   3.340  -3.448
   98   2HA   GLY  15          2HA       GLY  15  -4.434   4.980  -3.616
   99    H    CYS  16           H        CYS  16  -3.186   3.497  -0.878
  100    HA   CYS  16           HA       CYS  16  -0.467   3.133  -2.056
  101   1HB   CYS  16          1HB       CYS  16  -0.429   4.173  -0.027
  102   2HB   CYS  16          2HB       CYS  16  -1.472   2.967   0.814
  103    H    TYR  17           H        TYR  17  -2.593   1.095  -0.221
  104    HA   TYR  17           HA       TYR  17  -1.637  -1.580  -1.126
  105   1HB   TYR  17          1HB       TYR  17  -3.940  -2.416  -0.473
  106   2HB   TYR  17          2HB       TYR  17  -2.852  -1.872   0.741
  107    HD1  TYR  17           1HD      TYR  17  -5.850  -0.512  -1.256
  108    HD2  TYR  17           2HD      TYR  17  -3.479  -0.183   2.336
  109    HE1  TYR  17           1HE      TYR  17  -7.366   1.194  -0.381
  110    HE2  TYR  17           2HE      TYR  17  -5.005   1.510   3.183
  111    HH   TYR  17           HH       TYR  17  -7.810   2.605   1.268
  112    H    ASN  18           H        ASN  18  -3.347   0.764  -2.937
  113    HA   ASN  18           HA       ASN  18  -3.737  -1.206  -5.220
  114   1HB   ASN  18          1HB       ASN  18  -5.521   0.484  -4.918
  115   2HB   ASN  18          2HB       ASN  18  -4.365   1.723  -5.171
  116   1HD2  ASN  18          1HD2      ASN  18  -3.855   1.966  -7.537
  117   2HD2  ASN  18          2HD2      ASN  18  -4.974   1.156  -8.753
  118    H    ALA  19           H        ALA  19  -1.313   0.882  -4.021
  119    HA   ALA  19           HA       ALA  19   0.109   1.240  -6.689
  120   1HB   ALA  19          1HB       ALA  19  -0.017   3.299  -5.150
  121   2HB   ALA  19          2HB       ALA  19   0.807   2.389  -3.864
  122   3HB   ALA  19          HB3       ALA  19   1.665   2.782  -5.360
  123    H    LEU  20           H        LEU  20   2.179   0.728  -6.951
  124    HA   LEU  20           HA       LEU  20   2.109  -1.978  -6.751
  125   1HB   LEU  20          2HB       LEU  20   3.024  -0.461  -8.625
  126   2HB   LEU  20          1HB       LEU  20   4.569  -0.477  -7.827
  127    HG   LEU  20           HG       LEU  20   4.386  -1.933  -9.792
  128   1HD1  LEU  20          1HD2      LEU  20   4.885  -3.765  -7.380
  129   2HD1  LEU  20          2HD2      LEU  20   5.528  -3.924  -9.025
  130   3HD1  LEU  20          3HD2      LEU  20   6.047  -2.566  -8.003
  131   1HD2  LEU  20          1HD1      LEU  20   1.980  -2.623  -9.621
  132   2HD2  LEU  20          2HD1      LEU  20   2.391  -3.734  -8.290
  133   3HD2  LEU  20          3HD1      LEU  20   3.062  -4.001  -9.916
  134    H    CYS  21           H        CYS  21   4.613  -0.007  -5.083
  135    HA   CYS  21           HA       CYS  21   6.330  -2.126  -4.144
  136   1HB   CYS  21          1HB       CYS  21   7.033  -0.369  -2.587
  137   2HB   CYS  21          2HB       CYS  21   7.211   0.045  -4.281
  138    H    CYS  22           H        CYS  22   3.394  -0.846  -2.664
  139    HA   CYS  22           HA       CYS  22   3.651  -2.714  -0.332
  140   1HB   CYS  22          2HB       CYS  22   4.177  -0.302   0.523
  141   2HB   CYS  22          1HB       CYS  22   2.482   0.080   0.178
  142    H    ARG  23           H        ARG  23   2.537  -2.964  -2.795
  143    HA   ARG  23           HA       ARG  23  -0.253  -2.579  -2.799
  144   1HB   ARG  23          2HB       ARG  23   1.252  -3.305  -4.828
  145   2HB   ARG  23          1HB       ARG  23   0.857  -4.956  -4.394
  146   1HG   ARG  23          1HG       ARG  23  -1.641  -4.296  -4.593
  147   2HG   ARG  23          2HG       ARG  23  -1.114  -2.665  -5.002
  148   1HD   ARG  23          2HD       ARG  23   0.212  -3.791  -7.001
  149   2HD   ARG  23          1HD       ARG  23  -0.730  -5.241  -6.672
  150    HE   ARG  23           HE       ARG  23  -1.735  -2.551  -7.676
  151   1HH1  ARG  23          1HH1      ARG  23  -2.702  -5.808  -6.625
  152   2HH1  ARG  23          2HH1      ARG  23  -4.377  -5.556  -7.331
  153   1HH2  ARG  23          2HH2      ARG  23  -3.659  -2.391  -8.484
  154   2HH2  ARG  23          1HH2      ARG  23  -4.880  -3.750  -8.313
  155    H    LYS  24           H        LYS  24   1.332  -5.644  -1.996
  156    HA   LYS  24           HA       LYS  24  -0.999  -6.476  -0.230
  157   1HB   LYS  24          1HB       LYS  24  -1.196  -7.356  -2.772
  158   2HB   LYS  24          2HB       LYS  24  -0.005  -8.512  -2.316
  159   1HG   LYS  24          1HG       LYS  24  -1.560  -9.332  -0.443
  160   2HG   LYS  24          2HG       LYS  24  -2.715  -8.086  -0.888
  161   1HD   LYS  24          2HD       LYS  24  -3.515 -10.121  -1.834
  162   2HD   LYS  24          1HD       LYS  24  -2.985  -9.116  -3.178
  163   1HE   LYS  24          2HE       LYS  24  -0.825 -10.471  -3.328
  164   2HE   LYS  24          1HE       LYS  24  -1.344 -11.447  -1.946
  165   1HZ   LYS  24          HZ1       LYS  24  -1.858 -12.527  -4.045
  166   2HZ   LYS  24          HZ2       LYS  24  -3.269 -12.172  -3.263
  167   3HZ   LYS  24          HZ3       LYS  24  -2.785 -11.256  -4.549
  168   1HN   NH2  25          1HN       NH2  25   0.475  -9.206  -0.409
  169   2HN   NH2  25          2HN       NH2  25   2.145  -8.867   0.313
  Start of MODEL   12
    1   1H    GLY   1          1H        GLY   1  -3.584  10.988  -3.692
    2   2H    GLY   1          2H        GLY   1  -2.183  10.136  -3.900
    3   3H    GLY   1          3H        GLY   1  -2.270  11.713  -4.383
    4   1HA   GLY   1          2HA       GLY   1  -2.568  12.442  -2.023
    5   2HA   GLY   1          1HA       GLY   1  -2.426  10.779  -1.551
    6    HA   HYP   2           HA       HYP   2   1.781  12.140  -1.057
    7   1HB   HYP   2          1HB       HYP   2   1.524  10.974   1.666
    8   2HB   HYP   2          2HB       HYP   2   2.153  12.587   1.244
    9   1HD   HYP   2          1HD       HYP   2  -1.804  12.683   0.078
   10   2HD   HYP   2          2HD       HYP   2  -1.567  11.041   0.643
   11    HOD  HYP   2           HOD      HYP   2   0.370  14.032   0.202
   12    HG   HYP   2           HG       HYP   2  -0.359  12.461   2.436
   13    HA   HYP   3           HA       HYP   3   3.590   8.144  -2.086
   14   1HB   HYP   3          1HB       HYP   3   5.560   8.637   0.179
   15   2HB   HYP   3          2HB       HYP   3   5.996   8.101  -1.382
   16   1HD   HYP   3          1HD       HYP   3   3.803  11.654  -1.576
   17   2HD   HYP   3          2HD       HYP   3   4.311  11.295   0.081
   18    HOD  HYP   3           HOD      HYP   3   5.515  11.132  -3.072
   19    HG   HYP   3           HG       HYP   3   6.323  10.710  -0.995
   20    H    CYS   4           H        CYS   4   3.021   6.412  -1.772
   21    HA   CYS   4           HA       CYS   4   1.854   4.904   0.403
   22   1HB   CYS   4          1HB       CYS   4   1.322   4.772  -1.977
   23   2HB   CYS   4          2HB       CYS   4   2.892   4.326  -2.379
   24    H    CYS   5           H        CYS   5   5.005   5.067  -0.972
   25    HA   CYS   5           HA       CYS   5   6.150   3.267   1.096
   26   1HB   CYS   5          1HB       CYS   5   7.179   3.204  -1.679
   27   2HB   CYS   5          2HB       CYS   5   7.647   2.216  -0.305
   28    H    LEU   6           H        LEU   6   7.506   4.521   1.880
   29    HA   LEU   6           HA       LEU   6   8.620   7.115   0.815
   30   1HB   LEU   6          2HB       LEU   6   6.840   7.417   2.409
   31   2HB   LEU   6          1HB       LEU   6   7.905   6.763   3.640
   32    HG   LEU   6           HG       LEU   6   7.790   9.163   3.589
   33   1HD1  LEU   6          1HD1      LEU   6  10.626   8.467   2.807
   34   2HD1  LEU   6          2HD1      LEU   6  10.096   9.834   3.820
   35   3HD1  LEU   6          3HD1      LEU   6   9.905   8.165   4.418
   36   1HD2  LEU   6          1HD2      LEU   6   7.399   9.674   1.204
   37   2HD2  LEU   6          2HD2      LEU   6   8.671  10.694   1.910
   38   3HD2  LEU   6          3HD2      LEU   6   9.119   9.334   0.854
   39    H    TYR   7           H        TYR   7  10.779   6.849   0.706
   40    HA   TYR   7           HA       TYR   7  12.743   5.710   0.430
   41   1HB   TYR   7          1HB       TYR   7  12.360   5.297   3.331
   42   2HB   TYR   7          2HB       TYR   7  13.806   5.192   2.404
   43    HD1  TYR   7           1HD      TYR   7  13.481   7.879   0.722
   44    HD2  TYR   7           2HD      TYR   7  12.853   7.059   4.910
   45    HE1  TYR   7           1HE      TYR   7  13.970  10.212   1.268
   46    HE2  TYR   7           2HE      TYR   7  13.358   9.399   5.426
   47    HH   TYR   7           HH       TYR   7  13.885  11.389   4.624
   48    H    GLY   8           H        GLY   8  11.012   4.060  -0.527
   49   1HA   GLY   8          1HA       GLY   8  10.903   1.829  -1.320
   50   2HA   GLY   8          2HA       GLY   8  12.131   1.280  -0.176
   51    H    SER   9           H        SER   9  10.146   2.635   1.862
   52    HA   SER   9           HA       SER   9   9.618  -0.191   2.646
   53   1HB   SER   9          2HB       SER   9  10.888   1.507   4.047
   54   2HB   SER   9          1HB       SER   9   9.426   2.176   4.630
   55    HG   SER   9           HG       SER   9   8.789   0.055   5.265
   56    H    CYS  10           H        CYS  10   7.385   0.958   4.679
   57    HA   CYS  10           HA       CYS  10   5.117   1.192   2.674
   58   1HB   CYS  10          2HB       CYS  10   5.198  -1.257   3.621
   59   2HB   CYS  10          1HB       CYS  10   4.619  -0.517   5.138
   60    H    ARG  11           H        ARG  11   3.614   2.491   3.223
   61    HA   ARG  11           HA       ARG  11   3.570   4.138   5.778
   62   1HB   ARG  11          1HB       ARG  11   5.376   4.795   4.221
   63   2HB   ARG  11          2HB       ARG  11   4.148   5.151   3.004
   64   1HG   ARG  11          1HG       ARG  11   4.650   7.229   3.846
   65   2HG   ARG  11          2HG       ARG  11   3.142   6.827   4.645
   66   1HD   ARG  11          1HD       ARG  11   4.735   7.923   6.238
   67   2HD   ARG  11          2HD       ARG  11   4.365   6.291   6.792
   68    HE   ARG  11           HE       ARG  11   6.638   5.647   5.522
   69   1HH1  ARG  11          1HH2      ARG  11   6.103   8.574   7.476
   70   2HH1  ARG  11          2HH2      ARG  11   7.881   8.614   7.928
   71   1HH2  ARG  11          2HH1      ARG  11   8.646   5.810   6.083
   72   2HH2  ARG  11          1HH1      ARG  11   9.221   7.155   7.192
   73    HA   HYP  12           HA       HYP  12  -0.468   2.750   3.983
   74   1HB   HYP  12          1HB       HYP  12  -1.692   3.546   6.640
   75   2HB   HYP  12          2HB       HYP  12  -1.844   2.012   5.737
   76   1HD   HYP  12          1HD       HYP  12   1.384   3.923   7.259
   77   2HD   HYP  12          2HD       HYP  12   2.198   2.547   6.493
   78    HOD  HYP  12           HOD      HYP  12  -0.455   0.369   6.497
   79    HG   HYP  12           HG       HYP  12  -0.134   2.114   7.910
   80    H    PHE  13           H        PHE  13  -1.443   3.942   2.543
   81    HA   PHE  13           HA       PHE  13  -3.122   6.400   3.276
   82   1HB   PHE  13          1HB       PHE  13  -1.085   6.173   0.925
   83   2HB   PHE  13          2HB       PHE  13  -2.306   7.360   0.906
   84    HD1  PHE  13           1HD      PHE  13  -2.546   8.921   3.045
   85    HD2  PHE  13           2HD      PHE  13   0.988   6.819   1.875
   86    HE1  PHE  13           1HE      PHE  13  -1.196  10.513   4.348
   87    HE2  PHE  13           2HE      PHE  13   2.375   8.440   3.188
   88    HZ   PHE  13           HZ       PHE  13   1.275  10.257   4.449
   89    HA   HYP  14           HA       HYP  14  -6.101   4.708   0.505
   90   1HB   HYP  14          1HB       HYP  14  -7.460   6.809  -0.296
   91   2HB   HYP  14          2HB       HYP  14  -7.354   6.197   1.369
   92   1HD   HYP  14          1HD       HYP  14  -4.115   8.046   1.901
   93   2HD   HYP  14          2HD       HYP  14  -5.426   7.283   2.861
   94    HOD  HYP  14           HOD      HYP  14  -6.492   9.512   2.115
   95    HG   HYP  14           HG       HYP  14  -5.663   8.533   0.245
   96    H    GLY  15           H        GLY  15  -5.794   3.961  -1.195
   97   1HA   GLY  15          1HA       GLY  15  -5.024   3.278  -3.368
   98   2HA   GLY  15          2HA       GLY  15  -4.488   4.915  -3.603
   99    H    CYS  16           H        CYS  16  -3.168   3.528  -0.840
  100    HA   CYS  16           HA       CYS  16  -0.472   3.185  -2.071
  101   1HB   CYS  16          1HB       CYS  16  -0.393   4.280  -0.072
  102   2HB   CYS  16          2HB       CYS  16  -1.404   3.084   0.823
  103    H    TYR  17           H        TYR  17  -2.469   1.163  -0.075
  104    HA   TYR  17           HA       TYR  17  -1.493  -1.529  -0.808
  105   1HB   TYR  17          2HB       TYR  17  -3.911  -2.282  -0.263
  106   2HB   TYR  17          1HB       TYR  17  -2.773  -1.884   0.953
  107    HD1  TYR  17           1HD      TYR  17  -3.252  -0.277   2.652
  108    HD2  TYR  17           2HD      TYR  17  -5.632  -0.136  -0.947
  109    HE1  TYR  17           1HE      TYR  17  -4.595   1.509   3.606
  110    HE2  TYR  17           2HE      TYR  17  -6.963   1.663   0.034
  111    HH   TYR  17           HH       TYR  17  -6.268   2.938   3.284
  112    H    ASN  18           H        ASN  18  -3.465   0.596  -2.697
  113    HA   ASN  18           HA       ASN  18  -3.724  -1.416  -4.938
  114   1HB   ASN  18          1HB       ASN  18  -5.548   0.196  -4.675
  115   2HB   ASN  18          2HB       ASN  18  -4.456   1.492  -4.917
  116   1HD2  ASN  18          1HD2      ASN  18  -4.030   1.838  -7.279
  117   2HD2  ASN  18          2HD2      ASN  18  -5.075   0.944  -8.499
  118    H    ALA  19           H        ALA  19  -1.338   0.835  -3.907
  119    HA   ALA  19           HA       ALA  19  -0.024   1.174  -6.615
  120   1HB   ALA  19          1HB       ALA  19   0.818   2.271  -3.807
  121   2HB   ALA  19          2HB       ALA  19   1.583   2.706  -5.336
  122   3HB   ALA  19          HB3       ALA  19  -0.086   3.199  -5.021
  123    H    LEU  20           H        LEU  20   2.126   0.836  -6.881
  124    HA   LEU  20           HA       LEU  20   2.153  -1.910  -6.888
  125   1HB   LEU  20          1HB       LEU  20   2.940  -0.169  -8.680
  126   2HB   LEU  20          2HB       LEU  20   4.519  -0.269  -7.965
  127    HG   LEU  20           HG       LEU  20   4.275  -1.549 -10.020
  128   1HD1  LEU  20          1HD2      LEU  20   5.915  -2.435  -8.309
  129   2HD1  LEU  20          2HD2      LEU  20   5.334  -3.653  -9.466
  130   3HD1  LEU  20          3HD2      LEU  20   4.698  -3.639  -7.811
  131   1HD2  LEU  20          1HD1      LEU  20   2.856  -3.534 -10.329
  132   2HD2  LEU  20          2HD1      LEU  20   2.221  -3.405  -8.676
  133   3HD2  LEU  20          3HD1      LEU  20   1.837  -2.150  -9.878
  134    H    CYS  21           H        CYS  21   4.616   0.135  -5.197
  135    HA   CYS  21           HA       CYS  21   6.408  -1.971  -4.359
  136   1HB   CYS  21          1HB       CYS  21   7.098  -0.270  -2.751
  137   2HB   CYS  21          2HB       CYS  21   7.259   0.206  -4.436
  138    H    CYS  22           H        CYS  22   3.641  -0.434  -2.567
  139    HA   CYS  22           HA       CYS  22   3.885  -2.628  -0.448
  140   1HB   CYS  22          2HB       CYS  22   4.336  -0.265   0.511
  141   2HB   CYS  22          1HB       CYS  22   2.651   0.130   0.130
  142    H    ARG  23           H        ARG  23   2.878  -3.406  -2.532
  143    HA   ARG  23           HA       ARG  23   0.051  -2.840  -2.878
  144   1HB   ARG  23          2HB       ARG  23   1.719  -3.564  -4.706
  145   2HB   ARG  23          1HB       ARG  23   1.436  -5.224  -4.216
  146   1HG   ARG  23          2HG       ARG  23  -1.081  -4.815  -4.688
  147   2HG   ARG  23          1HG       ARG  23  -0.670  -3.161  -5.149
  148   1HD   ARG  23          2HD       ARG  23   0.973  -4.232  -6.918
  149   2HD   ARG  23          1HD       ARG  23   0.176  -5.773  -6.562
  150    HE   ARG  23           HE       ARG  23  -1.838  -3.699  -7.192
  151   1HH1  ARG  23          2HH1      ARG  23   0.600  -5.711  -8.818
  152   2HH1  ARG  23          1HH1      ARG  23  -0.308  -5.550 -10.404
  153   1HH2  ARG  23          1HH2      ARG  23  -2.798  -3.602  -9.039
  154   2HH2  ARG  23          2HH2      ARG  23  -2.103  -4.435 -10.518
  155    H    LYS  24           H        LYS  24  -0.202  -3.254  -0.655
  156    HA   LYS  24           HA       LYS  24  -0.708  -6.051   0.352
  157   1HB   LYS  24          1HB       LYS  24   0.467  -4.028   1.557
  158   2HB   LYS  24          2HB       LYS  24  -1.112  -3.406   1.878
  159   1HG   LYS  24          2HG       LYS  24  -1.627  -5.564   3.187
  160   2HG   LYS  24          1HG       LYS  24  -0.035  -6.167   2.758
  161   1HD   LYS  24          2HD       LYS  24   0.109  -5.348   5.002
  162   2HD   LYS  24          1HD       LYS  24   1.052  -4.256   3.997
  163   1HE   LYS  24          2HE       LYS  24  -0.880  -2.578   4.028
  164   2HE   LYS  24          1HE       LYS  24  -1.827  -3.699   5.016
  165   1HZ   LYS  24          HZ1       LYS  24   0.781  -2.491   5.809
  166   2HZ   LYS  24          HZ2       LYS  24  -0.707  -2.041   6.369
  167   3HZ   LYS  24          HZ3       LYS  24  -0.102  -3.533   6.738
  168   1HN   NH2  25          1HN       NH2  25  -2.850  -4.598   2.076
  169   2HN   NH2  25          2HN       NH2  25  -4.297  -4.377   0.948
  Start of MODEL   13
    1   1H    GLY   1          1H        GLY   1  -2.415  13.917  -2.343
    2   2H    GLY   1          2H        GLY   1  -1.872  12.416  -2.769
    3   3H    GLY   1          3H        GLY   1  -1.051  13.762  -3.262
    4   1HA   GLY   1          1HA       GLY   1  -0.456  14.313  -0.943
    5   2HA   GLY   1          2HA       GLY   1  -1.356  12.918  -0.409
    6    HA   HYP   2           HA       HYP   2   3.274  12.455  -0.819
    7   1HB   HYP   2          1HB       HYP   2   3.113  10.876   1.713
    8   2HB   HYP   2          2HB       HYP   2   4.182  12.253   1.364
    9   1HD   HYP   2          1HD       HYP   2   0.391  13.819   1.081
   10   2HD   HYP   2          2HD       HYP   2   0.083  12.148   1.483
   11    HOD  HYP   2           HOD      HYP   2   2.091  14.812   2.187
   12    HG   HYP   2           HG       HYP   2   2.047  12.740   3.045
   13    HA   HYP   3           HA       HYP   3   3.783   8.124  -2.482
   14   1HB   HYP   3          1HB       HYP   3   6.279   8.048  -0.783
   15   2HB   HYP   3          2HB       HYP   3   6.134   7.651  -2.453
   16   1HD   HYP   3          1HD       HYP   3   4.943  11.576  -1.848
   17   2HD   HYP   3          2HD       HYP   3   5.617  10.883  -0.362
   18    HOD  HYP   3           HOD      HYP   3   5.050   9.742  -3.692
   19    HG   HYP   3           HG       HYP   3   7.221  10.005  -1.874
   20    H    CYS   4           H        CYS   4   2.987   6.493  -2.028
   21    HA   CYS   4           HA       CYS   4   1.898   5.122   0.189
   22   1HB   CYS   4          1HB       CYS   4   1.369   4.849  -2.144
   23   2HB   CYS   4          2HB       CYS   4   2.921   4.362  -2.549
   24    H    CYS   5           H        CYS   5   5.049   4.926  -1.156
   25    HA   CYS   5           HA       CYS   5   6.064   3.268   1.088
   26   1HB   CYS   5          1HB       CYS   5   7.212   3.053  -1.643
   27   2HB   CYS   5          2HB       CYS   5   7.628   2.139  -0.212
   28    H    LEU   6           H        LEU   6   7.438   4.468   1.873
   29    HA   LEU   6           HA       LEU   6   8.439   7.135   0.907
   30   1HB   LEU   6          2HB       LEU   6   6.675   7.114   2.741
   31   2HB   LEU   6          1HB       LEU   6   8.023   6.715   3.758
   32    HG   LEU   6           HG       LEU   6   7.907   9.004   3.873
   33   1HD1  LEU   6          1HD2      LEU   6   9.627   9.042   1.349
   34   2HD1  LEU   6          2HD2      LEU   6   9.593  10.275   2.634
   35   3HD1  LEU   6          3HD2      LEU   6  10.208   8.638   2.985
   36   1HD2  LEU   6          1HD1      LEU   6   7.043   9.375   0.981
   37   2HD2  LEU   6          2HD1      LEU   6   7.138  10.651   2.226
   38   3HD2  LEU   6          3HD1      LEU   6   5.963   9.332   2.405
   39    H    TYR   7           H        TYR   7  10.643   7.097   1.022
   40    HA   TYR   7           HA       TYR   7  12.635   6.045   0.607
   41   1HB   TYR   7          1HB       TYR   7  12.250   5.409   3.478
   42   2HB   TYR   7          2HB       TYR   7  13.713   5.413   2.571
   43    HD1  TYR   7           1HD      TYR   7  14.032   7.921   1.167
   44    HD2  TYR   7           2HD      TYR   7  12.040   7.310   4.941
   45    HE1  TYR   7           1HE      TYR   7  14.389  10.276   1.754
   46    HE2  TYR   7           2HE      TYR   7  12.418   9.668   5.507
   47    HH   TYR   7           HH       TYR   7  13.249  11.609   4.851
   48    H    GLY   8           H        GLY   8  10.914   4.339  -0.392
   49   1HA   GLY   8          1HA       GLY   8  10.878   2.134  -1.302
   50   2HA   GLY   8          2HA       GLY   8  12.161   1.581  -0.221
   51    H    SER   9           H        SER   9  10.168   2.781   1.932
   52    HA   SER   9           HA       SER   9   9.742  -0.080   2.618
   53   1HB   SER   9          2HB       SER   9  10.896   1.626   4.112
   54   2HB   SER   9          1HB       SER   9   9.380   2.197   4.676
   55    HG   SER   9           HG       SER   9   8.845   0.025   5.219
   56    H    CYS  10           H        CYS  10   7.410   0.808   4.658
   57    HA   CYS  10           HA       CYS  10   5.122   1.029   2.652
   58   1HB   CYS  10          2HB       CYS  10   5.335  -1.152   4.820
   59   2HB   CYS  10          1HB       CYS  10   3.822  -0.671   4.055
   60    H    ARG  11           H        ARG  11   3.716   2.477   3.180
   61    HA   ARG  11           HA       ARG  11   3.412   3.558   5.974
   62   1HB   ARG  11          1HB       ARG  11   5.241   4.705   4.823
   63   2HB   ARG  11          2HB       ARG  11   4.127   5.170   3.522
   64   1HG   ARG  11          2HG       ARG  11   2.763   6.493   5.020
   65   2HG   ARG  11          1HG       ARG  11   3.580   5.868   6.449
   66   1HD   ARG  11          1HD       ARG  11   4.846   7.823   4.397
   67   2HD   ARG  11          2HD       ARG  11   4.178   8.255   5.968
   68    HE   ARG  11           HE       ARG  11   6.267   6.136   6.182
   69   1HH1  ARG  11          2HH1      ARG  11   5.781   9.658   6.029
   70   2HH1  ARG  11          1HH1      ARG  11   7.423   9.938   6.800
   71   1HH2  ARG  11          1HH2      ARG  11   8.131   6.577   7.046
   72   2HH2  ARG  11          2HH2      ARG  11   8.662   8.309   7.336
   73    HA   HYP  12           HA       HYP  12  -0.655   2.779   4.033
   74   1HB   HYP  12          1HB       HYP  12  -2.397   3.190   6.163
   75   2HB   HYP  12          2HB       HYP  12  -1.318   1.776   5.966
   76   1HD   HYP  12          1HD       HYP  12   1.463   2.304   6.809
   77   2HD   HYP  12          2HD       HYP  12   1.606   4.030   7.256
   78    HOD  HYP  12           HOD      HYP  12  -0.349   1.494   7.985
   79    HG   HYP  12           HG       HYP  12  -0.715   4.296   7.648
   80    H    PHE  13           H        PHE  13  -1.549   3.968   2.653
   81    HA   PHE  13           HA       PHE  13  -2.898   6.651   3.232
   82   1HB   PHE  13          1HB       PHE  13  -0.952   6.098   0.861
   83   2HB   PHE  13          2HB       PHE  13  -2.038   7.401   0.816
   84    HD1  PHE  13           1HD      PHE  13  -1.975   9.211   2.621
   85    HD2  PHE  13           2HD      PHE  13   1.184   6.423   1.904
   86    HE1  PHE  13           1HE      PHE  13  -0.387  10.760   3.701
   87    HE2  PHE  13           2HE      PHE  13   2.809   7.985   2.977
   88    HZ   PHE  13           HZ       PHE  13   2.015  10.141   3.898
   89    HA   HYP  14           HA       HYP  14  -6.009   5.036   0.547
   90   1HB   HYP  14          1HB       HYP  14  -7.235   7.200  -0.328
   91   2HB   HYP  14          2HB       HYP  14  -7.150   6.651   1.359
   92   1HD   HYP  14          1HD       HYP  14  -3.780   8.287   1.789
   93   2HD   HYP  14          2HD       HYP  14  -5.137   7.663   2.786
   94    HOD  HYP  14           HOD      HYP  14  -7.297   9.520   1.040
   95    HG   HYP  14           HG       HYP  14  -5.309   8.810   0.119
   96    H    GLY  15           H        GLY  15  -5.801   4.215  -1.144
   97   1HA   GLY  15          1HA       GLY  15  -5.153   3.419  -3.314
   98   2HA   GLY  15          2HA       GLY  15  -4.512   5.007  -3.626
   99    H    CYS  16           H        CYS  16  -3.144   3.788  -0.875
  100    HA   CYS  16           HA       CYS  16  -0.528   3.184  -2.173
  101   1HB   CYS  16          1HB       CYS  16  -0.342   4.418  -0.264
  102   2HB   CYS  16          2HB       CYS  16  -1.353   3.334   0.757
  103    H    TYR  17           H        TYR  17  -2.682   1.409  -0.117
  104    HA   TYR  17           HA       TYR  17  -1.635  -1.345  -0.526
  105   1HB   TYR  17          2HB       TYR  17  -3.966  -2.125   0.087
  106   2HB   TYR  17          1HB       TYR  17  -2.976  -1.371   1.272
  107    HD1  TYR  17           1HD      TYR  17  -5.935  -0.540  -1.022
  108    HD2  TYR  17           2HD      TYR  17  -3.694   0.605   2.486
  109    HE1  TYR  17           1HE      TYR  17  -7.623   1.140  -0.459
  110    HE2  TYR  17           2HE      TYR  17  -5.392   2.266   3.021
  111    HH   TYR  17           HH       TYR  17  -7.287   3.235   2.397
  112    H    ASN  18           H        ASN  18  -3.534   0.613  -2.688
  113    HA   ASN  18           HA       ASN  18  -3.751  -1.597  -4.735
  114   1HB   ASN  18          1HB       ASN  18  -5.504   0.208  -4.678
  115   2HB   ASN  18          2HB       ASN  18  -4.271   1.325  -5.114
  116   1HD2  ASN  18          1HD2      ASN  18  -4.079   1.426  -7.509
  117   2HD2  ASN  18          2HD2      ASN  18  -5.093   0.312  -8.555
  118    H    ALA  19           H        ALA  19  -1.270   0.594  -3.779
  119    HA   ALA  19           HA       ALA  19  -0.093   0.970  -6.537
  120   1HB   ALA  19          1HB       ALA  19  -0.172   2.939  -4.865
  121   2HB   ALA  19          2HB       ALA  19   0.883   2.031  -3.763
  122   3HB   ALA  19          HB3       ALA  19   1.491   2.564  -5.332
  123    H    LEU  20           H        LEU  20   2.116   0.851  -6.839
  124    HA   LEU  20           HA       LEU  20   2.357  -1.856  -7.160
  125   1HB   LEU  20          2HB       LEU  20   2.993  -0.066  -8.782
  126   2HB   LEU  20          1HB       LEU  20   4.467   0.258  -7.912
  127    HG   LEU  20           HG       LEU  20   4.663  -0.982 -10.066
  128   1HD1  LEU  20          1HD2      LEU  20   5.869  -2.631  -7.772
  129   2HD1  LEU  20          2HD2      LEU  20   6.437  -2.534  -9.450
  130   3HD1  LEU  20          3HD2      LEU  20   6.524  -1.102  -8.404
  131   1HD2  LEU  20          1HD1      LEU  20   2.657  -2.464  -9.937
  132   2HD2  LEU  20          2HD1      LEU  20   4.132  -3.381 -10.307
  133   3HD2  LEU  20          3HD1      LEU  20   3.441  -3.438  -8.669
  134    H    CYS  21           H        CYS  21   4.688   0.112  -5.186
  135    HA   CYS  21           HA       CYS  21   6.465  -2.032  -4.406
  136   1HB   CYS  21          1HB       CYS  21   7.033  -0.442  -2.644
  137   2HB   CYS  21          2HB       CYS  21   7.299   0.146  -4.282
  138    H    CYS  22           H        CYS  22   3.649  -0.659  -2.638
  139    HA   CYS  22           HA       CYS  22   3.835  -3.010  -0.670
  140   1HB   CYS  22          2HB       CYS  22   2.755  -0.185  -0.196
  141   2HB   CYS  22          1HB       CYS  22   2.595  -1.562   0.930
  142    H    ARG  23           H        ARG  23   3.028  -3.870  -2.671
  143    HA   ARG  23           HA       ARG  23   0.343  -3.481  -3.525
  144   1HB   ARG  23          1HB       ARG  23   0.704  -5.349  -5.025
  145   2HB   ARG  23          2HB       ARG  23   2.025  -4.222  -5.041
  146   1HG   ARG  23          1HG       ARG  23   3.422  -5.833  -3.635
  147   2HG   ARG  23          2HG       ARG  23   2.075  -6.942  -3.582
  148   1HD   ARG  23          1HD       ARG  23   3.434  -7.841  -5.315
  149   2HD   ARG  23          2HD       ARG  23   2.133  -7.051  -6.198
  150    HE   ARG  23           HE       ARG  23   4.381  -5.166  -5.863
  151   1HH1  ARG  23          2HH1      ARG  23   3.515  -8.078  -7.712
  152   2HH1  ARG  23          1HH1      ARG  23   4.736  -7.635  -9.008
  153   1HH2  ARG  23          2HH2      ARG  23   5.739  -4.762  -7.396
  154   2HH2  ARG  23          1HH2      ARG  23   5.909  -5.884  -8.839
  155    H    LYS  24           H        LYS  24  -0.258  -3.626  -1.193
  156    HA   LYS  24           HA       LYS  24  -1.203  -6.305  -0.190
  157   1HB   LYS  24          1HB       LYS  24  -0.278  -4.235   1.175
  158   2HB   LYS  24          2HB       LYS  24  -1.873  -3.587   1.078
  159   1HG   LYS  24          2HG       LYS  24  -2.734  -5.737   2.223
  160   2HG   LYS  24          1HG       LYS  24  -1.068  -6.308   2.314
  161   1HD   LYS  24          1HD       LYS  24  -0.451  -4.280   3.704
  162   2HD   LYS  24          2HD       LYS  24  -2.117  -3.699   3.598
  163   1HE   LYS  24          2HE       LYS  24  -2.926  -5.795   4.792
  164   2HE   LYS  24          1HE       LYS  24  -1.257  -6.377   4.899
  165   1HZ   LYS  24          HZ1       LYS  24  -0.713  -4.398   6.221
  166   2HZ   LYS  24          HZ2       LYS  24  -1.935  -5.257   6.928
  167   3HZ   LYS  24          HZ3       LYS  24  -2.270  -3.854   6.122
  168   1HN   NH2  25          1HN       NH2  25  -3.618  -4.606   0.820
  169   2HN   NH2  25          2HN       NH2  25  -4.724  -4.450  -0.654
  Start of MODEL   14
    1   1H    GLY   1          1H        GLY   1  -0.147  13.400  -5.183
    2   2H    GLY   1          2H        GLY   1   0.617  14.758  -4.635
    3   3H    GLY   1          3H        GLY   1  -1.033  14.705  -4.693
    4   1HA   GLY   1          1HA       GLY   1  -0.313  14.438  -2.389
    5   2HA   GLY   1          2HA       GLY   1  -1.143  13.018  -2.955
    6    HA   HYP   2           HA       HYP   2   3.116  12.437  -1.042
    7   1HB   HYP   2          1HB       HYP   2   2.456  10.839   1.208
    8   2HB   HYP   2          2HB       HYP   2   2.664  12.589   1.212
    9   1HD   HYP   2          1HD       HYP   2  -0.954  12.445  -0.724
   10   2HD   HYP   2          2HD       HYP   2  -0.038  13.812  -0.197
   11    HOD  HYP   2           HOD      HYP   2  -0.652  12.939   2.119
   12    HG   HYP   2           HG       HYP   2  -0.016  11.069   1.038
   13    HA   HYP   3           HA       HYP   3   3.803   8.114  -2.690
   14   1HB   HYP   3          1HB       HYP   3   6.135   8.088  -0.783
   15   2HB   HYP   3          2HB       HYP   3   6.144   7.745  -2.474
   16   1HD   HYP   3          1HD       HYP   3   4.899  11.669  -1.771
   17   2HD   HYP   3          2HD       HYP   3   5.326  10.817  -0.277
   18    HOD  HYP   3           HOD      HYP   3   5.164   9.890  -3.723
   19    HG   HYP   3           HG       HYP   3   7.136  10.105  -1.689
   20    H    CYS   4           H        CYS   4   2.922   6.533  -2.215
   21    HA   CYS   4           HA       CYS   4   1.796   5.180  -0.005
   22   1HB   CYS   4          1HB       CYS   4   1.325   4.859  -2.328
   23   2HB   CYS   4          2HB       CYS   4   2.890   4.405  -2.711
   24    H    CYS   5           H        CYS   5   4.994   4.949  -1.290
   25    HA   CYS   5           HA       CYS   5   5.910   3.260   0.959
   26   1HB   CYS   5          1HB       CYS   5   7.123   3.024  -1.743
   27   2HB   CYS   5          2HB       CYS   5   7.407   2.031  -0.319
   28    H    LEU   6           H        LEU   6   7.422   4.359   1.762
   29    HA   LEU   6           HA       LEU   6   8.258   7.130   0.856
   30   1HB   LEU   6          2HB       LEU   6   6.609   6.943   2.723
   31   2HB   LEU   6          1HB       LEU   6   7.986   6.528   3.697
   32    HG   LEU   6           HG       LEU   6   7.778   8.802   3.952
   33   1HD1  LEU   6          1HD2      LEU   6   9.523   9.013   1.447
   34   2HD1  LEU   6          2HD2      LEU   6   9.435  10.195   2.775
   35   3HD1  LEU   6          3HD2      LEU   6  10.094   8.566   3.075
   36   1HD2  LEU   6          1HD1      LEU   6   6.891   9.292   1.090
   37   2HD2  LEU   6          2HD1      LEU   6   5.829   9.136   2.520
   38   3HD2  LEU   6          3HD1      LEU   6   6.954  10.506   2.401
   39    H    TYR   7           H        TYR   7  10.421   7.102   0.599
   40    HA   TYR   7           HA       TYR   7  12.415   6.092   0.050
   41   1HB   TYR   7          1HB       TYR   7  12.423   5.779   2.992
   42   2HB   TYR   7          2HB       TYR   7  13.762   5.796   1.907
   43    HD1  TYR   7           1HD      TYR   7  13.293   8.237   0.157
   44    HD2  TYR   7           2HD      TYR   7  12.586   7.732   4.379
   45    HE1  TYR   7           1HE      TYR   7  13.532  10.652   0.500
   46    HE2  TYR   7           2HE      TYR   7  12.838  10.154   4.696
   47    HH   TYR   7           HH       TYR   7  13.498  12.320   1.951
   48    H    GLY   8           H        GLY   8  10.792   4.227  -0.606
   49   1HA   GLY   8          1HA       GLY   8  10.731   1.895  -1.176
   50   2HA   GLY   8          2HA       GLY   8  11.963   1.478   0.018
   51    H    SER   9           H        SER   9  10.322   2.993   2.014
   52    HA   SER   9           HA       SER   9   9.429   0.341   2.979
   53   1HB   SER   9          2HB       SER   9  10.992   1.797   4.243
   54   2HB   SER   9          1HB       SER   9   9.716   2.812   4.832
   55    HG   SER   9           HG       SER   9   8.717   0.902   5.646
   56    H    CYS  10           H        CYS  10   7.650   0.122   4.422
   57    HA   CYS  10           HA       CYS  10   5.217   0.764   2.714
   58   1HB   CYS  10          2HB       CYS  10   5.597  -1.488   4.762
   59   2HB   CYS  10          1HB       CYS  10   4.042  -1.096   4.015
   60    H    ARG  11           H        ARG  11   3.811   2.172   3.242
   61    HA   ARG  11           HA       ARG  11   3.493   3.199   6.060
   62   1HB   ARG  11          1HB       ARG  11   5.348   4.298   4.849
   63   2HB   ARG  11          2HB       ARG  11   4.155   4.885   3.656
   64   1HG   ARG  11          1HG       ARG  11   2.938   6.062   5.441
   65   2HG   ARG  11          2HG       ARG  11   3.956   5.328   6.684
   66   1HD   ARG  11          1HD       ARG  11   4.954   7.449   4.646
   67   2HD   ARG  11          2HD       ARG  11   4.466   7.772   6.308
   68    HE   ARG  11           HE       ARG  11   6.557   5.642   6.085
   69   1HH1  ARG  11          2HH2      ARG  11   6.047   9.148   6.422
   70   2HH1  ARG  11          1HH2      ARG  11   7.754   9.358   7.059
   71   1HH2  ARG  11          1HH1      ARG  11   8.497   6.004   6.815
   72   2HH2  ARG  11          2HH1      ARG  11   9.047   7.695   7.266
   73    HA   HYP  12           HA       HYP  12  -0.600   2.525   4.115
   74   1HB   HYP  12          1HB       HYP  12  -2.329   2.946   6.254
   75   2HB   HYP  12          2HB       HYP  12  -1.279   1.513   6.039
   76   1HD   HYP  12          1HD       HYP  12   1.525   1.986   6.882
   77   2HD   HYP  12          2HD       HYP  12   1.693   3.704   7.344
   78    HOD  HYP  12           HOD      HYP  12   0.071   2.315   9.116
   79    HG   HYP  12           HG       HYP  12  -0.624   3.998   7.752
   80    H    PHE  13           H        PHE  13  -1.496   3.752   2.752
   81    HA   PHE  13           HA       PHE  13  -2.707   6.490   3.361
   82   1HB   PHE  13          1HB       PHE  13  -0.741   5.898   1.020
   83   2HB   PHE  13          2HB       PHE  13  -1.757   7.258   0.986
   84    HD1  PHE  13           1HD      PHE  13  -1.644   9.001   2.865
   85    HD2  PHE  13           2HD      PHE  13   1.391   6.102   2.065
   86    HE1  PHE  13           1HE      PHE  13   0.014  10.457   3.975
   87    HE2  PHE  13           2HE      PHE  13   3.084   7.559   3.177
   88    HZ   PHE  13           HZ       PHE  13   2.391   9.735   4.140
   89    HA   HYP  14           HA       HYP  14  -5.846   5.111   0.586
   90   1HB   HYP  14          1HB       HYP  14  -6.966   7.363  -0.216
   91   2HB   HYP  14          2HB       HYP  14  -6.920   6.753   1.450
   92   1HD   HYP  14          1HD       HYP  14  -3.474   8.209   1.949
   93   2HD   HYP  14          2HD       HYP  14  -4.866   7.620   2.919
   94    HOD  HYP  14           HOD      HYP  14  -6.673   8.780   2.556
   95    HG   HYP  14           HG       HYP  14  -4.968   8.863   0.293
   96    H    GLY  15           H        GLY  15  -5.685   4.354  -1.138
   97   1HA   GLY  15          1HA       GLY  15  -5.090   3.609  -3.344
   98   2HA   GLY  15          2HA       GLY  15  -4.396   5.183  -3.602
   99    H    CYS  16           H        CYS  16  -3.068   3.758  -0.916
  100    HA   CYS  16           HA       CYS  16  -0.477   3.178  -2.256
  101   1HB   CYS  16          1HB       CYS  16  -0.310   4.332  -0.306
  102   2HB   CYS  16          2HB       CYS  16  -1.279   3.179   0.682
  103    H    TYR  17           H        TYR  17  -2.641   1.331  -0.284
  104    HA   TYR  17           HA       TYR  17  -1.679  -1.426  -0.891
  105   1HB   TYR  17          1HB       TYR  17  -3.996  -2.181  -0.208
  106   2HB   TYR  17          2HB       TYR  17  -2.942  -1.503   0.969
  107    HD1  TYR  17           1HD      TYR  17  -3.614   0.358   2.348
  108    HD2  TYR  17           2HD      TYR  17  -5.895  -0.395  -1.239
  109    HE1  TYR  17           1HE      TYR  17  -5.186   2.107   2.974
  110    HE2  TYR  17           2HE      TYR  17  -7.457   1.370  -0.585
  111    HH   TYR  17           HH       TYR  17  -7.000   3.250   2.402
  112    H    ASN  18           H        ASN  18  -3.325   0.739  -2.971
  113    HA   ASN  18           HA       ASN  18  -3.680  -1.450  -5.052
  114   1HB   ASN  18          1HB       ASN  18  -5.484   0.252  -4.950
  115   2HB   ASN  18          2HB       ASN  18  -4.324   1.463  -5.307
  116   1HD2  ASN  18          1HD2      ASN  18  -3.914   1.581  -7.688
  117   2HD2  ASN  18          2HD2      ASN  18  -4.947   0.567  -8.819
  118    H    ALA  19           H        ALA  19  -1.289   0.792  -4.045
  119    HA   ALA  19           HA       ALA  19   0.061   1.020  -6.762
  120   1HB   ALA  19          1HB       ALA  19   1.546   2.740  -5.594
  121   2HB   ALA  19          2HB       ALA  19  -0.160   3.167  -5.361
  122   3HB   ALA  19          HB3       ALA  19   0.758   2.400  -4.046
  123    H    LEU  20           H        LEU  20   2.134   0.533  -7.057
  124    HA   LEU  20           HA       LEU  20   2.100  -2.135  -6.685
  125   1HB   LEU  20          2HB       LEU  20   2.956  -0.870  -8.678
  126   2HB   LEU  20          1HB       LEU  20   4.503  -0.676  -7.899
  127    HG   LEU  20           HG       LEU  20   4.373  -2.418  -9.675
  128   1HD1  LEU  20          1HD1      LEU  20   5.727  -4.144  -8.666
  129   2HD1  LEU  20          2HD1      LEU  20   6.141  -2.606  -7.864
  130   3HD1  LEU  20          3HD1      LEU  20   5.114  -3.807  -7.039
  131   1HD2  LEU  20          1HD2      LEU  20   2.069  -3.310  -9.236
  132   2HD2  LEU  20          2HD2      LEU  20   2.659  -4.119  -7.761
  133   3HD2  LEU  20          3HD2      LEU  20   3.282  -4.610  -9.353
  134    H    CYS  21           H        CYS  21   4.761  -0.190  -5.257
  135    HA   CYS  21           HA       CYS  21   6.375  -2.288  -4.219
  136   1HB   CYS  21          1HB       CYS  21   7.055  -0.478  -2.648
  137   2HB   CYS  21          2HB       CYS  21   7.336  -0.157  -4.346
  138    H    CYS  22           H        CYS  22   3.468  -1.011  -2.784
  139    HA   CYS  22           HA       CYS  22   3.661  -2.881  -0.468
  140   1HB   CYS  22          1HB       CYS  22   3.134   0.114  -0.021
  141   2HB   CYS  22          2HB       CYS  22   2.884  -1.167   1.185
  142    H    ARG  23           H        ARG  23   2.429  -2.959  -2.907
  143    HA   ARG  23           HA       ARG  23  -0.382  -2.617  -2.663
  144   1HB   ARG  23          2HB       ARG  23   0.723  -3.090  -4.840
  145   2HB   ARG  23          1HB       ARG  23   1.076  -4.735  -4.351
  146   1HG   ARG  23          2HG       ARG  23  -1.434  -5.172  -4.190
  147   2HG   ARG  23          1HG       ARG  23  -1.755  -3.544  -4.739
  148   1HD   ARG  23          2HD       ARG  23  -0.015  -5.493  -6.428
  149   2HD   ARG  23          1HD       ARG  23  -1.769  -5.614  -6.453
  150    HE   ARG  23           HE       ARG  23  -1.400  -2.887  -7.019
  151   1HH1  ARG  23          1HH2      ARG  23  -0.305  -5.905  -8.538
  152   2HH1  ARG  23          2HH2      ARG  23  -0.312  -5.090 -10.181
  153   1HH2  ARG  23          2HH1      ARG  23  -1.313  -2.047  -8.915
  154   2HH2  ARG  23          1HH1      ARG  23  -0.846  -3.050 -10.378
  155    H    LYS  24           H        LYS  24   1.337  -5.745  -2.188
  156    HA   LYS  24           HA       LYS  24  -1.023  -6.833  -0.585
  157   1HB   LYS  24          1HB       LYS  24   1.268  -8.194  -2.173
  158   2HB   LYS  24          2HB       LYS  24   0.164  -9.047  -1.143
  159   1HG   LYS  24          1HG       LYS  24  -0.752  -7.423  -3.602
  160   2HG   LYS  24          2HG       LYS  24  -0.468  -9.149  -3.583
  161   1HD   LYS  24          2HD       LYS  24  -2.272  -9.461  -1.858
  162   2HD   LYS  24          1HD       LYS  24  -2.616  -7.739  -1.869
  163   1HE   LYS  24          1HE       LYS  24  -2.866  -9.578  -4.347
  164   2HE   LYS  24          2HE       LYS  24  -4.194  -9.162  -3.267
  165   1HZ   LYS  24          HZ1       LYS  24  -2.651  -7.188  -4.876
  166   2HZ   LYS  24          HZ2       LYS  24  -3.899  -6.818  -3.858
  167   3HZ   LYS  24          HZ3       LYS  24  -4.176  -7.733  -5.205
  168   1HN   NH2  25          1HN       NH2  25   1.137  -8.785   0.492
  169   2HN   NH2  25          2HN       NH2  25   1.604  -7.866   2.065
  Start of MODEL   15
    1   1H    GLY   1          1H        GLY   1  -0.798  11.265  -5.271
    2   2H    GLY   1          2H        GLY   1  -1.806  12.572  -5.343
    3   3H    GLY   1          3H        GLY   1  -0.169  12.793  -5.287
    4   1HA   GLY   1          1HA       GLY   1  -1.165  13.286  -3.100
    5   2HA   GLY   1          2HA       GLY   1  -1.871  11.689  -3.089
    6    HA   HYP   2           HA       HYP   2   2.229  12.188  -0.915
    7   1HB   HYP   2          1HB       HYP   2   1.475  11.286   1.647
    8   2HB   HYP   2          2HB       HYP   2   1.606  12.972   1.107
    9   1HD   HYP   2          1HD       HYP   2  -1.595  12.826  -0.920
   10   2HD   HYP   2          2HD       HYP   2  -1.624  11.103  -0.700
   11    HOD  HYP   2           HOD      HYP   2  -0.357  13.730   2.126
   12    HG   HYP   2           HG       HYP   2  -0.997  11.636   1.678
   13    HA   HYP   3           HA       HYP   3   3.658   8.139  -1.867
   14   1HB   HYP   3          1HB       HYP   3   5.623   8.386   0.420
   15   2HB   HYP   3          2HB       HYP   3   5.999   8.039  -1.255
   16   1HD   HYP   3          1HD       HYP   3   4.359  11.161   0.624
   17   2HD   HYP   3          2HD       HYP   3   4.206  11.570  -1.058
   18    HOD  HYP   3           HOD      HYP   3   6.709   9.873  -2.408
   19    HG   HYP   3           HG       HYP   3   6.468  10.493  -0.216
   20    H    CYS   4           H        CYS   4   2.985   6.422  -1.625
   21    HA   CYS   4           HA       CYS   4   1.834   4.857   0.504
   22   1HB   CYS   4          1HB       CYS   4   1.300   4.796  -1.880
   23   2HB   CYS   4          2HB       CYS   4   2.860   4.343  -2.290
   24    H    CYS   5           H        CYS   5   5.005   4.961  -0.909
   25    HA   CYS   5           HA       CYS   5   6.126   3.211   1.147
   26   1HB   CYS   5          1HB       CYS   5   7.146   3.015  -1.637
   27   2HB   CYS   5          2HB       CYS   5   7.570   2.035  -0.252
   28    H    LEU   6           H        LEU   6   7.692   4.361   1.844
   29    HA   LEU   6           HA       LEU   6   8.721   6.881   0.488
   30   1HB   LEU   6          2HB       LEU   6   6.910   7.317   1.937
   31   2HB   LEU   6          1HB       LEU   6   7.840   6.772   3.299
   32    HG   LEU   6           HG       LEU   6   7.666   9.258   2.712
   33   1HD1  LEU   6          1HD1      LEU   6   9.764   9.799   3.934
   34   2HD1  LEU   6          2HD1      LEU   6  10.284   8.101   3.705
   35   3HD1  LEU   6          3HD1      LEU   6   8.835   8.473   4.671
   36   1HD2  LEU   6          1HD2      LEU   6   9.414  10.394   1.499
   37   2HD2  LEU   6          2HD2      LEU   6   8.523   9.293   0.421
   38   3HD2  LEU   6          3HD2      LEU   6  10.143   8.834   1.023
   39    H    TYR   7           H        TYR   7  10.896   6.744   0.460
   40    HA   TYR   7           HA       TYR   7  12.830   5.528   0.187
   41   1HB   TYR   7          1HB       TYR   7  12.601   5.450   3.131
   42   2HB   TYR   7          2HB       TYR   7  13.995   5.341   2.138
   43    HD1  TYR   7           1HD      TYR   7  13.565   7.756   0.204
   44    HD2  TYR   7           2HD      TYR   7  12.736   7.476   4.427
   45    HE1  TYR   7           1HE      TYR   7  13.807  10.179   0.428
   46    HE2  TYR   7           2HE      TYR   7  12.991   9.902   4.620
   47    HH   TYR   7           HH       TYR   7  13.727  11.920   1.785
   48    H    GLY   8           H        GLY   8  11.030   3.798  -0.420
   49   1HA   GLY   8          1HA       GLY   8  10.962   1.487  -1.017
   50   2HA   GLY   8          2HA       GLY   8  12.030   1.013   0.316
   51    H    SER   9           H        SER   9  10.335   2.701   2.126
   52    HA   SER   9           HA       SER   9   9.048   0.264   2.973
   53   1HB   SER   9          1HB       SER   9   9.311   1.624   5.143
   54   2HB   SER   9          2HB       SER   9  10.715   1.071   4.282
   55    HG   SER   9           HG       SER   9  10.902   3.224   3.527
   56    H    CYS  10           H        CYS  10   7.205  -0.013   3.936
   57    HA   CYS  10           HA       CYS  10   4.941   1.290   2.561
   58   1HB   CYS  10          1HB       CYS  10   4.696  -0.784   4.750
   59   2HB   CYS  10          2HB       CYS  10   3.487  -0.502   3.550
   60    H    ARG  11           H        ARG  11   3.651   2.715   3.274
   61    HA   ARG  11           HA       ARG  11   3.593   3.896   6.060
   62   1HB   ARG  11          1HB       ARG  11   5.585   4.554   4.653
   63   2HB   ARG  11          2HB       ARG  11   4.376   5.398   3.637
   64   1HG   ARG  11          2HG       ARG  11   3.657   6.483   5.983
   65   2HG   ARG  11          1HG       ARG  11   5.079   5.669   6.633
   66   1HD   ARG  11          2HD       ARG  11   5.750   7.957   6.352
   67   2HD   ARG  11          1HD       ARG  11   6.574   7.076   5.058
   68    HE   ARG  11           HE       ARG  11   4.033   7.707   4.025
   69   1HH1  ARG  11          1HH2      ARG  11   6.610   9.715   5.446
   70   2HH1  ARG  11          2HH2      ARG  11   6.117  11.173   4.447
   71   1HH2  ARG  11          2HH1      ARG  11   3.609   9.489   2.806
   72   2HH2  ARG  11          1HH1      ARG  11   4.538  11.051   3.059
   73    HA   HYP  12           HA       HYP  12  -0.274   3.038   4.037
   74   1HB   HYP  12          1HB       HYP  12  -2.157   3.212   6.117
   75   2HB   HYP  12          2HB       HYP  12  -0.950   1.912   5.899
   76   1HD   HYP  12          1HD       HYP  12   1.732   4.352   7.378
   77   2HD   HYP  12          2HD       HYP  12   1.730   2.659   6.810
   78    HOD  HYP  12           HOD      HYP  12   0.200   2.777   9.040
   79    HG   HYP  12           HG       HYP  12  -0.636   4.410   7.693
   80    H    PHE  13           H        PHE  13  -1.618   3.943   2.757
   81    HA   PHE  13           HA       PHE  13  -3.128   6.529   3.293
   82   1HB   PHE  13          1HB       PHE  13  -1.147   6.132   0.909
   83   2HB   PHE  13          2HB       PHE  13  -2.335   7.353   0.868
   84    HD1  PHE  13           1HD      PHE  13  -2.447   9.098   2.791
   85    HD2  PHE  13           2HD      PHE  13   0.930   6.601   2.007
   86    HE1  PHE  13           1HE      PHE  13  -1.053  10.594   4.162
   87    HE2  PHE  13           2HE      PHE  13   2.339   8.063   3.432
   88    HZ   PHE  13           HZ       PHE  13   1.359  10.074   4.505
   89    HA   HYP  14           HA       HYP  14  -6.143   4.734   0.611
   90   1HB   HYP  14          1HB       HYP  14  -7.499   6.824  -0.245
   91   2HB   HYP  14          2HB       HYP  14  -7.381   6.268   1.437
   92   1HD   HYP  14          1HD       HYP  14  -4.122   8.107   1.869
   93   2HD   HYP  14          2HD       HYP  14  -5.431   7.399   2.873
   94    HOD  HYP  14           HOD      HYP  14  -7.709   9.122   1.142
   95    HG   HYP  14           HG       HYP  14  -5.679   8.548   0.216
   96    H    GLY  15           H        GLY  15  -5.892   3.948  -1.095
   97   1HA   GLY  15          1HA       GLY  15  -5.166   3.211  -3.264
   98   2HA   GLY  15          2HA       GLY  15  -4.617   4.837  -3.546
   99    H    CYS  16           H        CYS  16  -3.238   3.569  -0.789
  100    HA   CYS  16           HA       CYS  16  -0.566   3.146  -2.043
  101   1HB   CYS  16          1HB       CYS  16  -0.463   4.248  -0.044
  102   2HB   CYS  16          2HB       CYS  16  -1.478   3.073   0.866
  103    H    TYR  17           H        TYR  17  -2.696   1.162  -0.161
  104    HA   TYR  17           HA       TYR  17  -1.594  -1.534  -0.767
  105   1HB   TYR  17          2HB       TYR  17  -3.994  -2.355  -0.346
  106   2HB   TYR  17          1HB       TYR  17  -2.982  -1.848   0.944
  107    HD1  TYR  17           1HD      TYR  17  -3.630  -0.084   2.467
  108    HD2  TYR  17           2HD      TYR  17  -5.849  -0.482  -1.215
  109    HE1  TYR  17           1HE      TYR  17  -5.209   1.599   3.232
  110    HE2  TYR  17           2HE      TYR  17  -7.421   1.214  -0.420
  111    HH   TYR  17           HH       TYR  17  -7.012   2.801   2.739
  112    H    ASN  18           H        ASN  18  -3.558   0.541  -2.760
  113    HA   ASN  18           HA       ASN  18  -3.709  -1.464  -5.006
  114   1HB   ASN  18          1HB       ASN  18  -5.494   0.274  -4.799
  115   2HB   ASN  18          2HB       ASN  18  -4.297   1.471  -5.094
  116   1HD2  ASN  18          1HD2      ASN  18  -4.010   1.790  -7.465
  117   2HD2  ASN  18          2HD2      ASN  18  -5.018   0.804  -8.639
  118    H    ALA  19           H        ALA  19  -1.269   0.681  -3.858
  119    HA   ALA  19           HA       ALA  19  -0.026   1.217  -6.562
  120   1HB   ALA  19          1HB       ALA  19   1.543   2.722  -5.234
  121   2HB   ALA  19          2HB       ALA  19  -0.129   3.093  -4.795
  122   3HB   ALA  19          HB3       ALA  19   0.884   2.118  -3.711
  123    H    LEU  20           H        LEU  20   2.180   1.063  -6.832
  124    HA   LEU  20           HA       LEU  20   2.347  -1.643  -7.261
  125   1HB   LEU  20          1HB       LEU  20   2.997   0.205  -8.824
  126   2HB   LEU  20          2HB       LEU  20   4.497   0.443  -7.972
  127    HG   LEU  20           HG       LEU  20   4.619  -0.711 -10.173
  128   1HD1  LEU  20          1HD2      LEU  20   6.493  -0.988  -8.544
  129   2HD1  LEU  20          2HD2      LEU  20   6.332  -2.364  -9.653
  130   3HD1  LEU  20          3HD2      LEU  20   5.779  -2.515  -7.974
  131   1HD2  LEU  20          1HD1      LEU  20   3.305  -3.172  -8.870
  132   2HD2  LEU  20          2HD1      LEU  20   2.553  -2.109 -10.085
  133   3HD2  LEU  20          3HD1      LEU  20   3.981  -3.074 -10.513
  134    H    CYS  21           H        CYS  21   4.742   0.215  -5.276
  135    HA   CYS  21           HA       CYS  21   6.517  -1.948  -4.580
  136   1HB   CYS  21          1HB       CYS  21   7.043  -0.430  -2.727
  137   2HB   CYS  21          2HB       CYS  21   7.342   0.219  -4.335
  138    H    CYS  22           H        CYS  22   3.742  -0.637  -2.699
  139    HA   CYS  22           HA       CYS  22   3.969  -3.057  -0.824
  140   1HB   CYS  22          2HB       CYS  22   3.010  -0.207  -0.210
  141   2HB   CYS  22          1HB       CYS  22   2.819  -1.609   0.868
  142    H    ARG  23           H        ARG  23   3.000  -3.801  -2.826
  143    HA   ARG  23           HA       ARG  23   0.286  -3.248  -3.482
  144   1HB   ARG  23          1HB       ARG  23   0.487  -4.999  -5.136
  145   2HB   ARG  23          2HB       ARG  23   1.880  -3.962  -5.130
  146   1HG   ARG  23          2HG       ARG  23   3.218  -5.760  -3.904
  147   2HG   ARG  23          1HG       ARG  23   1.802  -6.779  -3.867
  148   1HD   ARG  23          1HD       ARG  23   2.997  -7.651  -5.714
  149   2HD   ARG  23          2HD       ARG  23   1.749  -6.686  -6.492
  150    HE   ARG  23           HE       ARG  23   4.157  -5.029  -6.108
  151   1HH1  ARG  23          2HH1      ARG  23   3.020  -7.744  -8.104
  152   2HH1  ARG  23          1HH1      ARG  23   4.261  -7.334  -9.392
  153   1HH2  ARG  23          1HH2      ARG  23   5.529  -4.657  -7.637
  154   2HH2  ARG  23          2HH2      ARG  23   5.584  -5.704  -9.142
  155    H    LYS  24           H        LYS  24  -0.098  -3.593  -1.045
  156    HA   LYS  24           HA       LYS  24  -0.997  -6.337  -0.235
  157   1HB   LYS  24          2HB       LYS  24   0.257  -4.573   1.208
  158   2HB   LYS  24          1HB       LYS  24  -1.272  -3.717   1.304
  159   1HG   LYS  24          2HG       LYS  24  -1.032  -5.013   3.344
  160   2HG   LYS  24          1HG       LYS  24  -2.266  -5.868   2.441
  161   1HD   LYS  24          1HD       LYS  24  -0.534  -7.531   1.648
  162   2HD   LYS  24          2HD       LYS  24   0.726  -6.669   2.514
  163   1HE   LYS  24          2HE       LYS  24  -1.752  -7.971   3.850
  164   2HE   LYS  24          1HE       LYS  24  -0.186  -8.757   3.668
  165   1HZ   LYS  24          HZ1       LYS  24   0.816  -7.012   5.039
  166   2HZ   LYS  24          HZ2       LYS  24  -0.643  -6.260   5.222
  167   3HZ   LYS  24          HZ3       LYS  24  -0.407  -7.769   5.851
  168   1HN   NH2  25          1HN       NH2  25  -2.813  -5.930  -2.293
  169   2HN   NH2  25          2HN       NH2  25  -4.443  -5.444  -1.530
  Start of MODEL   16
    1   1H    GLY   1          1H        GLY   1  -2.921  13.332  -2.570
    2   2H    GLY   1          2H        GLY   1  -2.211  11.877  -2.899
    3   3H    GLY   1          3H        GLY   1  -1.472  13.280  -3.362
    4   1HA   GLY   1          1HA       GLY   1  -1.137  13.939  -1.020
    5   2HA   GLY   1          2HA       GLY   1  -1.953  12.480  -0.520
    6    HA   HYP   2           HA       HYP   2   2.722  12.422  -0.533
    7   1HB   HYP   2          1HB       HYP   2   2.501  10.952   2.053
    8   2HB   HYP   2          2HB       HYP   2   3.453  12.416   1.721
    9   1HD   HYP   2          1HD       HYP   2  -0.438  13.580   1.084
   10   2HD   HYP   2          2HD       HYP   2  -0.607  11.899   1.522
   11    HOD  HYP   2           HOD      HYP   2   2.579  14.323   2.499
   12    HG   HYP   2           HG       HYP   2   1.151  12.747   3.209
   13    HA   HYP   3           HA       HYP   3   3.675   8.196  -2.094
   14   1HB   HYP   3          1HB       HYP   3   6.023   8.249  -0.172
   15   2HB   HYP   3          2HB       HYP   3   6.032   7.850  -1.871
   16   1HD   HYP   3          1HD       HYP   3   4.540  11.663  -1.369
   17   2HD   HYP   3          2HD       HYP   3   5.143  11.045   0.180
   18    HOD  HYP   3           HOD      HYP   3   6.532   9.586  -3.296
   19    HG   HYP   3           HG       HYP   3   6.920  10.260  -1.149
   20    H    CYS   4           H        CYS   4   2.986   6.493  -1.781
   21    HA   CYS   4           HA       CYS   4   1.878   4.993   0.383
   22   1HB   CYS   4          1HB       CYS   4   1.304   4.865  -1.965
   23   2HB   CYS   4          2HB       CYS   4   2.846   4.419  -2.423
   24    H    CYS   5           H        CYS   5   5.005   4.915  -1.086
   25    HA   CYS   5           HA       CYS   5   6.154   3.347   1.139
   26   1HB   CYS   5          1HB       CYS   5   7.245   3.045  -1.610
   27   2HB   CYS   5          2HB       CYS   5   7.655   2.168  -0.151
   28    H    LEU   6           H        LEU   6   7.550   4.676   1.766
   29    HA   LEU   6           HA       LEU   6   8.787   6.970   0.352
   30   1HB   LEU   6          1HB       LEU   6   6.914   7.604   2.096
   31   2HB   LEU   6          2HB       LEU   6   8.162   7.179   3.205
   32    HG   LEU   6           HG       LEU   6   8.079   9.522   1.448
   33   1HD1  LEU   6          1HD1      LEU   6   8.515   9.300   4.453
   34   2HD1  LEU   6          2HD1      LEU   6   8.345  10.812   3.524
   35   3HD1  LEU   6          3HD1      LEU   6   6.962   9.693   3.655
   36   1HD2  LEU   6          1HD2      LEU   6  10.528   8.622   3.021
   37   2HD2  LEU   6          2HD2      LEU   6  10.436   8.774   1.242
   38   3HD2  LEU   6          3HD2      LEU   6  10.356  10.230   2.268
   39    H    TYR   7           H        TYR   7  10.952   6.960   0.846
   40    HA   TYR   7           HA       TYR   7  12.872   5.789   0.709
   41   1HB   TYR   7          1HB       TYR   7  12.140   5.148   3.500
   42   2HB   TYR   7          2HB       TYR   7  13.697   5.134   2.765
   43    HD1  TYR   7           1HD      TYR   7  12.047   6.911   5.125
   44    HD2  TYR   7           2HD      TYR   7  13.892   7.809   1.334
   45    HE1  TYR   7           1HE      TYR   7  12.475   9.211   5.861
   46    HE2  TYR   7           2HE      TYR   7  14.298  10.103   2.091
   47    HH   TYR   7           HH       TYR   7  13.291  11.194   5.325
   48    H    GLY   8           H        GLY   8  11.061   4.175  -0.418
   49   1HA   GLY   8          1HA       GLY   8  10.877   1.972  -1.305
   50   2HA   GLY   8          2HA       GLY   8  12.154   1.368  -0.242
   51    H    SER   9           H        SER   9  10.094   2.717   1.858
   52    HA   SER   9           HA       SER   9   9.740  -0.113   2.695
   53   1HB   SER   9          2HB       SER   9  10.878   1.710   4.071
   54   2HB   SER   9          1HB       SER   9   9.355   2.288   4.607
   55    HG   SER   9           HG       SER   9   8.862   0.147   5.295
   56    H    CYS  10           H        CYS  10   7.414   0.933   4.680
   57    HA   CYS  10           HA       CYS  10   5.209   1.311   2.659
   58   1HB   CYS  10          2HB       CYS  10   5.188  -1.216   3.296
   59   2HB   CYS  10          1HB       CYS  10   4.652  -0.666   4.907
   60    H    ARG  11           H        ARG  11   3.704   2.557   3.304
   61    HA   ARG  11           HA       ARG  11   3.522   3.853   6.026
   62   1HB   ARG  11          1HB       ARG  11   5.404   4.778   4.783
   63   2HB   ARG  11          2HB       ARG  11   4.320   5.237   3.460
   64   1HG   ARG  11          2HG       ARG  11   3.177   6.865   4.780
   65   2HG   ARG  11          1HG       ARG  11   3.809   6.246   6.300
   66   1HD   ARG  11          1HD       ARG  11   5.569   7.641   4.160
   67   2HD   ARG  11          2HD       ARG  11   4.824   8.468   5.523
   68    HE   ARG  11           HE       ARG  11   6.574   6.046   6.130
   69   1HH1  ARG  11          1HH1      ARG  11   6.210   9.581   6.335
   70   2HH1  ARG  11          2HH1      ARG  11   7.632   9.674   7.492
   71   1HH2  ARG  11          2HH2      ARG  11   8.210   6.283   7.413
   72   2HH2  ARG  11          1HH2      ARG  11   8.685   7.933   8.059
   73    HA   HYP  12           HA       HYP  12  -0.417   2.846   4.014
   74   1HB   HYP  12          1HB       HYP  12  -2.246   3.064   6.117
   75   2HB   HYP  12          2HB       HYP  12  -1.055   1.749   5.903
   76   1HD   HYP  12          1HD       HYP  12   1.659   2.490   6.806
   77   2HD   HYP  12          2HD       HYP  12   1.652   4.205   7.312
   78    HOD  HYP  12           HOD      HYP  12  -0.091   1.496   7.930
   79    HG   HYP  12           HG       HYP  12  -0.693   4.264   7.661
   80    H    PHE  13           H        PHE  13  -1.657   3.837   2.730
   81    HA   PHE  13           HA       PHE  13  -3.125   6.439   3.290
   82   1HB   PHE  13          1HB       PHE  13  -1.136   6.059   0.916
   83   2HB   PHE  13          2HB       PHE  13  -2.314   7.287   0.886
   84    HD1  PHE  13           1HD      PHE  13   0.988   6.610   1.870
   85    HD2  PHE  13           2HD      PHE  13  -2.433   8.971   2.876
   86    HE1  PHE  13           1HE      PHE  13   2.454   8.223   3.092
   87    HE2  PHE  13           2HE      PHE  13  -1.001  10.565   4.092
   88    HZ   PHE  13           HZ       PHE  13   1.451  10.174   4.233
   89    HA   HYP  14           HA       HYP  14  -6.122   4.676   0.559
   90   1HB   HYP  14          1HB       HYP  14  -7.492   6.775  -0.250
   91   2HB   HYP  14          2HB       HYP  14  -7.367   6.189   1.421
   92   1HD   HYP  14          1HD       HYP  14  -4.112   8.037   1.877
   93   2HD   HYP  14          2HD       HYP  14  -5.420   7.311   2.874
   94    HOD  HYP  14           HOD      HYP  14  -7.713   9.046   1.180
   95    HG   HYP  14           HG       HYP  14  -5.682   8.503   0.238
   96    H    GLY  15           H        GLY  15  -5.855   3.935  -1.166
   97   1HA   GLY  15          1HA       GLY  15  -5.103   3.248  -3.342
   98   2HA   GLY  15          2HA       GLY  15  -4.587   4.890  -3.592
   99    H    CYS  16           H        CYS  16  -3.195   3.584  -0.854
  100    HA   CYS  16           HA       CYS  16  -0.516   3.209  -2.109
  101   1HB   CYS  16          1HB       CYS  16  -0.426   4.296  -0.111
  102   2HB   CYS  16          2HB       CYS  16  -1.424   3.101   0.795
  103    H    TYR  17           H        TYR  17  -2.616   1.191  -0.227
  104    HA   TYR  17           HA       TYR  17  -1.516  -1.486  -0.938
  105   1HB   TYR  17          2HB       TYR  17  -3.813  -2.386  -0.340
  106   2HB   TYR  17          1HB       TYR  17  -2.795  -1.742   0.887
  107    HD1  TYR  17           1HD      TYR  17  -3.510   0.054   2.342
  108    HD2  TYR  17           2HD      TYR  17  -5.817  -0.676  -1.233
  109    HE1  TYR  17           1HE      TYR  17  -5.171   1.675   3.076
  110    HE2  TYR  17           2HE      TYR  17  -7.470   0.959  -0.469
  111    HH   TYR  17           HH       TYR  17  -7.060   2.733   2.588
  112    H    ASN  18           H        ASN  18  -3.484   0.655  -2.848
  113    HA   ASN  18           HA       ASN  18  -3.682  -1.356  -5.096
  114   1HB   ASN  18          1HB       ASN  18  -5.483   0.366  -4.850
  115   2HB   ASN  18          2HB       ASN  18  -4.309   1.573  -5.181
  116   1HD2  ASN  18          1HD2      ASN  18  -3.931   1.778  -7.559
  117   2HD2  ASN  18          2HD2      ASN  18  -5.009   0.837  -8.713
  118    H    ALA  19           H        ALA  19  -1.282   0.809  -3.944
  119    HA   ALA  19           HA       ALA  19   0.049   1.215  -6.649
  120   1HB   ALA  19          1HB       ALA  19   1.549   2.849  -5.378
  121   2HB   ALA  19          2HB       ALA  19   0.766   2.414  -3.854
  122   3HB   ALA  19          HB3       ALA  19  -0.152   3.265  -5.113
  123    H    LEU  20           H        LEU  20   2.132   0.792  -6.971
  124    HA   LEU  20           HA       LEU  20   2.153  -1.908  -6.828
  125   1HB   LEU  20          1HB       LEU  20   2.991  -0.370  -8.683
  126   2HB   LEU  20          2HB       LEU  20   4.532  -0.262  -7.881
  127    HG   LEU  20           HG       LEU  20   4.463  -1.723  -9.857
  128   1HD1  LEU  20          1HD2      LEU  20   5.159  -3.489  -7.444
  129   2HD1  LEU  20          2HD2      LEU  20   6.195  -2.191  -8.090
  130   3HD1  LEU  20          3HD2      LEU  20   5.792  -3.598  -9.097
  131   1HD2  LEU  20          1HD1      LEU  20   2.644  -3.682  -8.329
  132   2HD2  LEU  20          2HD1      LEU  20   2.142  -2.632  -9.678
  133   3HD2  LEU  20          3HD1      LEU  20   3.338  -3.915  -9.951
  134    H    CYS  21           H        CYS  21   4.690   0.038  -5.166
  135    HA   CYS  21           HA       CYS  21   6.401  -2.098  -4.273
  136   1HB   CYS  21          1HB       CYS  21   7.112  -0.406  -2.664
  137   2HB   CYS  21          2HB       CYS  21   7.266   0.093  -4.331
  138    H    CYS  22           H        CYS  22   3.516  -0.739  -2.727
  139    HA   CYS  22           HA       CYS  22   3.734  -2.734  -0.436
  140   1HB   CYS  22          2HB       CYS  22   4.089  -0.290   0.364
  141   2HB   CYS  22          1HB       CYS  22   2.394   0.006  -0.066
  142    H    ARG  23           H        ARG  23   2.513  -2.782  -3.140
  143    HA   ARG  23           HA       ARG  23  -0.258  -3.332  -2.658
  144   1HB   ARG  23          2HB       ARG  23   0.730  -3.097  -4.957
  145   2HB   ARG  23          1HB       ARG  23   1.484  -4.675  -4.803
  146   1HG   ARG  23          2HG       ARG  23  -0.816  -5.715  -4.560
  147   2HG   ARG  23          1HG       ARG  23  -1.566  -4.140  -4.710
  148   1HD   ARG  23          1HD       ARG  23   0.278  -5.344  -6.912
  149   2HD   ARG  23          2HD       ARG  23  -1.447  -5.681  -6.849
  150    HE   ARG  23           HE       ARG  23  -1.431  -2.867  -6.827
  151   1HH1  ARG  23          2HH2      ARG  23  -0.119  -5.339  -9.021
  152   2HH1  ARG  23          1HH2      ARG  23  -0.309  -4.198 -10.445
  153   1HH2  ARG  23          2HH1      ARG  23  -1.551  -1.633  -8.517
  154   2HH2  ARG  23          1HH1      ARG  23  -1.064  -2.246 -10.177
  155    H    LYS  24           H        LYS  24   2.382  -5.784  -2.842
  156    HA   LYS  24           HA       LYS  24   0.736  -7.678  -1.070
  157   1HB   LYS  24          1HB       LYS  24   1.773  -8.328  -3.462
  158   2HB   LYS  24          2HB       LYS  24   3.265  -8.490  -2.614
  159   1HG   LYS  24          1HG       LYS  24   2.125 -10.175  -1.034
  160   2HG   LYS  24          2HG       LYS  24   0.635  -9.985  -1.958
  161   1HD   LYS  24          1HD       LYS  24   1.820 -10.807  -4.042
  162   2HD   LYS  24          2HD       LYS  24   3.315 -10.992  -3.117
  163   1HE   LYS  24          2HE       LYS  24   2.172 -12.690  -1.605
  164   2HE   LYS  24          1HE       LYS  24   0.675 -12.506  -2.531
  165   1HZ   LYS  24          HZ1       LYS  24   1.954 -14.409  -3.288
  166   2HZ   LYS  24          HZ2       LYS  24   1.869 -13.298  -4.508
  167   3HZ   LYS  24          HZ3       LYS  24   3.267 -13.471  -3.643
  168   1HN   NH2  25          1HN       NH2  25   3.561  -8.847  -0.562
  169   2HN   NH2  25          2HN       NH2  25   4.425  -7.565   0.455
  Start of MODEL   17
    1   1H    GLY   1          1H        GLY   1  -1.386  13.105  -5.571
    2   2H    GLY   1          2H        GLY   1  -0.069  14.005  -5.138
    3   3H    GLY   1          3H        GLY   1   0.108  12.403  -5.501
    4   1HA   GLY   1          2HA       GLY   1  -1.465  13.427  -3.166
    5   2HA   GLY   1          1HA       GLY   1  -1.198  11.748  -3.538
    6    HA   HYP   2           HA       HYP   2   2.179  12.414  -0.768
    7   1HB   HYP   2          1HB       HYP   2   1.247  10.974   1.480
    8   2HB   HYP   2          2HB       HYP   2   1.222  12.730   1.307
    9   1HD   HYP   2          1HD       HYP   2  -1.794  11.747  -1.301
   10   2HD   HYP   2          2HD       HYP   2  -1.334  13.333  -0.764
   11    HOD  HYP   2           HOD      HYP   2  -2.223  12.677   1.478
   12    HG   HYP   2           HG       HYP   2  -1.148  10.814   0.829
   13    HA   HYP   3           HA       HYP   3   3.634   8.313  -2.107
   14   1HB   HYP   3          1HB       HYP   3   5.606   8.441   0.206
   15   2HB   HYP   3          2HB       HYP   3   5.947   8.214  -1.483
   16   1HD   HYP   3          1HD       HYP   3   4.134  11.887  -0.988
   17   2HD   HYP   3          2HD       HYP   3   4.333  11.105   0.586
   18    HOD  HYP   3           HOD      HYP   3   5.064  10.288  -2.811
   19    HG   HYP   3           HG       HYP   3   6.459  10.602  -0.351
   20    H    CYS   4           H        CYS   4   2.973   6.579  -1.881
   21    HA   CYS   4           HA       CYS   4   1.836   5.011   0.260
   22   1HB   CYS   4          1HB       CYS   4   1.297   4.909  -2.111
   23   2HB   CYS   4          2HB       CYS   4   2.861   4.506  -2.540
   24    H    CYS   5           H        CYS   5   4.990   5.139  -1.182
   25    HA   CYS   5           HA       CYS   5   6.139   3.366   0.919
   26   1HB   CYS   5          1HB       CYS   5   7.201   3.337  -1.842
   27   2HB   CYS   5          2HB       CYS   5   7.621   2.319  -0.481
   28    H    LEU   6           H        LEU   6   7.466   4.593   1.727
   29    HA   LEU   6           HA       LEU   6   8.771   7.068   0.686
   30   1HB   LEU   6          2HB       LEU   6   7.086   7.636   2.327
   31   2HB   LEU   6          1HB       LEU   6   7.904   6.668   3.525
   32    HG   LEU   6           HG       LEU   6   9.747   8.193   3.448
   33   1HD1  LEU   6          1HD2      LEU   6   9.653  10.446   2.241
   34   2HD1  LEU   6          2HD2      LEU   6   8.156   9.913   1.431
   35   3HD1  LEU   6          3HD2      LEU   6   9.706   9.096   1.093
   36   1HD2  LEU   6          1HD1      LEU   6   8.774  10.145   4.531
   37   2HD2  LEU   6          2HD1      LEU   6   7.155   9.659   3.918
   38   3HD2  LEU   6          3HD1      LEU   6   8.051   8.609   5.065
   39    H    TYR   7           H        TYR   7  10.926   6.767   0.713
   40    HA   TYR   7           HA       TYR   7  12.814   5.614   0.583
   41   1HB   TYR   7          1HB       TYR   7  12.270   5.246   3.458
   42   2HB   TYR   7          2HB       TYR   7  13.740   4.918   2.616
   43    HD1  TYR   7           1HD      TYR   7  11.845   7.538   4.267
   44    HD2  TYR   7           2HD      TYR   7  14.965   6.939   1.357
   45    HE1  TYR   7           1HE      TYR   7  12.533   9.883   4.507
   46    HE2  TYR   7           2HE      TYR   7  15.643   9.285   1.622
   47    HH   TYR   7           HH       TYR   7  13.937  11.466   3.858
   48    H    GLY   8           H        GLY   8  11.049   3.991  -0.496
   49   1HA   GLY   8          1HA       GLY   8  10.890   1.764  -1.307
   50   2HA   GLY   8          2HA       GLY   8  12.017   1.157  -0.096
   51    H    SER   9           H        SER   9  10.007   2.616   1.833
   52    HA   SER   9           HA       SER   9   9.321  -0.179   2.596
   53   1HB   SER   9          2HB       SER   9  10.664   1.490   4.009
   54   2HB   SER   9          1HB       SER   9   9.187   2.174   4.583
   55    HG   SER   9           HG       SER   9   8.536   0.058   5.194
   56    H    CYS  10           H        CYS  10   7.236   0.726   4.655
   57    HA   CYS  10           HA       CYS  10   4.780   0.812   2.809
   58   1HB   CYS  10          2HB       CYS  10   5.231  -0.990   5.247
   59   2HB   CYS  10          1HB       CYS  10   3.608  -0.496   4.754
   60    H    ARG  11           H        ARG  11   3.722   2.583   3.099
   61    HA   ARG  11           HA       ARG  11   3.764   4.162   5.702
   62   1HB   ARG  11          1HB       ARG  11   5.542   4.780   4.085
   63   2HB   ARG  11          2HB       ARG  11   4.269   5.205   2.927
   64   1HG   ARG  11          2HG       ARG  11   4.961   7.218   3.804
   65   2HG   ARG  11          1HG       ARG  11   3.403   6.909   4.548
   66   1HD   ARG  11          2HD       ARG  11   5.077   7.905   6.176
   67   2HD   ARG  11          1HD       ARG  11   4.486   6.343   6.742
   68    HE   ARG  11           HE       ARG  11   6.847   5.665   5.334
   69   1HH1  ARG  11          1HH1      ARG  11   6.105   7.771   8.101
   70   2HH1  ARG  11          2HH1      ARG  11   7.777   7.473   8.797
   71   1HH2  ARG  11          2HH2      ARG  11   8.736   5.425   6.196
   72   2HH2  ARG  11          1HH2      ARG  11   9.166   6.232   7.787
   73    HA   HYP  12           HA       HYP  12  -0.280   2.880   4.094
   74   1HB   HYP  12          1HB       HYP  12  -1.933   3.090   6.336
   75   2HB   HYP  12          2HB       HYP  12  -0.686   1.835   6.072
   76   1HD   HYP  12          1HD       HYP  12   2.043   2.759   6.696
   77   2HD   HYP  12          2HD       HYP  12   1.990   4.489   7.136
   78    HOD  HYP  12           HOD      HYP  12   0.717   2.929   9.034
   79    HG   HYP  12           HG       HYP  12  -0.325   4.442   7.691
   80    H    PHE  13           H        PHE  13  -1.585   3.801   2.818
   81    HA   PHE  13           HA       PHE  13  -3.163   6.332   3.377
   82   1HB   PHE  13          1HB       PHE  13  -1.127   6.066   1.029
   83   2HB   PHE  13          2HB       PHE  13  -2.365   7.238   0.985
   84    HD1  PHE  13           1HD      PHE  13   0.944   6.762   1.961
   85    HD2  PHE  13           2HD      PHE  13  -2.617   8.845   3.072
   86    HE1  PHE  13           1HE      PHE  13   2.313   8.447   3.215
   87    HE2  PHE  13           2HE      PHE  13  -1.285  10.515   4.302
   88    HZ   PHE  13           HZ       PHE  13   1.191  10.303   4.398
   89    HA   HYP  14           HA       HYP  14  -6.074   4.487   0.619
   90   1HB   HYP  14          1HB       HYP  14  -7.538   6.537  -0.152
   91   2HB   HYP  14          2HB       HYP  14  -7.381   5.934   1.510
   92   1HD   HYP  14          1HD       HYP  14  -4.201   7.908   1.968
   93   2HD   HYP  14          2HD       HYP  14  -5.471   7.119   2.968
   94    HOD  HYP  14           HOD      HYP  14  -7.849   8.774   1.313
   95    HG   HYP  14           HG       HYP  14  -5.804   8.332   0.351
   96    H    GLY  15           H        GLY  15  -5.795   3.788  -1.117
   97   1HA   GLY  15          1HA       GLY  15  -5.048   3.173  -3.318
   98   2HA   GLY  15          2HA       GLY  15  -4.587   4.835  -3.535
   99    H    CYS  16           H        CYS  16  -3.138   3.465  -0.836
  100    HA   CYS  16           HA       CYS  16  -0.468   3.205  -2.146
  101   1HB   CYS  16          1HB       CYS  16  -0.368   4.288  -0.144
  102   2HB   CYS  16          2HB       CYS  16  -1.309   3.054   0.775
  103    H    TYR  17           H        TYR  17  -2.381   1.110  -0.133
  104    HA   TYR  17           HA       TYR  17  -1.383  -1.533  -1.059
  105   1HB   TYR  17          1HB       TYR  17  -3.585  -2.467  -0.258
  106   2HB   TYR  17          2HB       TYR  17  -2.484  -1.805   0.885
  107    HD1  TYR  17           1HD      TYR  17  -5.654  -0.750  -1.018
  108    HD2  TYR  17           2HD      TYR  17  -3.147  -0.070   2.428
  109    HE1  TYR  17           1HE      TYR  17  -7.266   0.863  -0.134
  110    HE2  TYR  17           2HE      TYR  17  -4.767   1.529   3.286
  111    HH   TYR  17           HH       TYR  17  -7.743   2.306   1.478
  112    H    ASN  18           H        ASN  18  -3.247   0.691  -2.853
  113    HA   ASN  18           HA       ASN  18  -3.650  -1.364  -5.058
  114   1HB   ASN  18          1HB       ASN  18  -5.507   0.229  -4.735
  115   2HB   ASN  18          2HB       ASN  18  -4.437   1.527  -5.058
  116   1HD2  ASN  18          1HD2      ASN  18  -3.969   1.698  -7.446
  117   2HD2  ASN  18          2HD2      ASN  18  -5.103   0.829  -8.605
  118    H    ALA  19           H        ALA  19  -1.305   0.883  -4.018
  119    HA   ALA  19           HA       ALA  19   0.053   1.190  -6.727
  120   1HB   ALA  19          1HB       ALA  19  -0.107   3.295  -5.228
  121   2HB   ALA  19          2HB       ALA  19   0.779   2.442  -3.949
  122   3HB   ALA  19          HB3       ALA  19   1.584   2.823  -5.473
  123    H    LEU  20           H        LEU  20   2.162   0.739  -6.983
  124    HA   LEU  20           HA       LEU  20   2.168  -1.967  -6.792
  125   1HB   LEU  20          2HB       LEU  20   3.251  -0.347  -8.559
  126   2HB   LEU  20          1HB       LEU  20   4.744  -0.632  -7.706
  127    HG   LEU  20           HG       LEU  20   2.929  -2.647  -9.175
  128   1HD1  LEU  20          1HD2      LEU  20   5.836  -1.743  -9.636
  129   2HD1  LEU  20          2HD2      LEU  20   4.406  -1.166 -10.538
  130   3HD1  LEU  20          3HD2      LEU  20   4.910  -2.874 -10.668
  131   1HD2  LEU  20          1HD1      LEU  20   3.794  -4.028  -7.337
  132   2HD2  LEU  20          2HD1      LEU  20   5.454  -3.411  -7.563
  133   3HD2  LEU  20          3HD1      LEU  20   4.690  -4.446  -8.797
  134    H    CYS  21           H        CYS  21   4.687   0.078  -5.207
  135    HA   CYS  21           HA       CYS  21   6.431  -1.989  -4.304
  136   1HB   CYS  21          1HB       CYS  21   7.187  -0.160  -2.798
  137   2HB   CYS  21          2HB       CYS  21   7.329   0.145  -4.520
  138    H    CYS  22           H        CYS  22   3.567  -0.756  -2.703
  139    HA   CYS  22           HA       CYS  22   3.912  -2.615  -0.400
  140   1HB   CYS  22          2HB       CYS  22   4.445  -0.228   0.542
  141   2HB   CYS  22          1HB       CYS  22   2.743   0.156   0.225
  142    H    ARG  23           H        ARG  23   2.737  -2.861  -2.816
  143    HA   ARG  23           HA       ARG  23  -0.068  -2.533  -2.734
  144   1HB   ARG  23          2HB       ARG  23   1.359  -3.239  -4.799
  145   2HB   ARG  23          1HB       ARG  23   1.083  -4.901  -4.317
  146   1HG   ARG  23          1HG       ARG  23  -1.453  -4.400  -4.448
  147   2HG   ARG  23          2HG       ARG  23  -1.043  -2.742  -4.888
  148   1HD   ARG  23          1HD       ARG  23   0.310  -3.827  -6.909
  149   2HD   ARG  23          2HD       ARG  23  -0.566  -5.309  -6.547
  150    HE   ARG  23           HE       ARG  23  -1.686  -2.680  -7.575
  151   1HH1  ARG  23          1HH1      ARG  23  -2.523  -5.938  -6.419
  152   2HH1  ARG  23          2HH1      ARG  23  -4.221  -5.762  -7.093
  153   1HH2  ARG  23          2HH2      ARG  23  -3.637  -2.605  -8.341
  154   2HH2  ARG  23          1HH2      ARG  23  -4.807  -3.999  -8.108
  155    H    LYS  24           H        LYS  24   1.611  -5.596  -2.023
  156    HA   LYS  24           HA       LYS  24  -0.861  -6.680  -0.542
  157   1HB   LYS  24          1HB       LYS  24   1.091  -7.952  -2.578
  158   2HB   LYS  24          2HB       LYS  24   0.154  -8.920  -1.484
  159   1HG   LYS  24          1HG       LYS  24  -1.981  -8.045  -2.319
  160   2HG   LYS  24          2HG       LYS  24  -1.187  -6.889  -3.370
  161   1HD   LYS  24          1HD       LYS  24  -0.768  -9.941  -3.685
  162   2HD   LYS  24          2HD       LYS  24  -2.133  -9.092  -4.369
  163   1HE   LYS  24          2HE       LYS  24  -0.610  -9.257  -6.165
  164   2HE   LYS  24          1HE       LYS  24  -0.569  -7.565  -5.685
  165   1HZ   LYS  24          HZ1       LYS  24   1.460  -9.627  -4.948
  166   2HZ   LYS  24          HZ2       LYS  24   1.646  -8.443  -6.085
  167   3HZ   LYS  24          HZ3       LYS  24   1.522  -8.042  -4.487
  168   1HN   NH2  25          1HN       NH2  25   1.126  -8.980   0.100
  169   2HN   NH2  25          2HN       NH2  25   1.900  -8.304   1.669