*HEADER    PROTEIN FIBRIL                          19-JUN-13   2M9S              
*TITLE     3D NMR STRUCTURE OF A COMPLEX BETWEEN THE AMYLOID BETA PEPTIDE (1-40) 
*TITLE    2 AND THE POLYPHENOL EPSILON-VINIFERIN GLUCOSIDE                       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: AMYLOID BETA A4 PROTEIN;                                   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 672-711;                                      
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   4 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   5 ORGANISM_TAXID: 9606                                                 
*KEYWDS    AMYLOID PEPTIDE, PROTEIN FIBRIL                                       
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    9                                                                     
*AUTHOR    J.MONTI, T.RICHARD                                                    
*REVDAT   1   11-SEP-13 2M9S    0                                                


!BIOSYM restraint 1
!
#remote_prochiral_center
1:VAL_12:HG1*   1:VAL_12:HG2*   1:VAL_12:CG1    1:VAL_12:CG2    1:VAL_12:CB    
1:VAL_18:HG1*   1:VAL_18:HG2*   1:VAL_18:CG1    1:VAL_18:CG2    1:VAL_18:CB    
1:VAL_24:HG1*   1:VAL_24:HG2*   1:VAL_24:CG1    1:VAL_24:CG2    1:VAL_24:CB    
1:VAL_36:HG1*   1:VAL_36:HG2*   1:VAL_36:CG1    1:VAL_36:CG2    1:VAL_36:CB    
1:VAL_39:HG1*   1:VAL_39:HG2*   1:VAL_39:CG1    1:VAL_39:CG2    1:VAL_39:CB    
1:VALC_40:HG1*  1:VALC_40:HG2*  1:VALC_40:CG1   1:VALC_40:CG2   1:VALC_40:CB   
!
#chiral
1:AP-N_1:CA        S
1:ALA_2:CA         S
1:GLU-_3:CA        S
1:PHE_4:CA         S
1:ARG+_5:CA        S
1:HIS_6:CA         S
1:ASP-_7:CA        S
1:SER_8:CA         S
1:GLY_9:CA         S
1:TYR_10:CA        S
1:GLU-_11:CA       S
1:VAL_12:CA        S
1:HIS_13:CA        S
1:HIS_14:CA        S
1:GLN_15:CA        S
1:LYS+_16:CA       S
1:LEU_17:CA        S
1:VAL_18:CA        S
1:PHE_19:CA        S
1:PHE_20:CA        S
1:ALA_21:CA        S
1:GLU-_22:CA       S
1:ASP-_23:CA       S
1:VAL_24:CA        S
1:GLY_25:CA        S
1:SER_26:CA        S
1:ASN_27:CA        S
1:LYS+_28:CA       S
1:GLY_29:CA        S
1:ALA_30:CA        S
1:ILE_31:CA        S
1:ILE_31:CB        S
1:ILE_32:CA        S
1:ILE_32:CB        S
1:GLY_33:CA        S
1:LEU_34:CA        S
1:MET_35:CA        S
1:VAL_36:CA        S
1:GLY_37:CA        S
1:GLY_38:CA        S
1:VAL_39:CA        S
1:VALC_40:CA       S
1:CPEN_1G:C3       S
1:CPEN_1G:C33      S
1:BDGL_1F:C1       S
1:BDGL_1F:C2       R
1:BDGL_1F:C3       S
1:BDGL_1F:C4       S
1:BDGL_1F:C5       R
1:CPEN_1M:C3       S
1:CPEN_1M:C33      S
1:BDGL_1H:C1       S
1:BDGL_1H:C2       R
1:BDGL_1H:C3       S
1:BDGL_1H:C4       S
1:BDGL_1H:C5       R
!
#NOE_distance
1:AP-N_1:HA        1:AP-N_1:HB*       -1.000  6.000  6.000 30.00 30.00 1000.000  0.00
1:ALA_2:HA         1:ALA_2:HN         -1.000  3.300  3.300 30.00 30.00 1000.000  0.00
1:ALA_2:HB*        1:ALA_2:HN         -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:ALA_2:HA         1:ALA_2:HB*        -1.000  2.700  2.700 30.00 30.00 1000.000  0.00
1:GLU-_3:HA        1:GLU-_3:HN        -1.000  3.300  3.300 30.00 30.00 1000.000  0.00
1:GLU-_3:HA        1:GLU-_3:HB*       -1.000  3.300  3.300 30.00 30.00 1000.000  0.00
1:GLU-_3:HA        1:GLU-_3:HG*       -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:GLU-_3:HB*       1:GLU-_3:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:GLU-_3:HB*       1:GLU-_3:HG*       -1.000  2.700  2.700 30.00 30.00 1000.000  0.00
1:GLU-_3:HG*       1:GLU-_3:HN        -1.000  6.000  6.000 30.00 30.00 1000.000  0.00
1:PHE_4:HA         1:PHE_4:HN         -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:PHE_4:HA         1:PHE_4:HB*        -1.000  2.700  2.700 30.00 30.00 1000.000  0.00
1:PHE_4:HA         1:PHE_4:HD*        -1.000  7.000  7.000 30.00 30.00 1000.000  0.00
1:PHE_4:HB*        1:PHE_4:HN         -1.000  3.300  3.300 30.00 30.00 1000.000  0.00
1:ARG+_5:HA        1:ARG+_5:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:ARG+_5:HA        1:ARG+_5:HB*       -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:ARG+_5:HA        1:ARG+_5:HD*       -1.000  6.000  6.000 30.00 30.00 1000.000  0.00
1:ARG+_5:HB*       1:ARG+_5:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:ARG+_5:HB*       1:ARG+_5:HG*       -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:ARG+_5:HB*       1:ARG+_5:HD*       -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:ARG+_5:HG*       1:ARG+_5:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:ARG+_5:HG*       1:ARG+_5:HD*       -1.000  3.300  3.300 30.00 30.00 1000.000  0.00
1:HIS_6:HA         1:HIS_6:HN         -1.000  3.300  3.300 30.00 30.00 1000.000  0.00
1:HIS_6:HA         1:HIS_6:HB*        -1.000  3.300  3.300 30.00 30.00 1000.000  0.00
1:HIS_6:HB*        1:HIS_6:HN         -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:HIS_6:HB*        1:HIS_6:HD2        -1.000  6.000  6.000 30.00 30.00 1000.000  0.00
1:ASP-_7:HA        1:ASP-_7:HB*       -1.000  3.300  3.300 30.00 30.00 1000.000  0.00
1:ASP-_7:HA        1:ASP-_7:HN        -1.000  3.300  3.300 30.00 30.00 1000.000  0.00
1:ASP-_7:HB*       1:ASP-_7:HN        -1.000  6.000  6.000 30.00 30.00 1000.000  0.00
1:SER_8:HA         1:SER_8:HN         -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:SER_8:HA         1:SER_8:HB*        -1.000  3.300  3.300 30.00 30.00 1000.000  0.00
1:SER_8:HB*        1:SER_8:HN         -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:GLY_9:HA*        1:GLY_9:HN         -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:TYR_10:HA        1:TYR_10:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:TYR_10:HA        1:TYR_10:HB*       -1.000  3.300  3.300 30.00 30.00 1000.000  0.00
1:TYR_10:HA        1:TYR_10:HD*       -1.000  7.000  7.000 30.00 30.00 1000.000  0.00
1:TYR_10:HB*       1:TYR_10:HN        -1.000  3.300  3.300 30.00 30.00 1000.000  0.00
1:TYR_10:HB*       1:TYR_10:HD*       -1.000  7.000  7.000 30.00 30.00 1000.000  0.00
1:GLU-_11:HA       1:GLU-_11:HN       -1.000  3.300  3.300 30.00 30.00 1000.000  0.00
1:GLU-_11:HA       1:GLU-_11:HB*      -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:GLU-_11:HB*      1:GLU-_11:HN       -1.000  6.000  6.000 30.00 30.00 1000.000  0.00
1:GLU-_11:HB*      1:GLU-_11:HG*      -1.000  2.700  2.700 30.00 30.00 1000.000  0.00
1:GLU-_11:HG*      1:GLU-_11:HN       -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:VAL_12:HA        1:VAL_12:HN        -1.000  3.300  3.300 30.00 30.00 1000.000  0.00
1:VAL_12:HA        1:VAL_12:HB        -1.000  3.300  3.300 30.00 30.00 1000.000  0.00
1:VAL_12:HA        1:VAL_12:HG1*      -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:VAL_12:HB        1:VAL_12:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:VAL_12:HB        1:VAL_12:HG1*      -1.000  3.300  3.300 30.00 30.00 1000.000  0.00
1:VAL_12:HB        1:VAL_12:HG2*      -1.000  3.300  3.300 30.00 30.00 1000.000  0.00
1:VAL_12:HG1*      1:VAL_12:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:HIS_13:HA        1:HIS_13:HN        -1.000  3.300  3.300 30.00 30.00 1000.000  0.00
1:HIS_13:HA        1:HIS_13:HB*       -1.000  2.700  2.700 30.00 30.00 1000.000  0.00
1:HIS_13:HB*       1:HIS_13:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:HIS_13:HB*       1:HIS_13:HD2       -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:HIS_14:HA        1:HIS_14:HN        -1.000  3.300  3.300 30.00 30.00 1000.000  0.00
1:HIS_14:HA        1:HIS_14:HB*       -1.000  6.000  6.000 30.00 30.00 1000.000  0.00
1:HIS_14:HB*       1:HIS_14:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:HIS_14:HB*       1:HIS_14:HD2       -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:GLN_15:HA        1:GLN_15:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:GLN_15:HB*       1:GLN_15:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:GLN_15:HG*       1:GLN_15:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:GLN_15:HA        1:GLN_15:HB*       -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:GLN_15:HA        1:GLN_15:HG*       -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:GLN_15:HB*       1:GLN_15:HG*       -1.000  3.300  3.300 30.00 30.00 1000.000  0.00
1:GLN_15:HG*       1:GLN_15:HE2*      -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:LYS+_16:HA       1:LYS+_16:HN       -1.000  3.300  3.300 30.00 30.00 1000.000  0.00
1:LYS+_16:HB*      1:LYS+_16:HN       -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:LYS+_16:HG*      1:LYS+_16:HN       -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:LYS+_16:HG*      1:LYS+_16:HD*      -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:LYS+_16:HD*      1:LYS+_16:HN       -1.000  6.000  6.000 30.00 30.00 1000.000  0.00
1:LYS+_16:HD*      1:LYS+_16:HE*      -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:LYS+_16:HA       1:LYS+_16:HB*      -1.000  3.300  3.300 30.00 30.00 1000.000  0.00
1:LYS+_16:HA       1:LYS+_16:HG*      -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:LYS+_16:HA       1:LYS+_16:HD*      -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:LYS+_16:HB*      1:LYS+_16:HG*      -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:LYS+_16:HB*      1:LYS+_16:HD*      -1.000  6.000  6.000 30.00 30.00 1000.000  0.00
1:LYS+_16:HD*      1:LYS+_16:HZ*      -1.000  6.000  6.000 30.00 30.00 1000.000  0.00
1:LYS+_16:HG*      1:LYS+_16:HZ*      -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:LEU_17:HA        1:LEU_17:HN        -1.000  3.300  3.300 30.00 30.00 1000.000  0.00
1:LEU_17:HA        1:LEU_17:HB*       -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:LEU_17:HA        1:LEU_17:HG        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:LEU_17:HA        1:LEU_17:HD*       -1.000  7.000  7.000 30.00 30.00 1000.000  0.00
1:LEU_17:HB*       1:LEU_17:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:LEU_17:HB*       1:LEU_17:HG        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:LEU_17:HB*       1:LEU_17:HD*       -1.000  7.000  7.000 30.00 30.00 1000.000  0.00
1:LEU_17:HG        1:LEU_17:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:LEU_17:HD*       1:LEU_17:HN        -1.000  7.000  7.000 30.00 30.00 1000.000  0.00
1:VAL_18:HA        1:VAL_18:HN        -1.000  3.300  3.300 30.00 30.00 1000.000  0.00
1:VAL_18:HA        1:VAL_18:HB        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:VAL_18:HA        1:VAL_18:HG1*      -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:VAL_18:HB        1:VAL_18:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:VAL_18:HB        1:VAL_18:HG2*      -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:VAL_18:HG1*      1:VAL_18:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:PHE_19:HA        1:PHE_19:HN        -1.000  3.300  3.300 30.00 30.00 1000.000  0.00
1:PHE_19:HA        1:PHE_19:HB*       -1.000  3.300  3.300 30.00 30.00 1000.000  0.00
1:PHE_19:HA        1:PHE_19:HD*       -1.000  7.000  7.000 30.00 30.00 1000.000  0.00
1:PHE_19:HB*       1:PHE_19:HN        -1.000  2.700  2.700 30.00 30.00 1000.000  0.00
1:PHE_19:HB*       1:PHE_19:HD*       -1.000  7.000  7.000 30.00 30.00 1000.000  0.00
1:PHE_20:HA        1:PHE_20:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:PHE_20:HA        1:PHE_20:HB*       -1.000  3.300  3.300 30.00 30.00 1000.000  0.00
1:PHE_20:HA        1:PHE_20:HD*       -1.000  7.000  7.000 30.00 30.00 1000.000  0.00
1:PHE_20:HB*       1:PHE_20:HD*       -1.000  5.300  5.300 30.00 30.00 1000.000  0.00
1:PHE_20:HD*       1:PHE_20:HN        -1.000  7.000  7.000 30.00 30.00 1000.000  0.00
1:ALA_21:HA        1:ALA_21:HN        -1.000  3.300  3.300 30.00 30.00 1000.000  0.00
1:ALA_21:HA        1:ALA_21:HB*       -1.000  2.700  2.700 30.00 30.00 1000.000  0.00
1:ALA_21:HB*       1:ALA_21:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:GLU-_22:HA       1:GLU-_22:HN       -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:GLU-_22:HA       1:GLU-_22:HB*      -1.000  2.700  2.700 30.00 30.00 1000.000  0.00
1:GLU-_22:HA       1:GLU-_22:HG*      -1.000  6.000  6.000 30.00 30.00 1000.000  0.00
1:GLU-_22:HB*      1:GLU-_22:HN       -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:GLU-_22:HB*      1:GLU-_22:HG*      -1.000  2.700  2.700 30.00 30.00 1000.000  0.00
1:GLU-_22:HG*      1:GLU-_22:HN       -1.000  3.300  3.300 30.00 30.00 1000.000  0.00
1:ASP-_23:HA       1:ASP-_23:HN       -1.000  3.300  3.300 30.00 30.00 1000.000  0.00
1:ASP-_23:HA       1:ASP-_23:HB*      -1.000  3.300  3.300 30.00 30.00 1000.000  0.00
1:ASP-_23:HB*      1:ASP-_23:HN       -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:VAL_24:HA        1:VAL_24:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:VAL_24:HA        1:VAL_24:HB        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:VAL_24:HA        1:VAL_24:HG1*      -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:VAL_24:HB        1:VAL_24:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:VAL_24:HB        1:VAL_24:HG1*      -1.000  5.300  5.300 30.00 30.00 1000.000  0.00
1:VAL_24:HB        1:VAL_24:HG2*      -1.000  5.300  5.300 30.00 30.00 1000.000  0.00
1:VAL_24:HG1*      1:VAL_24:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:GLY_25:HA*       1:GLY_25:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:SER_26:HA        1:SER_26:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:SER_26:HA        1:SER_26:HB*       -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:SER_26:HB*       1:SER_26:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:ASN_27:HA        1:ASN_27:HN        -1.000  3.300  3.300 30.00 30.00 1000.000  0.00
1:ASN_27:HA        1:ASN_27:HB*       -1.000  3.300  3.300 30.00 30.00 1000.000  0.00
1:ASN_27:HB*       1:ASN_27:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:ASN_27:HB*       1:ASN_27:HD2*      -1.000  6.000  6.000 30.00 30.00 1000.000  0.00
1:LYS+_28:HA       1:LYS+_28:HN       -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:LYS+_28:HA       1:LYS+_28:HB*      -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:LYS+_28:HB*      1:LYS+_28:HN       -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:LYS+_28:HG*      1:LYS+_28:HN       -1.000  6.000  6.000 30.00 30.00 1000.000  0.00
1:LYS+_28:HD*      1:LYS+_28:HN       -1.000  6.000  6.000 30.00 30.00 1000.000  0.00
1:LYS+_28:HB*      1:LYS+_28:HG*      -1.000  2.700  2.700 30.00 30.00 1000.000  0.00
1:LYS+_28:HB*      1:LYS+_28:HD*      -1.000  3.300  3.300 30.00 30.00 1000.000  0.00
1:LYS+_28:HG*      1:LYS+_28:HD*      -1.000  2.700  2.700 30.00 30.00 1000.000  0.00
1:LYS+_28:HD*      1:LYS+_28:HZ*      -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:LYS+_28:HG*      1:LYS+_28:HZ*      -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:ALA_30:HA        1:ALA_30:HN        -1.000  3.300  3.300 30.00 30.00 1000.000  0.00
1:ALA_30:HA        1:ALA_30:HB*       -1.000  3.300  3.300 30.00 30.00 1000.000  0.00
1:ALA_30:HB*       1:ALA_30:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:ILE_31:HA        1:ILE_31:HN        -1.000  3.300  3.300 30.00 30.00 1000.000  0.00
1:ILE_31:HA        1:ILE_31:HB        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:ILE_31:HA        1:ILE_31:HG*       -1.000  7.000  7.000 30.00 30.00 1000.000  0.00
1:ILE_31:HA        1:ILE_31:HD1*      -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:ILE_31:HB        1:ILE_31:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:ILE_31:HB        1:ILE_31:HG*       -1.000  7.000  7.000 30.00 30.00 1000.000  0.00
1:ILE_31:HB        1:ILE_31:HD1*      -1.000  3.300  3.300 30.00 30.00 1000.000  0.00
1:ILE_31:HG*       1:ILE_31:HN        -1.000  8.000  8.000 30.00 30.00 1000.000  0.00
1:ILE_31:HG*       1:ILE_31:HD1*      -1.000  4.700  4.700 30.00 30.00 1000.000  0.00
1:ILE_31:HD1*      1:ILE_31:HN        -1.000  6.000  6.000 30.00 30.00 1000.000  0.00
1:ILE_32:HA        1:ILE_32:HN        -1.000  3.300  3.300 30.00 30.00 1000.000  0.00
1:ILE_32:HA        1:ILE_32:HB        -1.000  2.700  2.700 30.00 30.00 1000.000  0.00
1:ILE_32:HA        1:ILE_32:HG*       -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:ILE_32:HB        1:ILE_32:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:ILE_32:HB        1:ILE_32:HG*       -1.000  3.300  3.300 30.00 30.00 1000.000  0.00
1:ILE_32:HB        1:ILE_32:HD1*      -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:ILE_32:HG*       1:ILE_32:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:ILE_32:HG*       1:ILE_32:HD1*      -1.000  4.700  4.700 30.00 30.00 1000.000  0.00
1:ILE_32:HD1*      1:ILE_32:HN        -1.000  7.000  7.000 30.00 30.00 1000.000  0.00
1:GLY_33:HA*       1:GLY_33:HN        -1.000  3.300  3.300 30.00 30.00 1000.000  0.00
1:LEU_34:HA        1:LEU_34:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:LEU_34:HA        1:LEU_34:HB*       -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:LEU_34:HA        1:LEU_34:HG        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:LEU_34:HB*       1:LEU_34:HN        -1.000  3.300  3.300 30.00 30.00 1000.000  0.00
1:LEU_34:HB*       1:LEU_34:HG        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:LEU_34:HB*       1:LEU_34:HD*       -1.000  7.000  7.000 30.00 30.00 1000.000  0.00
1:LEU_34:HG        1:LEU_34:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:LEU_34:HG        1:LEU_34:HD*       -1.000  7.000  7.000 30.00 30.00 1000.000  0.00
1:LEU_34:HD*       1:LEU_34:HN        -1.000  8.000  8.000 30.00 30.00 1000.000  0.00
1:MET_35:HA        1:MET_35:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:MET_35:HA        1:MET_35:HB*       -1.000  3.300  3.300 30.00 30.00 1000.000  0.00
1:MET_35:HA        1:MET_35:HG*       -1.000  6.000  6.000 30.00 30.00 1000.000  0.00
1:MET_35:HB*       1:MET_35:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:MET_35:HG*       1:MET_35:HE*       -1.000  6.000  6.000 30.00 30.00 1000.000  0.00
1:VAL_36:HA        1:VAL_36:HN        -1.000  3.300  3.300 30.00 30.00 1000.000  0.00
1:VAL_36:HA        1:VAL_36:HB        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:VAL_36:HA        1:VAL_36:HG1*      -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:VAL_36:HB        1:VAL_36:HN        -1.000  3.300  3.300 30.00 30.00 1000.000  0.00
1:VAL_36:HB        1:VAL_36:HG1*      -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:VAL_36:HB        1:VAL_36:HG2*      -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:VAL_36:HG1*      1:VAL_36:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:GLY_37:HA*       1:GLY_37:HN        -1.000  3.300  3.300 30.00 30.00 1000.000  0.00
1:GLY_38:HA*       1:GLY_38:HN        -1.000  3.300  3.300 30.00 30.00 1000.000  0.00
1:VAL_39:HA        1:VAL_39:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:VAL_39:HA        1:VAL_39:HB        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:VAL_39:HA        1:VAL_39:HG1*      -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:VAL_39:HB        1:VAL_39:HN        -1.000  6.000  6.000 30.00 30.00 1000.000  0.00
1:VAL_39:HB        1:VAL_39:HG1*      -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:VAL_39:HB        1:VAL_39:HG2*      -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:VAL_39:HG1*      1:VAL_39:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:VALC_40:HA       1:VALC_40:HN       -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:VALC_40:HA       1:VALC_40:HB       -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:VALC_40:HA       1:VALC_40:HG1*     -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:VALC_40:HB       1:VALC_40:HG1*     -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:VALC_40:HB       1:VALC_40:HG2*     -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:AP-N_1:HA        1:ALA_2:HN         -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:AP-N_1:HB*       1:ALA_2:HN         -1.000  6.000  6.000 30.00 30.00 1000.000  0.00
1:ALA_2:HA         1:GLU-_3:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:ALA_2:HB*        1:GLU-_3:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:ALA_2:HN         1:GLU-_3:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:GLU-_3:HN        1:PHE_4:HN         -1.000  6.000  6.000 30.00 30.00 1000.000  0.00
1:GLU-_3:HA        1:PHE_4:HN         -1.000  2.700  2.700 30.00 30.00 1000.000  0.00
1:GLU-_3:HB*       1:PHE_4:HN         -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:GLU-_3:HA        1:PHE_4:HB*        -1.000  6.000  6.000 30.00 30.00 1000.000  0.00
1:GLU-_3:HG*       1:PHE_4:HD*        -1.000  7.000  7.000 30.00 30.00 1000.000  0.00
1:GLU-_3:HG*       1:PHE_4:HN         -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:PHE_4:HN         1:ARG+_5:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:PHE_4:HA         1:ARG+_5:HN        -1.000  2.700  2.700 30.00 30.00 1000.000  0.00
1:PHE_4:HD*        1:ARG+_5:HN        -1.000  7.000  7.000 30.00 30.00 1000.000  0.00
1:ARG+_5:HA        1:HIS_6:HB*        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:ARG+_5:HA        1:HIS_6:HN         -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:ARG+_5:HD*       1:HIS_6:HN         -1.000  6.000  6.000 30.00 30.00 1000.000  0.00
1:HIS_6:HN         1:ASP-_7:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:HIS_6:HA         1:ASP-_7:HN        -1.000  3.300  3.300 30.00 30.00 1000.000  0.00
1:HIS_6:HB*        1:ASP-_7:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:ASP-_7:HA        1:SER_8:HN         -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:ASP-_7:HN        1:SER_8:HN         -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:ASP-_7:HB*       1:SER_8:HN         -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:SER_8:HA         1:GLY_9:HN         -1.000  3.300  3.300 30.00 30.00 1000.000  0.00
1:SER_8:HN         1:GLY_9:HN         -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:GLY_9:HN         1:TYR_10:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:GLY_9:HA*        1:TYR_10:HN        -1.000  3.300  3.300 30.00 30.00 1000.000  0.00
1:GLY_9:HA*        1:TYR_10:HD*       -1.000  7.000  7.000 30.00 30.00 1000.000  0.00
1:TYR_10:HA        1:GLU-_11:HN       -1.000  2.700  2.700 30.00 30.00 1000.000  0.00
1:TYR_10:HN        1:GLU-_11:HN       -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:TYR_10:HB*       1:GLU-_11:HN       -1.000  6.000  6.000 30.00 30.00 1000.000  0.00
1:TYR_10:HD*       1:GLU-_11:HN       -1.000  5.300  5.300 30.00 30.00 1000.000  0.00
1:GLU-_11:HN       1:VAL_12:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:GLU-_11:HA       1:VAL_12:HN        -1.000  3.300  3.300 30.00 30.00 1000.000  0.00
1:GLU-_11:HA       1:VAL_12:HG1*      -1.000  6.000  6.000 30.00 30.00 1000.000  0.00
1:GLU-_11:HB*      1:VAL_12:HN        -1.000  6.000  6.000 30.00 30.00 1000.000  0.00
1:GLU-_11:HG*      1:VAL_12:HN        -1.000  6.000  6.000 30.00 30.00 1000.000  0.00
1:VAL_12:HN        1:HIS_13:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:VAL_12:HA        1:HIS_13:HN        -1.000  2.700  2.700 30.00 30.00 1000.000  0.00
1:VAL_12:HB        1:HIS_13:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:VAL_12:HG1*      1:HIS_13:HN        -1.000  7.000  7.000 30.00 30.00 1000.000  0.00
1:VAL_12:HG1*      1:HIS_13:HA        -1.000  7.000  7.000 30.00 30.00 1000.000  0.00
1:HIS_13:HN        1:HIS_14:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:HIS_13:HA        1:HIS_14:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:HIS_13:HB*       1:HIS_14:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:HIS_14:HN        1:GLN_15:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:HIS_14:HA        1:GLN_15:HN        -1.000  2.700  2.700 30.00 30.00 1000.000  0.00
1:GLN_15:HN        1:LYS+_16:HN       -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:GLN_15:HA        1:LYS+_16:HN       -1.000  2.700  2.700 30.00 30.00 1000.000  0.00
1:GLN_15:HB*       1:LYS+_16:HN       -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:GLN_15:HG*       1:LYS+_16:HN       -1.000  6.000  6.000 30.00 30.00 1000.000  0.00
1:LYS+_16:HN       1:LEU_17:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:LYS+_16:HN       1:LEU_17:HD*       -1.000  7.000  7.000 30.00 30.00 1000.000  0.00
1:LYS+_16:HA       1:LEU_17:HN        -1.000  2.700  2.700 30.00 30.00 1000.000  0.00
1:LYS+_16:HA       1:LEU_17:HB*       -1.000  6.000  6.000 30.00 30.00 1000.000  0.00
1:LYS+_16:HB*      1:LEU_17:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:LEU_17:HN        1:VAL_18:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:LEU_17:HN        1:VAL_18:HG1*      -1.000  7.000  7.000 30.00 30.00 1000.000  0.00
1:LEU_17:HA        1:VAL_18:HN        -1.000  2.700  2.700 30.00 30.00 1000.000  0.00
1:LEU_17:HB*       1:VAL_18:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:LEU_17:HD*       1:VAL_18:HN        -1.000  7.000  7.000 30.00 30.00 1000.000  0.00
1:VAL_18:HN        1:PHE_19:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:VAL_18:HA        1:PHE_19:HN        -1.000  2.700  2.700 30.00 30.00 1000.000  0.00
1:VAL_18:HA        1:PHE_19:HB*       -1.000  6.000  6.000 30.00 30.00 1000.000  0.00
1:VAL_18:HB        1:PHE_19:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:VAL_18:HG1*      1:PHE_19:HN        -1.000  7.000  7.000 30.00 30.00 1000.000  0.00
1:VAL_18:HG1*      1:PHE_19:HA        -1.000  7.000  7.000 30.00 30.00 1000.000  0.00
1:VAL_18:HG1*      1:PHE_19:HD*       -1.000  9.000  9.000 30.00 30.00 1000.000  0.00
1:PHE_19:HN        1:PHE_20:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:PHE_19:HA        1:PHE_20:HN        -1.000  2.700  2.700 30.00 30.00 1000.000  0.00
1:PHE_19:HB*       1:PHE_20:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:PHE_20:HN        1:ALA_21:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:PHE_20:HA        1:ALA_21:HN        -1.000  2.700  2.700 30.00 30.00 1000.000  0.00
1:PHE_20:HB*       1:ALA_21:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:ALA_21:HN        1:GLU-_22:HN       -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:ALA_21:HA        1:GLU-_22:HN       -1.000  2.700  2.700 30.00 30.00 1000.000  0.00
1:ALA_21:HB*       1:GLU-_22:HN       -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:GLU-_22:HN       1:ASP-_23:HN       -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:GLU-_22:HA       1:ASP-_23:HN       -1.000  2.700  2.700 30.00 30.00 1000.000  0.00
1:GLU-_22:HB*      1:ASP-_23:HN       -1.000  6.000  6.000 30.00 30.00 1000.000  0.00
1:GLU-_22:HG*      1:ASP-_23:HN       -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:ASP-_23:HN       1:VAL_24:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:ASP-_23:HA       1:VAL_24:HN        -1.000  3.300  3.300 30.00 30.00 1000.000  0.00
1:ASP-_23:HA       1:VAL_24:HB        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:ASP-_23:HA       1:VAL_24:HG1*      -1.000  7.000  7.000 30.00 30.00 1000.000  0.00
1:ASP-_23:HB*      1:VAL_24:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:VAL_24:HN        1:GLY_25:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:VAL_24:HA        1:GLY_25:HN        -1.000  2.700  2.700 30.00 30.00 1000.000  0.00
1:VAL_24:HB        1:GLY_25:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:VAL_24:HG1*      1:GLY_25:HN        -1.000  7.000  7.000 30.00 30.00 1000.000  0.00
1:GLY_25:HN        1:SER_26:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:GLY_25:HA*       1:SER_26:HN        -1.000  3.300  3.300 30.00 30.00 1000.000  0.00
1:SER_26:HN        1:ASN_27:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:SER_26:HA        1:ASN_27:HN        -1.000  2.700  2.700 30.00 30.00 1000.000  0.00
1:SER_26:HB*       1:ASN_27:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:ASN_27:HA        1:LYS+_28:HN       -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:ASN_27:HN        1:LYS+_28:HN       -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:ASN_27:HB*       1:LYS+_28:HN       -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:LYS+_28:HA       1:GLY_29:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:LYS+_28:HN       1:GLY_29:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:LYS+_28:HB*      1:GLY_29:HN        -1.000  3.300  3.300 30.00 30.00 1000.000  0.00
1:LYS+_28:HD*      1:GLY_29:HN        -1.000  6.000  6.000 30.00 30.00 1000.000  0.00
1:GLY_29:HA*       1:ALA_30:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:GLY_29:HN        1:ALA_30:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:ALA_30:HN        1:ILE_31:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:ALA_30:HA        1:ILE_31:HN        -1.000  2.700  2.700 30.00 30.00 1000.000  0.00
1:ILE_31:HN        1:ILE_32:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:ILE_31:HA        1:ILE_32:HN        -1.000  2.700  2.700 30.00 30.00 1000.000  0.00
1:ILE_31:HB        1:ILE_32:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:ILE_32:HN        1:GLY_33:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:ILE_32:HA        1:GLY_33:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:ILE_32:HD1*      1:GLY_33:HN        -1.000  6.000  6.000 30.00 30.00 1000.000  0.00
1:ILE_32:HG*       1:GLY_33:HN        -1.000  6.000  6.000 30.00 30.00 1000.000  0.00
1:GLY_33:HN        1:LEU_34:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:GLY_33:HA*       1:LEU_34:HN        -1.000  3.300  3.300 30.00 30.00 1000.000  0.00
1:LEU_34:HN        1:MET_35:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:LEU_34:HA        1:MET_35:HN        -1.000  2.700  2.700 30.00 30.00 1000.000  0.00
1:LEU_34:HG        1:MET_35:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:MET_35:HN        1:VAL_36:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:MET_35:HA        1:VAL_36:HN        -1.000  2.700  2.700 30.00 30.00 1000.000  0.00
1:MET_35:HB*       1:VAL_36:HN        -1.000  6.000  6.000 30.00 30.00 1000.000  0.00
1:VAL_36:HN        1:GLY_37:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:VAL_36:HA        1:GLY_37:HN        -1.000  2.700  2.700 30.00 30.00 1000.000  0.00
1:VAL_36:HB        1:GLY_37:HN        -1.000  6.000  6.000 30.00 30.00 1000.000  0.00
1:GLY_37:HN        1:GLY_38:HN        -1.000  3.300  3.300 30.00 30.00 1000.000  0.00
1:GLY_37:HA*       1:GLY_38:HN        -1.000  3.300  3.300 30.00 30.00 1000.000  0.00
1:GLY_38:HN        1:VAL_39:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:GLY_38:HA*       1:VAL_39:HN        -1.000  3.300  3.300 30.00 30.00 1000.000  0.00
1:GLY_38:HA*       1:VAL_39:HG1*      -1.000  8.000  8.000 30.00 30.00 1000.000  0.00
1:VAL_39:HN        1:VALC_40:HN       -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:VAL_39:HA        1:VALC_40:HN       -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:VAL_39:HG1*      1:VALC_40:HN       -1.000  8.000  8.000 30.00 30.00 1000.000  0.00
1:ALA_2:HA         1:PHE_4:HD*        -1.000  7.000  7.000 30.00 30.00 1000.000  0.00
1:TYR_10:HA        1:VAL_12:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:TYR_10:HB*       1:VAL_12:HG1*      -1.000  7.000  7.000 30.00 30.00 1000.000  0.00
1:TYR_10:HD*       1:VAL_12:HG1*      -1.000  7.000  7.000 30.00 30.00 1000.000  0.00
1:GLN_15:HG*       1:VAL_12:HG1*      -1.000  7.000  7.000 30.00 30.00 1000.000  0.00
1:GLN_15:HG*       1:PHE_19:HA        -1.000  6.000  6.000 30.00 30.00 1000.000  0.00
1:LEU_17:HD*       1:PHE_19:HA        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:VAL_18:HG1*      1:PHE_20:HN        -1.000  7.000  7.000 30.00 30.00 1000.000  0.00
1:VAL_18:HG1*      1:PHE_20:HD*       -1.000  7.000  7.000 30.00 30.00 1000.000  0.00
1:PHE_19:HB*       1:ALA_21:HN        -1.000  6.000  6.000 30.00 30.00 1000.000  0.00
1:PHE_20:HD*       1:VAL_24:HG1*      -1.000  7.000  7.000 30.00 30.00 1000.000  0.00
1:PHE_20:HB*       1:GLU-_22:HA       -1.000  6.000  6.000 30.00 30.00 1000.000  0.00
1:VAL_24:HA        1:SER_26:HN        -1.000  6.000  6.000 30.00 30.00 1000.000  0.00
1:VAL_24:HG1*      1:SER_26:HN        -1.000  6.000  6.000 30.00 30.00 1000.000  0.00
1:SER_26:HN        1:LYS+_28:HG*      -1.000  6.000  6.000 30.00 30.00 1000.000  0.00
1:SER_26:HN        1:LYS+_28:HD*      -1.000  6.000  6.000 30.00 30.00 1000.000  0.00
1:LYS+_28:HA       1:ALA_30:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:ILE_32:HD1*      1:LEU_34:HN        -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:CPEN_1G:H1311    1:BDGL_1F:H1       -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:CPEN_1G:H11      1:BDGL_1F:H1       -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:CPEN_1G:H3       1:BENZ_1C:H1*      -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:CPEN_1G:H3       1:BENZ_1B:H1*      -1.000  4.300  3.300 30.00 30.00 1000.000  0.00
1:CPEN_1G:H33      1:BENZ_1B:H1*      -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:CPEN_1G:H33      1:BENZ_1C:H1*      -1.000  4.300  3.300 30.00 30.00 1000.000  0.00
1:TYR_10:HD*       1:CPEN_1G:H33      -1.000  6.000  6.000 30.00 30.00 1000.000  0.00
1:TYR_10:HD*       1:BENZ_1C:H1*      -1.000  6.000  6.000 30.00 30.00 1000.000  0.00
1:GLN_15:HG*       1:BENZ_1B:H1*      -1.000  6.000  6.000 30.00 30.00 1000.000  0.00
1:CPEN_1M:H1311    1:BDGL_1H:H1       -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:CPEN_1M:H11      1:BDGL_1H:H1       -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:CPEN_1M:H3       1:BENZ_1K:H1       -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:CPEN_1M:H3       1:BENZ_1L:H1       -1.000  4.300  3.300 30.00 30.00 1000.000  0.00
1:CPEN_1M:H33      1:BENZ_1L:H1       -1.000  5.000  5.000 30.00 30.00 1000.000  0.00
1:CPEN_1M:H33      1:BENZ_1K:H1       -1.000  4.300  3.300 30.00 30.00 1000.000  0.00
1:LYS+_28:HG*      1:BENZ_1I:H1*      -1.000  6.000  6.000 30.00 30.00 1000.000  0.00
1:ILE_31:HD1*      1:BENZ_1I:H6*      -1.000  6.000  6.000 30.00 30.00 1000.000  0.00
!
#NMR_dihedral
1:AP-N_1:CA        1:AP-N_1:C         1:ALA_2:N          1:ALA_2:CA         180.000 180.000 100.00 100.00 1000.000
1:ALA_2:CA         1:ALA_2:C          1:GLU-_3:N         1:GLU-_3:CA        180.000 180.000 100.00 100.00 1000.000
1:GLU-_3:CA        1:GLU-_3:C         1:PHE_4:N          1:PHE_4:CA         180.000 180.000 100.00 100.00 1000.000
1:PHE_4:CA         1:PHE_4:C          1:ARG+_5:N         1:ARG+_5:CA        180.000 180.000 100.00 100.00 1000.000
1:ARG+_5:CA        1:ARG+_5:C         1:HIS_6:N          1:HIS_6:CA         180.000 180.000 100.00 100.00 1000.000
1:HIS_6:CA         1:HIS_6:C          1:ASP-_7:N         1:ASP-_7:CA        180.000 180.000 100.00 100.00 1000.000
1:ASP-_7:CA        1:ASP-_7:C         1:SER_8:N          1:SER_8:CA         180.000 180.000 100.00 100.00 1000.000
1:SER_8:CA         1:SER_8:C          1:GLY_9:N          1:GLY_9:CA         180.000 180.000 100.00 100.00 1000.000
1:GLY_9:CA         1:GLY_9:C          1:TYR_10:N         1:TYR_10:CA        180.000 180.000 100.00 100.00 1000.000
1:TYR_10:CA        1:TYR_10:C         1:GLU-_11:N        1:GLU-_11:CA       180.000 180.000 100.00 100.00 1000.000
1:GLU-_11:CA       1:GLU-_11:C        1:VAL_12:N         1:VAL_12:CA        180.000 180.000 100.00 100.00 1000.000
1:VAL_12:CA        1:VAL_12:C         1:HIS_13:N         1:HIS_13:CA        180.000 180.000 100.00 100.00 1000.000
1:HIS_13:CA        1:HIS_13:C         1:HIS_14:N         1:HIS_14:CA        180.000 180.000 100.00 100.00 1000.000
1:HIS_14:CA        1:HIS_14:C         1:GLN_15:N         1:GLN_15:CA        180.000 180.000 100.00 100.00 1000.000
1:GLN_15:CA        1:GLN_15:C         1:LYS+_16:N        1:LYS+_16:CA       180.000 180.000 100.00 100.00 1000.000
1:LYS+_16:CA       1:LYS+_16:C        1:LEU_17:N         1:LEU_17:CA        180.000 180.000 100.00 100.00 1000.000
1:LEU_17:CA        1:LEU_17:C         1:VAL_18:N         1:VAL_18:CA        180.000 180.000 100.00 100.00 1000.000
1:VAL_18:CA        1:VAL_18:C         1:PHE_19:N         1:PHE_19:CA        180.000 180.000 100.00 100.00 1000.000
1:PHE_19:CA        1:PHE_19:C         1:PHE_20:N         1:PHE_20:CA        180.000 180.000 100.00 100.00 1000.000
1:PHE_20:CA        1:PHE_20:C         1:ALA_21:N         1:ALA_21:CA        180.000 180.000 100.00 100.00 1000.000
1:ALA_21:CA        1:ALA_21:C         1:GLU-_22:N        1:GLU-_22:CA       180.000 180.000 100.00 100.00 1000.000
1:GLU-_22:CA       1:GLU-_22:C        1:ASP-_23:N        1:ASP-_23:CA       180.000 180.000 100.00 100.00 1000.000
1:ASP-_23:CA       1:ASP-_23:C        1:VAL_24:N         1:VAL_24:CA        180.000 180.000 100.00 100.00 1000.000
1:VAL_24:CA        1:VAL_24:C         1:GLY_25:N         1:GLY_25:CA        180.000 180.000 100.00 100.00 1000.000
1:GLY_25:CA        1:GLY_25:C         1:SER_26:N         1:SER_26:CA        180.000 180.000 100.00 100.00 1000.000
1:SER_26:CA        1:SER_26:C         1:ASN_27:N         1:ASN_27:CA        180.000 180.000 100.00 100.00 1000.000
1:ASN_27:CA        1:ASN_27:C         1:LYS+_28:N        1:LYS+_28:CA       180.000 180.000 100.00 100.00 1000.000
1:LYS+_28:CA       1:LYS+_28:C        1:GLY_29:N         1:GLY_29:CA        180.000 180.000 100.00 100.00 1000.000
1:GLY_29:CA        1:GLY_29:C         1:ALA_30:N         1:ALA_30:CA        180.000 180.000 100.00 100.00 1000.000
1:ALA_30:CA        1:ALA_30:C         1:ILE_31:N         1:ILE_31:CA        180.000 180.000 100.00 100.00 1000.000
1:ILE_31:CA        1:ILE_31:C         1:ILE_32:N         1:ILE_32:CA        180.000 180.000 100.00 100.00 1000.000
1:ILE_32:CA        1:ILE_32:C         1:GLY_33:N         1:GLY_33:CA        180.000 180.000 100.00 100.00 1000.000
1:GLY_33:CA        1:GLY_33:C         1:LEU_34:N         1:LEU_34:CA        180.000 180.000 100.00 100.00 1000.000
1:LEU_34:CA        1:LEU_34:C         1:MET_35:N         1:MET_35:CA        180.000 180.000 100.00 100.00 1000.000
1:MET_35:CA        1:MET_35:C         1:VAL_36:N         1:VAL_36:CA        180.000 180.000 100.00 100.00 1000.000
1:VAL_36:CA        1:VAL_36:C         1:GLY_37:N         1:GLY_37:CA        180.000 180.000 100.00 100.00 1000.000
1:GLY_37:CA        1:GLY_37:C         1:GLY_38:N         1:GLY_38:CA        180.000 180.000 100.00 100.00 1000.000
1:GLY_38:CA        1:GLY_38:C         1:VAL_39:N         1:VAL_39:CA        180.000 180.000 100.00 100.00 1000.000
1:VAL_39:CA        1:VAL_39:C         1:VALC_40:N        1:VALC_40:CA       180.000 180.000 100.00 100.00 1000.000
1:CPEN_1M:C131     1:ETEN_1J:C1       1:ETEN_1J:C2       1:BENZ_1I:C5       -180.000 -180.000 100.00 100.00 1000.000
1:CPEN_1G:C131     1:ETEN_1D:C1       1:ETEN_1D:C2       1:BENZ_1E:C5       -180.000 -180.000 100.00 100.00 1000.000
1:CPEN_1G:C1311    1:CPEN_1G:C131     1:ETEN_1D:C1       1:ETEN_1D:C2        0.000  0.000 100.00 100.00 1000.000
1:ETEN_1D:C1       1:ETEN_1D:C2       1:BENZ_1E:C5       1:BENZ_1E:C6        0.000  0.000 100.00 100.00 1000.000
1:CPEN_1M:C1311    1:CPEN_1M:C131     1:ETEN_1J:C1       1:ETEN_1J:C2        0.000  0.000 100.00 100.00 1000.000
1:ETEN_1J:C1       1:ETEN_1J:C2       1:BENZ_1I:C5       1:BENZ_1I:C6        0.000  0.000 100.00 100.00 1000.000


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ASP   1           1H       ASP   1  30.705  55.308  -5.360
    2    H2   ASP   1           2H       ASP   1  30.255  56.306  -6.611
    3    H3   ASP   1           3H       ASP   1  29.418  56.330  -5.184
    4    HA   ASP   1           HA       ASP   1  32.228  57.200  -5.544
    5    HB2  ASP   1           1HB      ASP   1  30.347  58.627  -6.608
    6    HB3  ASP   1           2HB      ASP   1  29.700  58.900  -4.988
    7    H    ALA   2           H        ALA   2  33.361  57.018  -3.686
    8    HA   ALA   2           HA       ALA   2  31.993  56.249  -1.089
    9    HB1  ALA   2           1HB      ALA   2  33.904  54.846  -1.881
   10    HB2  ALA   2           2HB      ALA   2  34.315  55.663  -0.359
   11    HB3  ALA   2           3HB      ALA   2  34.979  56.273  -1.889
   12    H    GLU   3           H        GLU   3  31.772  57.613   0.535
   13    HA   GLU   3           HA       GLU   3  33.385  60.223   0.677
   14    HB2  GLU   3           1HB      GLU   3  30.979  60.479  -0.171
   15    HB3  GLU   3           2HB      GLU   3  30.407  59.884   1.383
   16    HG2  GLU   3           1HG      GLU   3  31.611  61.897   2.506
   17    HG3  GLU   3           2HG      GLU   3  32.071  62.460   0.894
   18    H    PHE   4           H        PHE   4  34.667  60.023   2.375
   19    HA   PHE   4           HA       PHE   4  33.987  58.218   4.730
   20    HB2  PHE   4           2HB      PHE   4  36.600  59.677   4.009
   21    HB3  PHE   4           1HB      PHE   4  36.371  58.789   5.484
   22    HD1  PHE   4           HD1      PHE   4  36.219  56.290   5.509
   23    HD2  PHE   4           HD2      PHE   4  36.791  58.424   1.817
   24    HE1  PHE   4           HE1      PHE   4  36.906  54.203   4.397
   25    HE2  PHE   4           HE2      PHE   4  37.472  56.329   0.721
   26    HZ   PHE   4           HZ       PHE   4  37.533  54.217   2.006
   27    H    ARG   5           H        ARG   5  33.073  59.028   6.484
   28    HA   ARG   5           HA       ARG   5  32.964  62.030   6.999
   29    HB2  ARG   5           2HB      ARG   5  31.429  59.707   8.298
   30    HB3  ARG   5           1HB      ARG   5  31.366  61.356   8.884
   31    HG2  ARG   5           2HG      ARG   5  30.465  62.187   6.693
   32    HG3  ARG   5           1HG      ARG   5  30.547  60.570   6.006
   33    HD2  ARG   5           2HD      ARG   5  28.909  59.750   7.835
   34    HD3  ARG   5           1HD      ARG   5  28.839  61.380   8.459
   35    HE   ARG   5           HE       ARG   5  27.718  62.207   6.406
   36   HH11  ARG   5          1HH1      ARG   5  28.131  58.747   6.325
   37   HH12  ARG   5          2HH1      ARG   5  26.851  58.568   5.030
   38   HH21  ARG   5          2HH2      ARG   5  26.319  61.956   4.923
   39   HH22  ARG   5          1HH2      ARG   5  25.892  60.307   4.287
   40    H    HIS   6           H        HIS   6  34.397  62.907   8.274
   41    HA   HIS   6           HA       HIS   6  36.020  61.254  10.291
   42    HB2  HIS   6           1HB      HIS   6  36.617  63.964   8.937
   43    HB3  HIS   6           2HB      HIS   6  37.542  63.335  10.276
   44    HD2  HIS   6           HD2      HIS   6  37.002  62.747   6.495
   45    HE1  HIS   6           HE1      HIS   6  40.171  60.295   7.668
   46    HE2  HIS   6           HE2      HIS   6  38.949  61.169   5.568
   47    H    ASP   7           H        ASP   7  35.405  61.446  12.311
   48    HA   ASP   7           HA       ASP   7  34.242  64.075  13.405
   49    HB2  ASP   7           1HB      ASP   7  33.099  61.249  13.879
   50    HB3  ASP   7           2HB      ASP   7  32.704  62.643  14.869
   51    H    SER   8           H        SER   8  35.489  60.928  14.681
   52    HA   SER   8           HA       SER   8  37.303  62.545  16.556
   53    HB2  SER   8           2HB      SER   8  35.555  60.169  17.448
   54    HB3  SER   8           1HB      SER   8  36.826  60.927  18.420
   55    HG   SER   8           HG       SER   8  34.689  61.765  18.810
   56    H    GLY   9           H        GLY   9  39.320  61.932  16.338
   57    HA2  GLY   9           1HA      GLY   9  40.595  59.406  16.563
   58    HA3  GLY   9           2HA      GLY   9  40.107  59.398  14.877
   59    H    TYR  10           H        TYR  10  41.977  61.188  17.241
   60    HA   TYR  10           HA       TYR  10  43.515  62.706  15.118
   61    HB2  TYR  10           2HB      TYR  10  43.791  62.688  18.191
   62    HB3  TYR  10           1HB      TYR  10  44.864  63.568  17.150
   63    HD1  TYR  10           HD1      TYR  10  44.116  65.593  15.899
   64    HD2  TYR  10           HD2      TYR  10  41.412  63.464  18.479
   65    HE1  TYR  10           HE1      TYR  10  42.572  67.518  15.892
   66    HE2  TYR  10           HE2      TYR  10  39.880  65.393  18.447
   67    HH   TYR  10           HH       TYR  10  39.518  67.436  17.704
   68    H    GLU  11           H        GLU  11  45.267  61.958  14.171
   69    HA   GLU  11           HA       GLU  11  46.921  59.653  15.285
   70    HB2  GLU  11           2HB      GLU  11  46.961  61.164  12.595
   71    HB3  GLU  11           1HB      GLU  11  48.149  59.954  13.027
   72    HG2  GLU  11           2HG      GLU  11  46.387  58.175  13.232
   73    HG3  GLU  11           1HG      GLU  11  45.131  59.343  12.816
   74    H    VAL  12           H        VAL  12  47.068  62.929  15.786
   75    HA   VAL  12           HA       VAL  12  49.847  62.790  16.857
   76    HB   VAL  12           HB       VAL  12  50.633  64.957  15.782
   77   HG11  VAL  12          1HG2      VAL  12  51.724  63.891  13.857
   78   HG12  VAL  12          2HG2      VAL  12  50.540  62.570  13.850
   79   HG13  VAL  12          3HG2      VAL  12  51.666  62.744  15.213
   80   HG21  VAL  12          1HG1      VAL  12  48.610  64.342  13.531
   81   HG22  VAL  12          2HG1      VAL  12  48.522  65.732  14.633
   82   HG23  VAL  12          3HG1      VAL  12  49.878  65.592  13.498
   83    H    HIS  13           H        HIS  13  49.648  63.683  18.806
   84    HA   HIS  13           HA       HIS  13  47.859  66.154  19.174
   85    HB2  HIS  13           1HB      HIS  13  46.741  64.047  20.027
   86    HB3  HIS  13           2HB      HIS  13  48.019  63.848  21.206
   87    HD2  HIS  13           HD2      HIS  13  44.857  65.916  20.454
   88    HE1  HIS  13           HE1      HIS  13  46.261  67.263  24.146
   89    HE2  HIS  13           HE2      HIS  13  44.247  67.464  22.542
   90    H    HIS  14           H        HIS  14  50.114  64.550  21.465
   91    HA   HIS  14           HA       HIS  14  52.039  66.899  21.092
   92    HB2  HIS  14           1HB      HIS  14  50.421  67.399  23.001
   93    HB3  HIS  14           2HB      HIS  14  51.042  66.012  23.870
   94    HD2  HIS  14           HD2      HIS  14  53.549  66.259  24.962
   95    HE1  HIS  14           HE1      HIS  14  54.075  70.314  24.121
   96    HE2  HIS  14           HE2      HIS  14  55.088  68.379  25.495
   97    H    GLN  15           H        GLN  15  53.202  65.380  19.904
   98    HA   GLN  15           HA       GLN  15  55.180  63.898  21.561
   99    HB2  GLN  15           2HB      GLN  15  55.088  61.724  20.566
  100    HB3  GLN  15           1HB      GLN  15  53.596  62.101  21.382
  101    HG2  GLN  15           2HG      GLN  15  52.444  62.470  19.146
  102    HG3  GLN  15           1HG      GLN  15  53.935  62.093  18.297
  103   HE21  GLN  15          1HE2      GLN  15  54.483  59.859  18.109
  104   HE22  GLN  15          2HE2      GLN  15  53.382  58.555  18.813
  105    H    LYS  16           H        LYS  16  57.097  64.468  20.802
  106    HA   LYS  16           HA       LYS  16  57.331  65.870  18.154
  107    HB2  LYS  16           1HB      LYS  16  58.305  66.698  20.349
  108    HB3  LYS  16           2HB      LYS  16  59.480  65.390  20.287
  109    HG2  LYS  16           2HG      LYS  16  60.349  66.306  18.088
  110    HG3  LYS  16           1HG      LYS  16  59.189  67.618  18.137
  111    HD2  LYS  16           1HD      LYS  16  61.279  67.115  20.364
  112    HD3  LYS  16           2HD      LYS  16  61.688  68.019  18.941
  113    HE2  LYS  16           2HE      LYS  16  59.404  68.878  20.867
  114    HE3  LYS  16           1HE      LYS  16  61.080  69.360  21.076
  115    HZ1  LYS  16           2HZ      LYS  16  61.032  70.422  18.826
  116    HZ2  LYS  16           3HZ      LYS  16  59.470  69.988  18.600
  117    HZ3  LYS  16           1HZ      LYS  16  59.861  71.076  19.770
  118    H    LEU  17           H        LEU  17  56.745  63.987  16.968
  119    HA   LEU  17           HA       LEU  17  59.007  62.851  15.506
  120    HB2  LEU  17           1HB      LEU  17  58.654  60.477  15.664
  121    HB3  LEU  17           2HB      LEU  17  59.225  61.105  17.175
  122    HG   LEU  17           HG       LEU  17  56.222  60.530  16.775
  123   HD11  LEU  17          2HD1      LEU  17  56.576  58.211  17.642
  124   HD12  LEU  17          3HD1      LEU  17  57.437  58.429  16.110
  125   HD13  LEU  17          1HD1      LEU  17  58.338  58.445  17.644
  126   HD21  LEU  17          1HD2      LEU  17  56.311  60.116  19.277
  127   HD22  LEU  17          2HD2      LEU  17  58.049  60.466  19.287
  128   HD23  LEU  17          3HD2      LEU  17  56.885  61.745  18.884
  129    H    VAL  18           H        VAL  18  58.375  62.225  13.455
  130    HA   VAL  18           HA       VAL  18  55.588  62.955  12.618
  131    HB   VAL  18           HB       VAL  18  57.493  63.743  11.342
  132   HG11  VAL  18          1HG1      VAL  18  59.043  61.731  11.344
  133   HG12  VAL  18          2HG1      VAL  18  58.769  62.403   9.728
  134   HG13  VAL  18          3HG1      VAL  18  57.946  60.904  10.217
  135   HG21  VAL  18          1HG2      VAL  18  55.634  62.005   9.611
  136   HG22  VAL  18          2HG2      VAL  18  56.544  63.445   9.099
  137   HG23  VAL  18          3HG2      VAL  18  55.232  63.608  10.276
  138    H    PHE  19           H        PHE  19  54.218  61.529  13.455
  139    HA   PHE  19           HA       PHE  19  54.546  58.759  13.860
  140    HB2  PHE  19           1HB      PHE  19  52.793  60.295  14.899
  141    HB3  PHE  19           2HB      PHE  19  51.869  60.232  13.425
  142    HD1  PHE  19           HD2      PHE  19  53.073  58.208  16.333
  143    HD2  PHE  19           HD1      PHE  19  50.438  58.266  12.940
  144    HE1  PHE  19           HE2      PHE  19  51.876  56.243  17.222
  145    HE2  PHE  19           HE1      PHE  19  49.271  56.290  13.818
  146    HZ   PHE  19           HZ       PHE  19  49.979  55.277  15.962
  147    H    PHE  20           H        PHE  20  54.129  56.889  12.825
  148    HA   PHE  20           HA       PHE  20  53.597  56.942   9.822
  149    HB2  PHE  20           2HB      PHE  20  54.638  54.690  11.646
  150    HB3  PHE  20           1HB      PHE  20  54.199  54.449   9.983
  151    HD1  PHE  20           HD1      PHE  20  55.560  55.384   8.110
  152    HD2  PHE  20           HD2      PHE  20  56.722  56.025  12.201
  153    HE1  PHE  20           HE1      PHE  20  57.813  56.058   7.375
  154    HE2  PHE  20           HE2      PHE  20  58.967  56.699  11.451
  155    HZ   PHE  20           HZ       PHE  20  59.518  56.715   9.041
  156    H    ALA  21           H        ALA  21  51.550  56.780   9.244
  157    HA   ALA  21           HA       ALA  21  49.328  55.767  10.888
  158    HB1  ALA  21           1HB      ALA  21  48.027  56.207   8.781
  159    HB2  ALA  21           2HB      ALA  21  49.532  56.380   7.846
  160    HB3  ALA  21           3HB      ALA  21  49.113  57.546   9.138
  161    H    GLU  22           H        GLU  22  47.941  53.935  10.480
  162    HA   GLU  22           HA       GLU  22  49.422  51.446   9.817
  163    HB2  GLU  22           2HB      GLU  22  47.650  50.195  10.693
  164    HB3  GLU  22           1HB      GLU  22  48.037  51.515  11.768
  165    HG2  GLU  22           1HG      GLU  22  45.908  52.735  11.001
  166    HG3  GLU  22           2HG      GLU  22  45.541  51.377   9.938
  167    H    ASP  23           H        ASP  23  49.777  52.399   7.670
  168    HA   ASP  23           HA       ASP  23  48.576  50.491   5.717
  169    HB2  ASP  23           2HB      ASP  23  46.987  52.518   5.551
  170    HB3  ASP  23           1HB      ASP  23  48.342  53.490   4.993
  171    H    VAL  24           H        VAL  24  50.576  49.660   5.510
  172    HA   VAL  24           HA       VAL  24  52.786  51.288   4.215
  173    HB   VAL  24           HB       VAL  24  53.387  49.651   6.747
  174   HG11  VAL  24          1HG1      VAL  24  55.268  49.561   5.035
  175   HG12  VAL  24          2HG1      VAL  24  55.336  51.340   5.018
  176   HG13  VAL  24          3HG1      VAL  24  55.746  50.437   6.496
  177   HG21  VAL  24          1HG2      VAL  24  54.126  51.777   7.835
  178   HG22  VAL  24          2HG2      VAL  24  53.645  52.721   6.400
  179   HG23  VAL  24          3HG2      VAL  24  52.422  51.901   7.385
  180    H    GLY  25           H        GLY  25  52.617  50.164   2.388
  181    HA2  GLY  25           1HA      GLY  25  53.310  47.187   2.288
  182    HA3  GLY  25           2HA      GLY  25  51.682  47.622   1.784
  183    H    SER  26           H        SER  26  55.063  48.019   1.104
  184    HA   SER  26           HA       SER  26  54.517  49.255  -1.657
  185    HB2  SER  26           1HB      SER  26  57.126  49.009  -0.045
  186    HB3  SER  26           2HB      SER  26  56.995  49.748  -1.651
  187    HG   SER  26           HG       SER  26  55.456  50.608   0.582
  188    H    ASN  27           H        ASN  27  55.182  48.227  -3.500
  189    HA   ASN  27           HA       ASN  27  55.545  45.266  -3.450
  190    HB2  ASN  27           2HB      ASN  27  55.576  47.248  -5.818
  191    HB3  ASN  27           1HB      ASN  27  55.762  45.521  -5.982
  192   HD21  ASN  27          2HD2      ASN  27  53.406  48.003  -5.230
  193   HD22  ASN  27          1HD2      ASN  27  51.992  46.830  -5.368
  194    H    LYS  28           H        LYS  28  57.399  44.354  -2.987
  195    HA   LYS  28           HA       LYS  28  60.042  45.377  -4.131
  196    HB2  LYS  28           1HB      LYS  28  59.521  44.639  -1.174
  197    HB3  LYS  28           2HB      LYS  28  61.126  44.708  -1.870
  198    HG2  LYS  28           2HG      LYS  28  60.897  47.130  -2.409
  199    HG3  LYS  28           1HG      LYS  28  59.236  47.143  -1.815
  200    HD2  LYS  28           2HD      LYS  28  60.051  46.472   0.510
  201    HD3  LYS  28           1HD      LYS  28  61.679  46.347  -0.109
  202    HE2  LYS  28           1HE      LYS  28  61.725  48.424   1.005
  203    HE3  LYS  28           2HE      LYS  28  61.647  48.869  -0.691
  204    HZ1  LYS  28           2HZ      LYS  28  59.180  49.198  -0.407
  205    HZ2  LYS  28           3HZ      LYS  28  59.262  48.764   1.172
  206    HZ3  LYS  28           1HZ      LYS  28  59.986  50.150   0.662
  207    H    GLY  29           H        GLY  29  61.448  43.795  -4.691
  208    HA2  GLY  29           1HA      GLY  29  61.308  40.960  -3.900
  209    HA3  GLY  29           2HA      GLY  29  60.456  41.135  -5.429
  210    H    ALA  30           H        ALA  30  61.666  41.899  -7.256
  211    HA   ALA  30           HA       ALA  30  64.568  41.047  -7.253
  212    HB1  ALA  30           1HB      ALA  30  64.351  41.234  -9.737
  213    HB2  ALA  30           2HB      ALA  30  63.048  40.234  -9.063
  214    HB3  ALA  30           3HB      ALA  30  62.718  41.914  -9.574
  215    H    ILE  31           H        ILE  31  66.222  42.402  -7.243
  216    HA   ILE  31           HA       ILE  31  65.946  45.322  -8.133
  217    HB   ILE  31           HB       ILE  31  67.393  44.457  -5.568
  218   HG12  ILE  31          2HG1      ILE  31  65.025  46.440  -5.620
  219   HG13  ILE  31          1HG1      ILE  31  64.720  44.731  -5.503
  220   HG21  ILE  31          2HG2      ILE  31  67.064  47.308  -6.754
  221   HG22  ILE  31          3HG2      ILE  31  67.882  46.899  -5.229
  222   HG23  ILE  31          1HG2      ILE  31  68.568  46.360  -6.767
  223   HD11  ILE  31          1HD1      ILE  31  66.354  46.282  -3.414
  224   HD12  ILE  31          2HD1      ILE  31  64.703  45.643  -3.255
  225   HD13  ILE  31          3HD1      ILE  31  66.067  44.520  -3.403
  226    H    ILE  32           H        ILE  32  67.027  45.036 -10.030
  227    HA   ILE  32           HA       ILE  32  69.369  43.163 -10.221
  228    HB   ILE  32           HB       ILE  32  67.639  43.096 -11.962
  229   HG12  ILE  32          1HG1      ILE  32  69.150  43.144 -14.036
  230   HG13  ILE  32          2HG1      ILE  32  70.445  43.763 -13.044
  231   HG21  ILE  32          3HG2      ILE  32  67.103  45.561 -12.220
  232   HG22  ILE  32          1HG2      ILE  32  67.416  44.756 -13.764
  233   HG23  ILE  32          2HG2      ILE  32  68.662  45.802 -13.040
  234   HD11  ILE  32          1HD1      ILE  32  70.629  41.296 -13.385
  235   HD12  ILE  32          2HD1      ILE  32  70.344  41.580 -11.656
  236   HD13  ILE  32          3HD1      ILE  32  69.013  41.026 -12.707
  237    H    GLY  33           H        GLY  33  71.435  43.664 -10.619
  238    HA2  GLY  33           1HA      GLY  33  72.581  46.318 -11.211
  239    HA3  GLY  33           2HA      GLY  33  72.580  46.099  -9.464
  240    H    LEU  34           H        LEU  34  73.696  44.654 -12.489
  241    HA   LEU  34           HA       LEU  34  75.663  42.884 -11.072
  242    HB2  LEU  34           1HB      LEU  34  76.254  41.901 -13.109
  243    HB3  LEU  34           2HB      LEU  34  74.526  41.869 -12.928
  244    HG   LEU  34           HG       LEU  34  75.975  43.880 -14.778
  245   HD11  LEU  34          1HD2      LEU  34  76.539  41.531 -15.464
  246   HD12  LEU  34          2HD2      LEU  34  75.475  42.297 -16.655
  247   HD13  LEU  34          3HD2      LEU  34  74.811  41.106 -15.511
  248   HD21  LEU  34          2HD1      LEU  34  73.576  44.527 -14.317
  249   HD22  LEU  34          3HD1      LEU  34  73.028  42.901 -14.795
  250   HD23  LEU  34          1HD1      LEU  34  73.769  43.998 -15.984
  251    H    MET  35           H        MET  35  77.715  43.292 -10.699
  252    HA   MET  35           HA       MET  35  78.948  45.931 -11.579
  253    HB2  MET  35           2HB      MET  35  78.849  45.182  -9.128
  254    HB3  MET  35           1HB      MET  35  79.983  43.896  -9.515
  255    HG2  MET  35           2HG      MET  35  81.706  45.682 -10.201
  256    HG3  MET  35           1HG      MET  35  80.510  46.934  -9.825
  257    HE1  MET  35           2HE      MET  35  83.397  44.853  -8.420
  258    HE2  MET  35           1HE      MET  35  82.895  44.424  -6.759
  259    HE3  MET  35           3HE      MET  35  82.120  43.622  -8.156
  260    H    VAL  36           H        VAL  36  80.009  45.834 -13.454
  261    HA   VAL  36           HA       VAL  36  81.571  43.313 -14.279
  262    HB   VAL  36           HB       VAL  36  80.558  45.573 -16.078
  263   HG11  VAL  36          1HG1      VAL  36  82.724  44.575 -16.950
  264   HG12  VAL  36          2HG1      VAL  36  81.355  44.197 -18.002
  265   HG13  VAL  36          3HG1      VAL  36  81.998  42.952 -16.906
  266   HG21  VAL  36          1HG2      VAL  36  78.685  44.003 -15.370
  267   HG22  VAL  36          2HG2      VAL  36  79.614  42.616 -15.976
  268   HG23  VAL  36          3HG2      VAL  36  79.036  43.872 -17.100
  269    H    GLY  37           H        GLY  37  83.497  43.582 -13.332
  270    HA2  GLY  37           1HA      GLY  37  85.398  45.726 -14.142
  271    HA3  GLY  37           2HA      GLY  37  84.772  46.068 -12.537
  272    H    GLY  38           H        GLY  38  85.137  44.436 -10.884
  273    HA2  GLY  38           1HA      GLY  38  87.916  43.243 -11.035
  274    HA3  GLY  38           2HA      GLY  38  86.924  43.316  -9.600
  275    H    VAL  39           H        VAL  39  85.047  41.767  -9.557
  276    HA   VAL  39           HA       VAL  39  85.879  39.019 -10.654
  277    HB   VAL  39           HB       VAL  39  83.949  39.661  -8.357
  278   HG11  VAL  39          1HG1      VAL  39  84.992  36.889  -9.273
  279   HG12  VAL  39          2HG1      VAL  39  83.932  37.214  -7.881
  280   HG13  VAL  39          3HG1      VAL  39  83.340  37.496  -9.524
  281   HG21  VAL  39          1HG2      VAL  39  85.657  38.673  -6.819
  282   HG22  VAL  39          2HG2      VAL  39  86.780  38.399  -8.175
  283   HG23  VAL  39          3HG2      VAL  39  86.367  40.050  -7.671
  284    H    VAL  40           H        VAL  40  84.970  38.784 -12.627
  285    HA   VAL  40           HA       VAL  40  82.217  39.930 -13.251
  286    HB   VAL  40           HB       VAL  40  82.579  39.312 -15.595
  287   HG11  VAL  40          1HG1      VAL  40  84.759  41.248 -14.596
  288   HG12  VAL  40          2HG1      VAL  40  83.041  41.646 -14.831
  289   HG13  VAL  40          3HG1      VAL  40  84.039  41.198 -16.225
  290   HG21  VAL  40          1HG2      VAL  40  84.351  37.530 -15.439
  291   HG22  VAL  40          2HG2      VAL  40  84.766  38.803 -16.600
  292   HG23  VAL  40          3HG2      VAL  40  85.557  38.763 -15.003
  293   HCG9  23Y 101          HCG9      EVG   1  48.570  62.565  24.999
  294   HCG3  23Y 101          HCG3      EVG   1  46.731  59.475  22.346
  295   HCG7  23Y 101          HCG7      EVG   1  44.781  64.502  25.180
  296   HCG4  23Y 101          HCG4      EVG   1  45.926  62.006  20.818
  297   HCB1  23Y 101          HCB1      EVG   1  49.027  61.735  20.434
  298   HCB2  23Y 101          HCB2      EVG   1  50.122  61.042  18.334
  299   HOB3  23Y 101          HOB3      EVG   1  49.242  58.079  16.643
  300   HCB4  23Y 101          HCB4      EVG   1  47.679  57.542  18.179
  301   HCB5  23Y 101          HCB5      EVG   1  46.567  58.204  20.268
  302   HCC1  23Y 101          HCC1      EVG   1  44.102  59.951  23.477
  303   HOC2  23Y 101          HOC2      EVG   1  41.137  58.127  22.863
  304   HCC3  23Y 101          HCC3      EVG   1  41.237  58.491  20.656
  305   HOC4  23Y 101          HOC4      EVG   1  43.167  59.741  17.969
  306   HCC5  23Y 101          HCC5      EVG   1  44.542  60.827  19.296
  307   HCD1  23Y 101          HCD1      EVG   1  43.402  62.915  21.943
  308   HCD2  23Y 101          HCD2      EVG   1  42.859  64.834  24.219
  309   HCE1  23Y 101          HCE1      EVG   1  39.208  63.726  20.107
  310   HOE2  23Y 101          HOE2      EVG   1  37.097  66.118  21.646
  311   HCE3  23Y 101          HCE3      EVG   1  38.571  66.544  23.263
  312   HCE4  23Y 101          HCE4      EVG   1  40.775  66.029  24.193
  313   HCE6  23Y 101          HCE6      EVG   1  41.429  63.201  20.999
  314   HCF5  23Y 101          HCF5      EVG   1  45.383  62.328  29.423
  315   HCF1  23Y 101          HCF1      EVG   1  47.291  62.826  27.761
  316   HCF2  23Y 101          HCF2      EVG   1  47.166  65.834  28.410
  317   HOF2  23Y 101          HOF2      EVG   1  49.215  63.909  28.862
  318   HCF3  23Y 101          HCF3      EVG   1  47.585  63.554  30.438
  319   HOF3  23Y 101          HOF3      EVG   1  47.470  65.268  31.863
  320   HCF4  23Y 101          HCF4      EVG   1  45.080  65.322  30.126
  321   HOF4  23Y 101          HOF4      EVG   1  45.532  64.531  32.211
  322   HF61  23Y 101          HF61      EVG   1  43.117  62.608  28.387
  323   HF62  23Y 101          HF62      EVG   1  43.020  64.264  28.991
  324   HCF6  23Y 101          HOF6      EVG   1  43.446  63.255  31.134
  325   HCG9  23Y 102          HCG9      EVG   2  72.345  48.139   4.123
  326   HCG3  23Y 102          HCG3      EVG   2  69.497  51.100   2.323
  327   HCG7  23Y 102          HCG7      EVG   2  69.497  45.036   3.403
  328   HCG4  23Y 102          HCG4      EVG   2  67.636  49.730   4.332
  329   HCB1  23Y 102          HCB1      EVG   2  68.115  53.109   2.475
  330   HCB2  23Y 102          HCB2      EVG   2  67.562  55.146   3.744
  331   HOB3  23Y 102          HOB3      EVG   2  68.259  55.416   7.211
  332   HCB4  23Y 102          HCB4      EVG   2  69.131  53.370   7.311
  333   HCB5  23Y 102          HCB5      EVG   2  69.691  51.328   6.062
  334   HCC1  23Y 102          HCC1      EVG   2  65.624  50.680   3.516
  335   HOC2  23Y 102          HOC2      EVG   2  63.675  51.338   2.712
  336   HCC3  23Y 102          HCC3      EVG   2  64.502  50.363  -0.598
  337   HOC4  23Y 102          HOC4      EVG   2  67.680  49.045  -1.462
  338   HCC5  23Y 102          HCC5      EVG   2  68.414  49.150   0.628
  339   HCD1  23Y 102          HCD1      EVG   2  66.487  47.411   3.018
  340   HCD2  23Y 102          HCD2      EVG   2  67.409  44.531   2.980
  341   HCE1  23Y 102          HCE1      EVG   2  62.085  46.148   2.251
  342   HOE2  23Y 102          HOE2      EVG   2  61.319  42.706   1.934
  343   HCE3  23Y 102          HCE3      EVG   2  63.440  42.091   2.237
  344   HCE4  23Y 102          HCE4      EVG   2  65.732  42.837   2.651
  345   HCE6  23Y 102          HCE6      EVG   2  64.374  46.935   2.614
  346   HCF5  23Y 102          HCF5      EVG   2  70.765  41.767   4.044
  347   HCF1  23Y 102          HCF1      EVG   2  71.741  43.867   2.885
  348   HCF2  23Y 102          HCF2      EVG   2  73.924  44.129   5.054
  349   HOF2  23Y 102          HOF2      EVG   2  74.395  45.013   3.021
  350   HCF3  23Y 102          HCF3      EVG   2  73.370  41.677   3.292
  351   HOF3  23Y 102          HOF3      EVG   2  74.799  40.790   4.892
  352   HCF4  23Y 102          HCF4      EVG   2  72.854  41.941   6.322
  353   HOF4  23Y 102          HOF4      EVG   2  72.131  39.928   4.452
  354   HF61  23Y 102          HF61      EVG   2  70.409  42.215   7.071
  355   HF62  23Y 102          HF62      EVG   2  69.139  42.398   5.856
  356   HCF6  23Y 102          HOF6      EVG   2  69.183  40.304   6.853
  Start of MODEL    2
    1    H1   ASP   1           1H       ASP   1  63.354  29.459   3.468
    2    H2   ASP   1           2H       ASP   1  64.039  28.827   2.130
    3    H3   ASP   1           3H       ASP   1  63.244  30.298   2.027
    4    HA   ASP   1           HA       ASP   1  61.878  28.459   1.124
    5    HB2  ASP   1           1HB      ASP   1  61.134  26.648   2.605
    6    HB3  ASP   1           2HB      ASP   1  62.867  26.644   2.380
    7    H    ALA   2           H        ALA   2  59.937  29.360   0.810
    8    HA   ALA   2           HA       ALA   2  58.815  31.336   2.808
    9    HB1  ALA   2           1HB      ALA   2  57.951  30.641  -0.078
   10    HB2  ALA   2           2HB      ALA   2  59.001  32.003   0.411
   11    HB3  ALA   2           3HB      ALA   2  57.301  31.958   0.920
   12    H    GLU   3           H        GLU   3  57.143  30.923   4.076
   13    HA   GLU   3           HA       GLU   3  55.662  28.277   3.946
   14    HB2  GLU   3           1HB      GLU   3  56.788  29.166   6.064
   15    HB3  GLU   3           2HB      GLU   3  55.600  30.464   6.107
   16    HG2  GLU   3           1HG      GLU   3  53.744  28.660   6.291
   17    HG3  GLU   3           2HG      GLU   3  55.006  27.424   6.308
   18    H    PHE   4           H        PHE   4  53.897  28.273   2.728
   19    HA   PHE   4           HA       PHE   4  52.315  30.795   2.116
   20    HB2  PHE   4           2HB      PHE   4  52.103  27.951   0.953
   21    HB3  PHE   4           1HB      PHE   4  51.011  29.237   0.545
   22    HD1  PHE   4           HD1      PHE   4  51.726  31.183  -0.854
   23    HD2  PHE   4           HD2      PHE   4  54.492  28.031   0.112
   24    HE1  PHE   4           HE1      PHE   4  53.242  31.953  -2.635
   25    HE2  PHE   4           HE2      PHE   4  55.993  28.813  -1.672
   26    HZ   PHE   4           HZ       PHE   4  55.374  30.773  -3.048
   27    H    ARG   5           H        ARG   5  50.561  31.317   3.226
   28    HA   ARG   5           HA       ARG   5  49.234  29.364   5.155
   29    HB2  ARG   5           1HB      ARG   5  48.887  32.399   4.780
   30    HB3  ARG   5           2HB      ARG   5  47.891  31.434   5.851
   31    HG2  ARG   5           1HG      ARG   5  49.885  30.732   7.202
   32    HG3  ARG   5           2HG      ARG   5  50.962  31.637   6.146
   33    HD2  ARG   5           2HD      ARG   5  49.690  33.805   6.765
   34    HD3  ARG   5           1HD      ARG   5  48.664  32.865   7.823
   35    HE   ARG   5           HE       ARG   5  50.556  32.349   9.339
   36   HH11  ARG   5          1HH2      ARG   5  51.503  34.573   6.825
   37   HH12  ARG   5          2HH2      ARG   5  52.967  35.114   7.778
   38   HH21  ARG   5          2HH1      ARG   5  52.233  32.970  10.354
   39   HH22  ARG   5          1HH1      ARG   5  53.345  34.236   9.671
   40    H    HIS   6           H        HIS   6  47.515  28.253   4.510
   41    HA   HIS   6           HA       HIS   6  46.106  28.831   1.938
   42    HB2  HIS   6           2HB      HIS   6  46.782  26.504   2.827
   43    HB3  HIS   6           1HB      HIS   6  45.485  26.627   3.999
   44    HD2  HIS   6           HD2      HIS   6  46.132  26.300   0.165
   45    HE1  HIS   6           HE1      HIS   6  42.118  25.348   0.786
   46    HE2  HIS   6           HE2      HIS   6  43.941  25.361  -1.040
   47    H    ASP   7           H        ASP   7  44.961  28.843   5.381
   48    HA   ASP   7           HA       ASP   7  42.334  30.027   4.525
   49    HB2  ASP   7           1HB      ASP   7  41.609  29.821   6.818
   50    HB3  ASP   7           2HB      ASP   7  42.207  28.306   6.191
   51    H    SER   8           H        SER   8  42.068  32.103   4.267
   52    HA   SER   8           HA       SER   8  44.031  34.142   5.345
   53    HB2  SER   8           2HB      SER   8  41.660  34.481   3.406
   54    HB3  SER   8           1HB      SER   8  42.777  35.757   3.875
   55    HG   SER   8           HG       SER   8  44.502  34.348   3.069
   56    H    GLY   9           H        GLY   9  43.681  35.224   7.159
   57    HA2  GLY   9           1HA      GLY   9  41.060  35.098   8.669
   58    HA3  GLY   9           2HA      GLY   9  42.554  35.786   9.255
   59    H    TYR  10           H        TYR  10  39.873  36.383   7.082
   60    HA   TYR  10           HA       TYR  10  39.950  39.374   7.775
   61    HB2  TYR  10           1HB      TYR  10  39.726  38.224   4.916
   62    HB3  TYR  10           2HB      TYR  10  39.225  39.835   5.330
   63    HD1  TYR  10           HD2      TYR  10  40.857  41.635   5.875
   64    HD2  TYR  10           HD1      TYR  10  42.188  37.661   4.935
   65    HE1  TYR  10           HE2      TYR  10  43.146  42.474   5.558
   66    HE2  TYR  10           HE1      TYR  10  44.485  38.513   4.614
   67    HH   TYR  10           HH       TYR  10  45.255  41.946   5.058
   68    H    GLU  11           H        GLU  11  38.108  39.720   8.792
   69    HA   GLU  11           HA       GLU  11  35.492  38.630   7.654
   70    HB2  GLU  11           1HB      GLU  11  34.563  38.028   9.741
   71    HB3  GLU  11           2HB      GLU  11  36.014  37.111   9.419
   72    HG2  GLU  11           2HG      GLU  11  37.287  38.505  11.135
   73    HG3  GLU  11           1HG      GLU  11  35.820  39.430  11.464
   74    H    VAL  12           H        VAL  12  35.255  40.537   6.633
   75    HA   VAL  12           HA       VAL  12  33.961  42.693   8.284
   76    HB   VAL  12           HB       VAL  12  34.972  44.597   7.041
   77   HG11  VAL  12          1HG2      VAL  12  35.641  44.103   9.408
   78   HG12  VAL  12          2HG2      VAL  12  37.012  43.141   8.825
   79   HG13  VAL  12          3HG2      VAL  12  36.945  44.887   8.491
   80   HG21  VAL  12          1HG1      VAL  12  37.196  44.505   6.008
   81   HG22  VAL  12          2HG1      VAL  12  36.119  43.438   5.110
   82   HG23  VAL  12          3HG1      VAL  12  37.308  42.745   6.235
   83    H    HIS  13           H        HIS  13  32.009  42.773   7.458
   84    HA   HIS  13           HA       HIS  13  31.408  41.893   4.653
   85    HB2  HIS  13           2HB      HIS  13  29.540  42.846   6.910
   86    HB3  HIS  13           1HB      HIS  13  28.980  42.409   5.317
   87    HD2  HIS  13           HD2      HIS  13  30.284  40.770   8.559
   88    HE1  HIS  13           HE1      HIS  13  29.185  37.663   6.004
   89    HE2  HIS  13           HE2      HIS  13  29.908  38.132   8.434
   90    H    HIS  14           H        HIS  14  30.842  45.047   6.309
   91    HA   HIS  14           HA       HIS  14  31.233  46.432   3.618
   92    HB2  HIS  14           1HB      HIS  14  28.776  46.904   5.427
   93    HB3  HIS  14           2HB      HIS  14  29.293  48.032   4.197
   94    HD2  HIS  14           HD2      HIS  14  29.016  47.330   1.561
   95    HE1  HIS  14           HE1      HIS  14  26.605  43.994   2.231
   96    HE2  HIS  14           HE2      HIS  14  27.426  45.560   0.353
   97    H    GLN  15           H        GLN  15  32.850  47.762   3.936
   98    HA   GLN  15           HA       GLN  15  33.045  49.463   6.486
   99    HB2  GLN  15           1HB      GLN  15  34.617  47.410   6.518
  100    HB3  GLN  15           2HB      GLN  15  35.415  48.057   5.102
  101    HG2  GLN  15           2HG      GLN  15  36.820  48.725   6.888
  102    HG3  GLN  15           1HG      GLN  15  35.963  50.196   6.514
  103   HE21  GLN  15          2HE2      GLN  15  36.376  47.665   8.903
  104   HE22  GLN  15          1HE2      GLN  15  35.441  48.570  10.207
  105    H    LYS  16           H        LYS  16  32.639  51.459   5.703
  106    HA   LYS  16           HA       LYS  16  33.758  52.302   2.963
  107    HB2  LYS  16           1HB      LYS  16  32.103  53.914   2.667
  108    HB3  LYS  16           2HB      LYS  16  31.364  52.362   2.967
  109    HG2  LYS  16           2HG      LYS  16  30.787  53.107   5.345
  110    HG3  LYS  16           1HG      LYS  16  31.518  54.677   5.010
  111    HD2  LYS  16           1HD      LYS  16  29.910  55.043   3.098
  112    HD3  LYS  16           2HD      LYS  16  29.131  53.509   3.396
  113    HE2  LYS  16           1HE      LYS  16  29.282  55.798   5.505
  114    HE3  LYS  16           2HE      LYS  16  28.002  55.693   4.308
  115    HZ1  LYS  16           2HZ      LYS  16  27.302  54.570   6.402
  116    HZ2  LYS  16           3HZ      LYS  16  28.570  53.525   6.331
  117    HZ3  LYS  16           1HZ      LYS  16  27.385  53.452   5.203
  118    H    LEU  17           H        LEU  17  35.714  52.186   4.285
  119    HA   LEU  17           HA       LEU  17  36.738  54.929   4.831
  120    HB2  LEU  17           2HB      LEU  17  35.639  54.219   7.043
  121    HB3  LEU  17           1HB      LEU  17  36.786  52.915   7.199
  122    HG   LEU  17           HG       LEU  17  37.669  55.872   6.961
  123   HD11  LEU  17          2HD1      LEU  17  37.035  54.349   9.578
  124   HD12  LEU  17          3HD1      LEU  17  36.076  55.683   8.894
  125   HD13  LEU  17          1HD1      LEU  17  37.728  55.983   9.457
  126   HD21  LEU  17          1HD2      LEU  17  39.113  53.458   8.279
  127   HD22  LEU  17          2HD2      LEU  17  39.715  55.132   8.215
  128   HD23  LEU  17          3HD2      LEU  17  39.560  54.202   6.733
  129    H    VAL  18           H        VAL  18  38.804  54.867   3.977
  130    HA   VAL  18           HA       VAL  18  39.992  52.286   3.091
  131    HB   VAL  18           HB       VAL  18  41.965  53.507   2.298
  132   HG11  VAL  18          1HG2      VAL  18  40.907  54.520   0.331
  133   HG12  VAL  18          2HG2      VAL  18  39.344  54.659   1.172
  134   HG13  VAL  18          3HG2      VAL  18  40.018  53.057   0.788
  135   HG21  VAL  18          1HG1      VAL  18  42.021  55.549   3.780
  136   HG22  VAL  18          2HG1      VAL  18  42.071  55.950   2.060
  137   HG23  VAL  18          3HG1      VAL  18  40.562  56.171   2.977
  138    H    PHE  19           H        PHE  19  40.732  50.927   4.553
  139    HA   PHE  19           HA       PHE  19  42.006  51.805   7.109
  140    HB2  PHE  19           1HB      PHE  19  40.457  49.772   6.823
  141    HB3  PHE  19           2HB      PHE  19  41.751  48.956   5.993
  142    HD1  PHE  19           HD1      PHE  19  43.816  48.227   7.289
  143    HD2  PHE  19           HD2      PHE  19  40.542  50.190   9.270
  144    HE1  PHE  19           HE1      PHE  19  44.653  47.441   9.468
  145    HE2  PHE  19           HE2      PHE  19  41.402  49.411  11.443
  146    HZ   PHE  19           HZ       PHE  19  43.452  48.034  11.546
  147    H    PHE  20           H        PHE  20  43.996  52.608   6.996
  148    HA   PHE  20           HA       PHE  20  46.073  51.503   5.059
  149    HB2  PHE  20           1HB      PHE  20  45.586  54.044   5.329
  150    HB3  PHE  20           2HB      PHE  20  46.360  53.959   6.888
  151    HD1  PHE  20           HD1      PHE  20  48.873  53.514   7.009
  152    HD2  PHE  20           HD2      PHE  20  46.861  53.788   3.216
  153    HE1  PHE  20           HE1      PHE  20  51.038  53.797   5.871
  154    HE2  PHE  20           HE2      PHE  20  49.034  54.073   2.094
  155    HZ   PHE  20           HZ       PHE  20  51.123  54.083   3.416
  156    H    ALA  21           H        ALA  21  47.179  49.822   5.821
  157    HA   ALA  21           HA       ALA  21  47.696  49.238   8.707
  158    HB1  ALA  21           1HB      ALA  21  49.042  47.340   7.771
  159    HB2  ALA  21           2HB      ALA  21  47.444  47.414   6.994
  160    HB3  ALA  21           3HB      ALA  21  48.898  47.998   6.135
  161    H    GLU  22           H        GLU  22  49.341  50.066   9.906
  162    HA   GLU  22           HA       GLU  22  51.177  52.044   8.759
  163    HB2  GLU  22           1HB      GLU  22  51.862  52.612  10.929
  164    HB3  GLU  22           2HB      GLU  22  50.124  52.455  10.850
  165    HG2  GLU  22           1HG      GLU  22  50.278  50.224  12.105
  166    HG3  GLU  22           2HG      GLU  22  52.030  50.403  12.175
  167    H    ASP  23           H        ASP  23  51.984  50.453   7.265
  168    HA   ASP  23           HA       ASP  23  54.916  50.113   7.776
  169    HB2  ASP  23           2HB      ASP  23  55.118  47.789   7.068
  170    HB3  ASP  23           1HB      ASP  23  54.278  47.937   8.592
  171    H    VAL  24           H        VAL  24  55.352  51.561   6.217
  172    HA   VAL  24           HA       VAL  24  53.842  51.534   3.617
  173    HB   VAL  24           HB       VAL  24  54.201  53.636   4.877
  174   HG11  VAL  24          1HG2      VAL  24  56.280  54.958   4.699
  175   HG12  VAL  24          2HG2      VAL  24  56.646  53.431   5.526
  176   HG13  VAL  24          3HG2      VAL  24  57.109  53.646   3.824
  177   HG21  VAL  24          1HG1      VAL  24  54.472  55.075   2.903
  178   HG22  VAL  24          2HG1      VAL  24  53.522  53.645   2.468
  179   HG23  VAL  24          3HG1      VAL  24  55.230  53.761   1.977
  180    H    GLY  25           H        GLY  25  54.617  51.159   1.633
  181    HA2  GLY  25           1HA      GLY  25  56.417  50.548  -0.052
  182    HA3  GLY  25           2HA      GLY  25  57.450  50.007   1.249
  183    H    SER  26           H        SER  26  54.676  49.201  -0.699
  184    HA   SER  26           HA       SER  26  54.905  46.236   0.115
  185    HB2  SER  26           1HB      SER  26  52.480  46.050   0.041
  186    HB3  SER  26           2HB      SER  26  52.914  47.347   1.142
  187    HG   SER  26           HG       SER  26  52.081  47.630  -1.581
  188    H    ASN  27           H        ASN  27  56.296  47.353  -2.049
  189    HA   ASN  27           HA       ASN  27  55.500  45.344  -4.141
  190    HB2  ASN  27           1HB      ASN  27  54.278  47.465  -4.854
  191    HB3  ASN  27           2HB      ASN  27  55.808  48.307  -5.000
  192   HD21  ASN  27          2HD2      ASN  27  57.109  47.794  -6.874
  193   HD22  ASN  27          1HD2      ASN  27  56.415  46.717  -8.202
  194    H    LYS  28           H        LYS  28  57.334  44.341  -3.347
  195    HA   LYS  28           HA       LYS  28  60.041  45.410  -4.195
  196    HB2  LYS  28           2HB      LYS  28  59.343  44.680  -1.272
  197    HB3  LYS  28           1HB      LYS  28  60.990  44.736  -1.859
  198    HG2  LYS  28           1HG      LYS  28  60.943  47.129  -2.286
  199    HG3  LYS  28           2HG      LYS  28  59.202  47.227  -2.067
  200    HD2  LYS  28           1HD      LYS  28  59.361  46.588   0.316
  201    HD3  LYS  28           2HD      LYS  28  61.095  46.386   0.233
  202    HE2  LYS  28           1HE      LYS  28  59.654  49.082  -0.377
  203    HE3  LYS  28           2HE      LYS  28  60.113  48.605   1.250
  204    HZ1  LYS  28           2HZ      LYS  28  61.914  49.964   0.223
  205    HZ2  LYS  28           3HZ      LYS  28  62.486  48.450   0.496
  206    HZ3  LYS  28           1HZ      LYS  28  62.081  48.906  -1.024
  207    H    GLY  29           H        GLY  29  61.446  43.806  -4.697
  208    HA2  GLY  29           1HA      GLY  29  61.283  40.994  -3.874
  209    HA3  GLY  29           2HA      GLY  29  60.444  41.133  -5.413
  210    H    ALA  30           H        ALA  30  61.667  41.806  -7.253
  211    HA   ALA  30           HA       ALA  30  64.593  41.031  -7.171
  212    HB1  ALA  30           1HB      ALA  30  63.108  40.051  -8.924
  213    HB2  ALA  30           2HB      ALA  30  64.389  41.034  -9.661
  214    HB3  ALA  30           3HB      ALA  30  62.735  41.678  -9.556
  215    H    ILE  31           H        ILE  31  66.207  42.448  -7.213
  216    HA   ILE  31           HA       ILE  31  65.896  45.203  -8.439
  217    HB   ILE  31           HB       ILE  31  65.372  45.512  -6.053
  218   HG12  ILE  31          2HG1      ILE  31  67.132  47.363  -5.547
  219   HG13  ILE  31          1HG1      ILE  31  67.904  46.932  -7.058
  220   HG21  ILE  31          2HG2      ILE  31  66.845  43.776  -4.971
  221   HG22  ILE  31          3HG2      ILE  31  66.993  45.375  -4.227
  222   HG23  ILE  31          1HG2      ILE  31  68.271  44.784  -5.312
  223   HD11  ILE  31          1HD1      ILE  31  64.980  47.941  -6.703
  224   HD12  ILE  31          2HD1      ILE  31  66.353  48.887  -7.310
  225   HD13  ILE  31          3HD1      ILE  31  65.711  47.547  -8.281
  226    H    ILE  32           H        ILE  32  67.085  44.596 -10.173
  227    HA   ILE  32           HA       ILE  32  69.714  43.183  -9.839
  228    HB   ILE  32           HB       ILE  32  68.183  42.450 -11.608
  229   HG12  ILE  32          1HG1      ILE  32  69.811  42.322 -13.560
  230   HG13  ILE  32          2HG1      ILE  32  70.890  43.409 -12.724
  231   HG21  ILE  32          3HG2      ILE  32  67.248  44.665 -12.414
  232   HG22  ILE  32          1HG2      ILE  32  67.833  43.642 -13.733
  233   HG23  ILE  32          2HG2      ILE  32  68.807  45.029 -13.188
  234   HD11  ILE  32          1HD1      ILE  32  71.589  41.031 -12.454
  235   HD12  ILE  32          2HD1      ILE  32  70.015  40.586 -11.763
  236   HD13  ILE  32          3HD1      ILE  32  71.133  41.637 -10.852
  237    H    GLY  33           H        GLY  33  71.698  43.927 -10.450
  238    HA2  GLY  33           1HA      GLY  33  72.150  46.926 -10.906
  239    HA3  GLY  33           2HA      GLY  33  72.844  46.241  -9.448
  240    H    LEU  34           H        LEU  34  74.325  44.348  -9.811
  241    HA   LEU  34           HA       LEU  34  76.222  44.927 -12.121
  242    HB2  LEU  34           1HB      LEU  34  76.552  43.130  -9.634
  243    HB3  LEU  34           2HB      LEU  34  77.720  43.228 -10.916
  244    HG   LEU  34           HG       LEU  34  78.517  44.415  -9.054
  245   HD11  LEU  34          1HD2      LEU  34  79.150  45.350 -11.300
  246   HD12  LEU  34          2HD2      LEU  34  79.198  46.557 -10.005
  247   HD13  LEU  34          3HD2      LEU  34  77.847  46.560 -11.160
  248   HD21  LEU  34          2HD1      LEU  34  76.378  45.087  -7.929
  249   HD22  LEU  34          3HD1      LEU  34  76.176  46.407  -9.111
  250   HD23  LEU  34          1HD1      LEU  34  77.568  46.400  -8.007
  251    H    MET  35           H        MET  35  76.640  43.474 -13.749
  252    HA   MET  35           HA       MET  35  74.800  41.083 -14.052
  253    HB2  MET  35           2HB      MET  35  75.346  40.962 -16.349
  254    HB3  MET  35           1HB      MET  35  74.800  42.562 -15.916
  255    HG2  MET  35           2HG      MET  35  77.199  43.415 -16.055
  256    HG3  MET  35           1HG      MET  35  77.737  41.804 -16.548
  257    HE1  MET  35           2HE      MET  35  77.846  41.087 -19.028
  258    HE2  MET  35           1HE      MET  35  76.526  41.426 -20.183
  259    HE3  MET  35           3HE      MET  35  76.188  40.499 -18.693
  260    H    VAL  36           H        VAL  36  75.518  39.554 -12.731
  261    HA   VAL  36           HA       VAL  36  78.381  38.454 -13.055
  262    HB   VAL  36           HB       VAL  36  76.427  37.995 -10.739
  263   HG11  VAL  36          1HG1      VAL  36  77.924  35.982 -11.117
  264   HG12  VAL  36          2HG1      VAL  36  78.299  36.800  -9.597
  265   HG13  VAL  36          3HG1      VAL  36  79.362  37.022 -11.007
  266   HG21  VAL  36          1HG2      VAL  36  77.478  40.307 -10.651
  267   HG22  VAL  36          2HG2      VAL  36  79.097  39.579 -10.724
  268   HG23  VAL  36          3HG2      VAL  36  78.037  39.278  -9.323
  269    H    GLY  37           H        GLY  37  78.190  37.180 -14.782
  270    HA2  GLY  37           1HA      GLY  37  76.562  34.648 -14.738
  271    HA3  GLY  37           2HA      GLY  37  75.891  35.849 -15.835
  272    H    GLY  38           H        GLY  38  78.703  33.911 -15.142
  273    HA2  GLY  38           1HA      GLY  38  79.357  33.340 -17.985
  274    HA3  GLY  38           2HA      GLY  38  80.398  34.631 -17.393
  275    H    VAL  39           H        VAL  39  79.510  31.281 -16.961
  276    HA   VAL  39           HA       VAL  39  82.230  30.729 -15.727
  277    HB   VAL  39           HB       VAL  39  80.677  31.002 -13.850
  278   HG11  VAL  39          1HG2      VAL  39  79.278  28.361 -14.624
  279   HG12  VAL  39          2HG2      VAL  39  79.015  29.332 -13.163
  280   HG13  VAL  39          3HG2      VAL  39  78.539  29.978 -14.744
  281   HG21  VAL  39          1HG1      VAL  39  81.835  28.154 -14.007
  282   HG22  VAL  39          2HG1      VAL  39  81.463  29.080 -12.531
  283   HG23  VAL  39          3HG1      VAL  39  82.753  29.629 -13.615
  284    H    VAL  40           H        VAL  40  79.397  28.728 -16.820
  285    HA   VAL  40           HA       VAL  40  81.061  27.671 -19.032
  286    HB   VAL  40           HB       VAL  40  80.553  25.269 -18.653
  287   HG11  VAL  40          1HG2      VAL  40  82.507  24.753 -17.224
  288   HG12  VAL  40          2HG2      VAL  40  82.483  26.395 -16.536
  289   HG13  VAL  40          3HG2      VAL  40  82.861  26.157 -18.254
  290   HG21  VAL  40          1HG1      VAL  40  78.805  25.365 -16.849
  291   HG22  VAL  40          2HG1      VAL  40  80.027  25.910 -15.679
  292   HG23  VAL  40          3HG1      VAL  40  80.147  24.288 -16.414
  293   HCG9  23Y 101          HCG9      EVG   1  42.006  47.579  -1.000
  294   HCG3  23Y 101          HCG3      EVG   1  39.022  46.241   2.072
  295   HCG7  23Y 101          HCG7      EVG   1  41.574  43.801  -2.942
  296   HCG4  23Y 101          HCG4      EVG   1  40.941  43.854   2.157
  297   HCB1  23Y 101          HCB1      EVG   1  42.527  46.209   3.424
  298   HCB2  23Y 101          HCB2      EVG   1  43.040  46.317   5.835
  299   HOB3  23Y 101          HOB3      EVG   1  40.479  46.156   8.284
  300   HCB4  23Y 101          HCB4      EVG   1  38.885  45.899   6.758
  301   HCB5  23Y 101          HCB5      EVG   1  38.352  45.767   4.357
  302   HCC1  23Y 101          HCC1      EVG   1  37.717  44.598   0.231
  303   HOC2  23Y 101          HOC2      EVG   1  35.627  44.019  -0.254
  304   HCC3  23Y 101          HCC3      EVG   1  35.519  41.578   2.305
  305   HOC4  23Y 101          HOC4      EVG   1  36.576  40.552   3.939
  306   HCC5  23Y 101          HCC5      EVG   1  39.550  42.414   3.456
  307   HCD1  23Y 101          HCD1      EVG   1  40.062  41.985   0.095
  308   HCD2  23Y 101          HCD2      EVG   1  40.933  41.740  -2.793
  309   HCE1  23Y 101          HCE1      EVG   1  38.765  37.518   0.196
  310   HOE2  23Y 101          HOE2      EVG   1  39.265  35.530  -2.698
  311   HCE3  23Y 101          HCE3      EVG   1  40.133  37.222  -3.850
  312   HCE4  23Y 101          HCE4      EVG   1  40.760  39.585  -3.831
  313   HCE6  23Y 101          HCE6      EVG   1  39.377  39.889   0.248
  314   HCF5  23Y 101          HCF5      EVG   1  42.794  50.183  -3.388
  315   HCF1  23Y 101          HCF1      EVG   1  43.619  47.784  -2.956
  316   HCF2  23Y 101          HCF2      EVG   1  42.725  46.893  -5.771
  317   HOF2  23Y 101          HOF2      EVG   1  44.410  45.725  -4.789
  318   HCF3  23Y 101          HCF3      EVG   1  44.651  49.195  -5.135
  319   HOF3  23Y 101          HOF3      EVG   1  44.513  49.473  -7.328
  320   HCF4  23Y 101          HCF4      EVG   1  41.777  49.466  -6.213
  321   HOF4  23Y 101          HOF4      EVG   1  43.201  51.094  -6.803
  322   HF61  23Y 101          HF61      EVG   1  39.945  50.186  -4.559
  323   HF62  23Y 101          HF62      EVG   1  40.928  51.636  -4.273
  324   HCF6  23Y 101          HOF6      EVG   1  39.490  51.097  -2.525
  325   HCG9  23Y 102          HCG9      EVG   2  65.988  58.466  -6.974
  326   HCG3  23Y 102          HCG3      EVG   2  62.638  58.599  -9.943
  327   HCG7  23Y 102          HCG7      EVG   2  64.871  54.464  -5.980
  328   HCG4  23Y 102          HCG4      EVG   2  61.110  57.634  -7.470
  329   HCB1  23Y 102          HCB1      EVG   2  60.572  59.572 -10.803
  330   HCB2  23Y 102          HCB2      EVG   2  58.990  61.460 -10.734
  331   HOB3  23Y 102          HOB3      EVG   2  58.756  63.578  -7.898
  332   HCB4  23Y 102          HCB4      EVG   2  60.334  62.463  -6.792
  333   HCB5  23Y 102          HCB5      EVG   2  61.918  60.584  -6.843
  334   HCC1  23Y 102          HCC1      EVG   2  59.108  57.067  -8.598
  335   HOC2  23Y 102          HOC2      EVG   2  57.269  56.267  -9.534
  336   HCC3  23Y 102          HCC3      EVG   2  59.083  54.441 -11.963
  337   HOC4  23Y 102          HOC4      EVG   2  61.074  53.892 -12.795
  338   HCC5  23Y 102          HCC5      EVG   2  62.814  55.846 -10.412
  339   HCD1  23Y 102          HCD1      EVG   2  61.303  54.728  -7.414
  340   HCD2  23Y 102          HCD2      EVG   2  63.300  52.937  -6.020
  341   HCE1  23Y 102          HCE1      EVG   2  58.091  51.355  -7.397
  342   HOE2  23Y 102          HOE2      EVG   2  58.781  48.328  -5.674
  343   HCE3  23Y 102          HCE3      EVG   2  60.932  48.916  -5.325
  344   HCE4  23Y 102          HCE4      EVG   2  62.574  50.735  -5.400
  345   HCE6  23Y 102          HCE6      EVG   2  59.708  53.193  -7.491
  346   HCF5  23Y 102          HCF5      EVG   2  67.251  52.797  -3.907
  347   HCF1  23Y 102          HCF1      EVG   2  67.479  54.381  -5.958
  348   HCF2  23Y 102          HCF2      EVG   2  68.795  56.541  -4.200
  349   HOF2  23Y 102          HOF2      EVG   2  70.582  55.951  -5.580
  350   HCF3  23Y 102          HCF3      EVG   2  69.742  53.629  -4.551
  351   HOF3  23Y 102          HOF3      EVG   2  70.529  55.672  -2.748
  352   HCF4  23Y 102          HCF4      EVG   2  68.527  54.884  -2.014
  353   HOF4  23Y 102          HOF4      EVG   2  68.629  52.673  -1.388
  354   HF61  23Y 102          HF61      EVG   2  66.518  52.567  -1.508
  355   HF62  23Y 102          HF62      EVG   2  66.097  54.289  -1.463
  356   HCF6  23Y 102          HOF6      EVG   2  64.693  53.854  -3.265
  Start of MODEL    3
    1    H1   ASP   1           1H       ASP   1  83.879  57.340  -7.457
    2    H2   ASP   1           2H       ASP   1  83.090  58.798  -7.541
    3    H3   ASP   1           3H       ASP   1  82.379  57.505  -6.802
    4    HA   ASP   1           HA       ASP   1  83.130  59.038  -5.141
    5    HB2  ASP   1           2HB      ASP   1  83.018  56.481  -4.875
    6    HB3  ASP   1           1HB      ASP   1  84.757  56.406  -5.170
    7    H    ALA   2           H        ALA   2  86.157  57.780  -6.812
    8    HA   ALA   2           HA       ALA   2  87.806  59.816  -5.583
    9    HB1  ALA   2           1HB      ALA   2  88.654  57.606  -6.307
   10    HB2  ALA   2           2HB      ALA   2  88.394  58.021  -8.026
   11    HB3  ALA   2           3HB      ALA   2  89.594  58.904  -7.060
   12    H    GLU   3           H        GLU   3  86.571  59.881  -8.995
   13    HA   GLU   3           HA       GLU   3  87.529  62.802  -9.112
   14    HB2  GLU   3           1HB      GLU   3  88.000  62.690 -11.390
   15    HB3  GLU   3           2HB      GLU   3  88.885  61.448 -10.538
   16    HG2  GLU   3           1HG      GLU   3  87.264  59.681 -11.470
   17    HG3  GLU   3           2HG      GLU   3  86.420  60.956 -12.355
   18    H    PHE   4           H        PHE   4  85.623  63.324  -8.028
   19    HA   PHE   4           HA       PHE   4  83.379  64.046  -9.971
   20    HB2  PHE   4           1HB      PHE   4  82.924  62.619  -7.270
   21    HB3  PHE   4           2HB      PHE   4  81.684  63.565  -8.039
   22    HD1  PHE   4           HD1      PHE   4  83.715  60.485  -8.398
   23    HD2  PHE   4           HD2      PHE   4  80.529  62.790 -10.108
   24    HE1  PHE   4           HE1      PHE   4  83.061  58.551  -9.822
   25    HE2  PHE   4           HE2      PHE   4  79.887  60.865 -11.505
   26    HZ   PHE   4           HZ       PHE   4  81.141  58.743 -11.347
   27    H    ARG   5           H        ARG   5  83.175  66.166  -9.874
   28    HA   ARG   5           HA       ARG   5  84.233  67.760  -7.493
   29    HB2  ARG   5           1HB      ARG   5  83.450  68.680 -10.333
   30    HB3  ARG   5           2HB      ARG   5  83.815  69.757  -9.015
   31    HG2  ARG   5           2HG      ARG   5  85.843  69.755 -10.112
   32    HG3  ARG   5           1HG      ARG   5  86.137  68.669  -8.781
   33    HD2  ARG   5           1HD      ARG   5  87.196  67.588 -10.620
   34    HD3  ARG   5           2HD      ARG   5  85.734  66.684 -10.427
   35    HE   ARG   5           HE       ARG   5  84.787  67.633 -12.484
   36   HH11  ARG   5          1HH2      ARG   5  87.955  68.967 -11.877
   37   HH12  ARG   5          2HH2      ARG   5  88.101  69.553 -13.603
   38   HH21  ARG   5          1HH1      ARG   5  85.004  68.319 -14.419
   39   HH22  ARG   5          2HH1      ARG   5  86.503  69.202 -14.948
   40    H    HIS   6           H        HIS   6  82.823  68.350  -5.987
   41    HA   HIS   6           HA       HIS   6  79.906  68.977  -6.711
   42    HB2  HIS   6           2HB      HIS   6  80.235  66.692  -5.562
   43    HB3  HIS   6           1HB      HIS   6  80.839  67.532  -4.150
   44    HD2  HIS   6           HD2      HIS   6  77.580  66.878  -6.164
   45    HE1  HIS   6           HE1      HIS   6  76.424  68.614  -2.549
   46    HE2  HIS   6           HE2      HIS   6  75.460  67.461  -4.655
   47    H    ASP   7           H        ASP   7  79.771  71.101  -6.501
   48    HA   ASP   7           HA       ASP   7  80.967  72.516  -4.052
   49    HB2  ASP   7           1HB      ASP   7  82.363  72.835  -6.150
   50    HB3  ASP   7           2HB      ASP   7  81.007  73.644  -6.924
   51    H    SER   8           H        SER   8  78.645  73.376  -6.703
   52    HA   SER   8           HA       SER   8  77.034  75.031  -4.914
   53    HB2  SER   8           2HB      SER   8  76.287  73.877  -7.676
   54    HB3  SER   8           1HB      SER   8  75.394  75.142  -6.840
   55    HG   SER   8           HG       SER   8  77.358  76.394  -6.829
   56    H    GLY   9           H        GLY   9  76.534  71.627  -5.721
   57    HA2  GLY   9           1HA      GLY   9  75.151  70.049  -4.468
   58    HA3  GLY   9           2HA      GLY   9  74.488  71.348  -3.511
   59    H    TYR  10           H        TYR  10  72.774  72.575  -4.469
   60    HA   TYR  10           HA       TYR  10  71.294  71.349  -6.839
   61    HB2  TYR  10           2HB      TYR  10  69.993  71.750  -4.067
   62    HB3  TYR  10           1HB      TYR  10  69.077  71.586  -5.535
   63    HD1  TYR  10           HD1      TYR  10  71.256  69.746  -3.156
   64    HD2  TYR  10           HD2      TYR  10  68.919  69.404  -6.746
   65    HE1  TYR  10           HE1      TYR  10  71.292  67.306  -2.944
   66    HE2  TYR  10           HE2      TYR  10  68.977  66.948  -6.534
   67    HH   TYR  10           HH       TYR  10  70.667  65.372  -3.836
   68    H    GLU  11           H        GLU  11  71.022  72.979  -8.187
   69    HA   GLU  11           HA       GLU  11  70.921  75.868  -7.230
   70    HB2  GLU  11           2HB      GLU  11  72.505  75.043  -9.060
   71    HB3  GLU  11           1HB      GLU  11  71.107  74.730 -10.073
   72    HG2  GLU  11           2HG      GLU  11  71.938  76.853 -10.788
   73    HG3  GLU  11           1HG      GLU  11  70.525  77.288  -9.838
   74    H    VAL  12           H        VAL  12  68.882  75.706  -6.251
   75    HA   VAL  12           HA       VAL  12  66.565  76.198  -8.132
   76    HB   VAL  12           HB       VAL  12  64.909  74.933  -6.763
   77   HG11  VAL  12          1HG1      VAL  12  66.924  73.090  -8.176
   78   HG12  VAL  12          2HG1      VAL  12  65.678  74.064  -8.981
   79   HG13  VAL  12          3HG1      VAL  12  65.198  72.760  -7.877
   80   HG21  VAL  12          1HG2      VAL  12  67.232  73.297  -5.566
   81   HG22  VAL  12          2HG2      VAL  12  65.482  73.008  -5.361
   82   HG23  VAL  12          3HG2      VAL  12  66.229  74.447  -4.657
   83    H    HIS  13           H        HIS  13  65.640  78.035  -7.596
   84    HA   HIS  13           HA       HIS  13  66.342  79.457  -5.069
   85    HB2  HIS  13           1HB      HIS  13  64.521  80.290  -7.414
   86    HB3  HIS  13           2HB      HIS  13  64.801  81.293  -6.015
   87    HD2  HIS  13           HD2      HIS  13  66.599  80.099  -9.217
   88    HE1  HIS  13           HE1      HIS  13  69.122  82.868  -7.386
   89    HE2  HIS  13           HE2      HIS  13  68.842  81.505  -9.553
   90    H    HIS  14           H        HIS  14  63.161  78.266  -6.262
   91    HA   HIS  14           HA       HIS  14  62.235  78.094  -3.359
   92    HB2  HIS  14           2HB      HIS  14  60.624  79.510  -5.584
   93    HB3  HIS  14           1HB      HIS  14  59.906  78.942  -4.095
   94    HD2  HIS  14           HD2      HIS  14  60.545  80.210  -1.750
   95    HE1  HIS  14           HE1      HIS  14  62.396  83.505  -3.515
   96    HE2  HIS  14           HE2      HIS  14  61.469  82.666  -1.259
   97    H    GLN  15           H        GLN  15  61.476  76.141  -2.993
   98    HA   GLN  15           HA       GLN  15  60.763  74.251  -5.272
   99    HB2  GLN  15           1HB      GLN  15  62.430  73.655  -3.495
  100    HB3  GLN  15           2HB      GLN  15  61.170  73.749  -2.267
  101    HG2  GLN  15           1HG      GLN  15  59.935  71.828  -3.460
  102    HG3  GLN  15           2HG      GLN  15  61.222  71.774  -4.658
  103   HE21  GLN  15          1HE2      GLN  15  60.374  70.885  -1.426
  104   HE22  GLN  15          2HE2      GLN  15  61.966  70.011  -1.095
  105    H    LYS  16           H        LYS  16  58.800  75.091  -5.923
  106    HA   LYS  16           HA       LYS  16  56.450  75.241  -3.977
  107    HB2  LYS  16           1HB      LYS  16  56.938  77.076  -5.635
  108    HB3  LYS  16           2HB      LYS  16  56.569  75.973  -6.956
  109    HG2  LYS  16           2HG      LYS  16  54.175  75.731  -5.978
  110    HG3  LYS  16           1HG      LYS  16  54.636  76.830  -4.695
  111    HD2  LYS  16           2HD      LYS  16  53.516  78.294  -6.142
  112    HD3  LYS  16           1HD      LYS  16  55.187  78.615  -6.484
  113    HE2  LYS  16           1HE      LYS  16  54.187  78.590  -8.630
  114    HE3  LYS  16           2HE      LYS  16  55.004  77.035  -8.563
  115    HZ1  LYS  16           2HZ      LYS  16  52.646  76.794  -9.359
  116    HZ2  LYS  16           3HZ      LYS  16  52.059  77.463  -7.979
  117    HZ3  LYS  16           1HZ      LYS  16  52.801  76.003  -7.926
  118    H    LEU  17           H        LEU  17  56.695  73.029  -3.533
  119    HA   LEU  17           HA       LEU  17  54.720  71.283  -4.697
  120    HB2  LEU  17           2HB      LEU  17  56.002  69.369  -5.577
  121    HB3  LEU  17           1HB      LEU  17  56.067  70.795  -6.559
  122    HG   LEU  17           HG       LEU  17  58.457  71.226  -5.534
  123   HD11  LEU  17          1HD2      LEU  17  58.226  68.181  -4.940
  124   HD12  LEU  17          2HD2      LEU  17  59.713  69.155  -4.866
  125   HD13  LEU  17          3HD2      LEU  17  58.418  69.440  -3.706
  126   HD21  LEU  17          2HD1      LEU  17  58.011  70.529  -7.919
  127   HD22  LEU  17          3HD1      LEU  17  57.990  68.819  -7.431
  128   HD23  LEU  17          1HD1      LEU  17  59.485  69.772  -7.294
  129    H    VAL  18           H        VAL  18  54.211  69.694  -3.210
  130    HA   VAL  18           HA       VAL  18  55.624  69.912  -0.536
  131    HB   VAL  18           HB       VAL  18  53.102  68.293  -1.114
  132   HG11  VAL  18          1HG1      VAL  18  52.794  68.373   1.380
  133   HG12  VAL  18          2HG1      VAL  18  54.348  67.616   0.997
  134   HG13  VAL  18          3HG1      VAL  18  54.302  69.297   1.571
  135   HG21  VAL  18          1HG2      VAL  18  53.255  71.147   0.097
  136   HG22  VAL  18          2HG2      VAL  18  52.612  70.751  -1.510
  137   HG23  VAL  18          3HG2      VAL  18  51.791  70.145  -0.067
  138    H    PHE  19           H        PHE  19  57.497  68.890  -0.790
  139    HA   PHE  19           HA       PHE  19  58.059  66.528  -2.258
  140    HB2  PHE  19           2HB      PHE  19  60.267  66.543  -1.267
  141    HB3  PHE  19           1HB      PHE  19  59.767  68.146  -1.670
  142    HD1  PHE  19           HD2      PHE  19  59.223  69.821   0.201
  143    HD2  PHE  19           HD1      PHE  19  60.721  65.890   1.094
  144    HE1  PHE  19           HE2      PHE  19  59.846  70.566   2.457
  145    HE2  PHE  19           HE1      PHE  19  61.321  66.647   3.362
  146    HZ   PHE  19           HZ       PHE  19  60.892  68.983   4.044
  147    H    PHE  20           H        PHE  20  58.079  64.404  -1.964
  148    HA   PHE  20           HA       PHE  20  57.928  63.176   0.784
  149    HB2  PHE  20           2HB      PHE  20  56.112  61.624   0.287
  150    HB3  PHE  20           1HB      PHE  20  55.590  63.275   0.357
  151    HD1  PHE  20           HD1      PHE  20  56.138  60.378  -1.950
  152    HD2  PHE  20           HD2      PHE  20  54.575  64.371  -1.611
  153    HE1  PHE  20           HE1      PHE  20  54.984  60.117  -4.109
  154    HE2  PHE  20           HE2      PHE  20  53.417  64.092  -3.766
  155    HZ   PHE  20           HZ       PHE  20  53.622  61.969  -5.021
  156    H    ALA  21           H        ALA  21  59.458  61.699   0.909
  157    HA   ALA  21           HA       ALA  21  60.868  60.553  -1.449
  158    HB1  ALA  21           1HB      ALA  21  62.159  59.316   0.309
  159    HB2  ALA  21           2HB      ALA  21  61.012  59.819   1.557
  160    HB3  ALA  21           3HB      ALA  21  62.027  61.037   0.730
  161    H    GLU  22           H        GLU  22  60.434  58.677  -2.506
  162    HA   GLU  22           HA       GLU  22  57.960  57.158  -1.969
  163    HB2  GLU  22           2HB      GLU  22  60.181  56.765  -4.043
  164    HB3  GLU  22           1HB      GLU  22  58.797  55.703  -3.919
  165    HG2  GLU  22           2HG      GLU  22  57.201  57.606  -4.364
  166    HG3  GLU  22           1HG      GLU  22  58.553  58.729  -4.498
  167    H    ASP  23           H        ASP  23  58.571  56.617   0.208
  168    HA   ASP  23           HA       ASP  23  59.228  53.665   0.333
  169    HB2  ASP  23           1HB      ASP  23  60.762  53.783   2.196
  170    HB3  ASP  23           2HB      ASP  23  61.409  54.599   0.792
  171    H    VAL  24           H        VAL  24  56.944  53.689   0.400
  172    HA   VAL  24           HA       VAL  24  55.889  53.683   3.231
  173    HB   VAL  24           HB       VAL  24  55.506  55.987   2.503
  174   HG11  VAL  24          1HG1      VAL  24  53.802  56.691   0.878
  175   HG12  VAL  24          2HG1      VAL  24  55.027  55.723   0.037
  176   HG13  VAL  24          3HG1      VAL  24  53.443  55.011   0.425
  177   HG21  VAL  24          1HG2      VAL  24  53.185  56.199   3.297
  178   HG22  VAL  24          2HG2      VAL  24  52.855  54.484   2.951
  179   HG23  VAL  24          3HG2      VAL  24  54.019  54.939   4.221
  180    H    GLY  25           H        GLY  25  55.955  51.495   2.992
  181    HA2  GLY  25           1HA      GLY  25  55.194  49.280   2.423
  182    HA3  GLY  25           2HA      GLY  25  53.624  50.024   2.251
  183    H    SER  26           H        SER  26  56.498  50.295   0.170
  184    HA   SER  26           HA       SER  26  54.914  49.651  -2.287
  185    HB2  SER  26           2HB      SER  26  56.745  51.358  -2.259
  186    HB3  SER  26           1HB      SER  26  57.930  50.085  -1.914
  187    HG   SER  26           HG       SER  26  57.716  50.640  -4.183
  188    H    ASN  27           H        ASN  27  55.034  47.863  -3.599
  189    HA   ASN  27           HA       ASN  27  55.810  45.243  -2.359
  190    HB2  ASN  27           2HB      ASN  27  53.678  45.670  -3.724
  191    HB3  ASN  27           1HB      ASN  27  54.670  45.779  -5.163
  192   HD21  ASN  27          2HD2      ASN  27  53.420  43.593  -2.706
  193   HD22  ASN  27          1HD2      ASN  27  53.873  42.088  -3.669
  194    H    LYS  28           H        LYS  28  57.989  45.497  -2.117
  195    HA   LYS  28           HA       LYS  28  59.839  45.658  -4.532
  196    HB2  LYS  28           2HB      LYS  28  60.353  45.661  -1.495
  197    HB3  LYS  28           1HB      LYS  28  61.652  45.610  -2.681
  198    HG2  LYS  28           2HG      LYS  28  61.005  47.816  -3.621
  199    HG3  LYS  28           1HG      LYS  28  59.608  47.910  -2.546
  200    HD2  LYS  28           1HD      LYS  28  61.188  47.848  -0.516
  201    HD3  LYS  28           2HD      LYS  28  62.548  47.707  -1.598
  202    HE2  LYS  28           1HE      LYS  28  62.620  49.980  -1.019
  203    HE3  LYS  28           2HE      LYS  28  61.925  50.015  -2.633
  204    HZ1  LYS  28           2HZ      LYS  28  59.671  50.175  -1.547
  205    HZ2  LYS  28           3HZ      LYS  28  60.339  50.151  -0.054
  206    HZ3  LYS  28           1HZ      LYS  28  60.615  51.433  -1.052
  207    H    GLY  29           H        GLY  29  61.179  44.038  -5.159
  208    HA2  GLY  29           1HA      GLY  29  61.347  41.366  -3.754
  209    HA3  GLY  29           2HA      GLY  29  60.392  41.310  -5.229
  210    H    ALA  30           H        ALA  30  61.477  41.896  -7.226
  211    HA   ALA  30           HA       ALA  30  64.353  41.003  -7.331
  212    HB1  ALA  30           1HB      ALA  30  62.377  41.771  -9.585
  213    HB2  ALA  30           2HB      ALA  30  63.972  41.022  -9.807
  214    HB3  ALA  30           3HB      ALA  30  62.687  40.121  -8.978
  215    H    ILE  31           H        ILE  31  66.062  42.306  -7.539
  216    HA   ILE  31           HA       ILE  31  65.843  45.047  -8.776
  217    HB   ILE  31           HB       ILE  31  67.280  46.158  -7.097
  218   HG12  ILE  31          1HG1      ILE  31  66.448  44.187  -4.902
  219   HG13  ILE  31          2HG1      ILE  31  67.889  43.852  -5.827
  220   HG21  ILE  31          2HG2      ILE  31  64.834  46.630  -7.227
  221   HG22  ILE  31          3HG2      ILE  31  64.504  45.373  -6.020
  222   HG23  ILE  31          1HG2      ILE  31  65.430  46.822  -5.566
  223   HD11  ILE  31          1HD1      ILE  31  67.470  46.454  -4.216
  224   HD12  ILE  31          2HD1      ILE  31  68.522  45.085  -3.786
  225   HD13  ILE  31          3HD1      ILE  31  68.902  46.077  -5.209
  226    H    ILE  32           H        ILE  32  67.402  45.304 -10.234
  227    HA   ILE  32           HA       ILE  32  69.625  43.287 -10.391
  228    HB   ILE  32           HB       ILE  32  70.319  44.331 -12.538
  229   HG12  ILE  32          2HG1      ILE  32  68.518  45.623 -13.849
  230   HG13  ILE  32          1HG1      ILE  32  67.780  46.063 -12.327
  231   HG21  ILE  32          3HG2      ILE  32  68.880  42.298 -12.422
  232   HG22  ILE  32          1HG2      ILE  32  68.559  43.263 -13.868
  233   HG23  ILE  32          2HG2      ILE  32  67.421  43.315 -12.501
  234   HD11  ILE  32          1HD1      ILE  32  70.688  46.766 -13.188
  235   HD12  ILE  32          2HD1      ILE  32  69.285  47.851 -13.299
  236   HD13  ILE  32          3HD1      ILE  32  69.884  47.359 -11.711
  237    H    GLY  33           H        GLY  33  71.759  43.609 -10.253
  238    HA2  GLY  33           1HA      GLY  33  72.908  46.346  -9.477
  239    HA3  GLY  33           2HA      GLY  33  73.037  45.056  -8.291
  240    H    LEU  34           H        LEU  34  74.082  46.173 -11.415
  241    HA   LEU  34           HA       LEU  34  75.989  43.852 -11.849
  242    HB2  LEU  34           2HB      LEU  34  74.576  44.892 -13.726
  243    HB3  LEU  34           1HB      LEU  34  75.512  46.361 -13.545
  244    HG   LEU  34           HG       LEU  34  77.637  44.902 -14.092
  245   HD11  LEU  34          1HD2      LEU  34  75.476  42.930 -15.133
  246   HD12  LEU  34          2HD2      LEU  34  76.590  42.602 -13.783
  247   HD13  LEU  34          3HD2      LEU  34  77.227  42.819 -15.417
  248   HD21  LEU  34          2HD1      LEU  34  77.208  45.093 -16.550
  249   HD22  LEU  34          3HD1      LEU  34  76.614  46.531 -15.700
  250   HD23  LEU  34          1HD1      LEU  34  75.462  45.293 -16.260
  251    H    MET  35           H        MET  35  77.920  43.916 -10.899
  252    HA   MET  35           HA       MET  35  79.130  46.508  -9.873
  253    HB2  MET  35           2HB      MET  35  78.870  44.390  -8.437
  254    HB3  MET  35           1HB      MET  35  80.081  43.615  -9.447
  255    HG2  MET  35           2HG      MET  35  81.142  44.439  -7.405
  256    HG3  MET  35           1HG      MET  35  81.760  45.443  -8.727
  257    HE1  MET  35           2HE      MET  35  81.483  47.905  -5.635
  258    HE2  MET  35           1HE      MET  35  82.565  47.191  -6.867
  259    HE3  MET  35           3HE      MET  35  81.875  46.162  -5.572
  260    H    VAL  36           H        VAL  36  80.472  47.571 -11.179
  261    HA   VAL  36           HA       VAL  36  82.055  46.122 -13.382
  262    HB   VAL  36           HB       VAL  36  81.407  49.103 -13.165
  263   HG11  VAL  36          1HG1      VAL  36  82.407  49.331 -15.439
  264   HG12  VAL  36          2HG1      VAL  36  82.833  47.603 -15.478
  265   HG13  VAL  36          3HG1      VAL  36  83.629  48.702 -14.328
  266   HG21  VAL  36          1HG2      VAL  36  79.969  48.779 -15.183
  267   HG22  VAL  36          2HG2      VAL  36  79.387  47.727 -13.884
  268   HG23  VAL  36          3HG2      VAL  36  80.332  47.034 -15.218
  269    H    GLY  37           H        GLY  37  83.819  45.398 -12.377
  270    HA2  GLY  37           1HA      GLY  37  85.951  47.213 -11.380
  271    HA3  GLY  37           2HA      GLY  37  85.120  46.484 -10.013
  272    H    GLY  38           H        GLY  38  85.209  44.176  -9.811
  273    HA2  GLY  38           1HA      GLY  38  87.786  42.922 -10.883
  274    HA3  GLY  38           2HA      GLY  38  86.844  42.299  -9.552
  275    H    VAL  39           H        VAL  39  84.844  41.142 -10.082
  276    HA   VAL  39           HA       VAL  39  85.006  39.681 -12.750
  277    HB   VAL  39           HB       VAL  39  83.351  38.080 -11.903
  278   HG11  VAL  39          1HG1      VAL  39  84.907  36.735 -10.549
  279   HG12  VAL  39          2HG1      VAL  39  85.805  37.564 -11.832
  280   HG13  VAL  39          3HG1      VAL  39  85.889  38.167 -10.160
  281   HG21  VAL  39          1HG2      VAL  39  82.831  37.749  -9.525
  282   HG22  VAL  39          2HG2      VAL  39  83.728  39.211  -9.055
  283   HG23  VAL  39          3HG2      VAL  39  82.238  39.340 -10.021
  284    H    VAL  40           H        VAL  40  83.766  40.315 -14.378
  285    HA   VAL  40           HA       VAL  40  81.292  42.036 -13.879
  286    HB   VAL  40           HB       VAL  40  81.272  42.594 -16.260
  287   HG11  VAL  40          1HG2      VAL  40  82.991  44.362 -16.201
  288   HG12  VAL  40          2HG2      VAL  40  82.257  44.175 -14.595
  289   HG13  VAL  40          3HG2      VAL  40  83.882  43.516 -14.908
  290   HG21  VAL  40          1HG1      VAL  40  84.130  41.469 -16.567
  291   HG22  VAL  40          2HG1      VAL  40  83.198  42.384 -17.780
  292   HG23  VAL  40          3HG1      VAL  40  82.664  40.768 -17.289
  293   HCG9  23Y 101          HCG9      EVG   1  63.419  66.795   1.711
  294   HCG3  23Y 101          HCG3      EVG   1  65.301  70.119  -0.654
  295   HCG7  23Y 101          HCG7      EVG   1  66.921  66.583   4.146
  296   HCG4  23Y 101          HCG4      EVG   1  67.566  68.061  -0.727
  297   HCB1  23Y 101          HCB1      EVG   1  65.240  66.837  -2.459
  298   HCB2  23Y 101          HCB2      EVG   1  65.324  66.664  -4.919
  299   HOB3  23Y 101          HOB3      EVG   1  66.000  69.498  -6.943
  300   HCB4  23Y 101          HCB4      EVG   1  66.248  70.832  -5.194
  301   HCB5  23Y 101          HCB5      EVG   1  66.166  71.029  -2.748
  302   HCC1  23Y 101          HCC1      EVG   1  69.216  69.536  -1.577
  303   HOC2  23Y 101          HOC2      EVG   1  71.287  72.409  -1.317
  304   HCC3  23Y 101          HCC3      EVG   1  70.104  73.253   0.343
  305   HOC4  23Y 101          HOC4      EVG   1  67.326  72.911   2.507
  306   HCC5  23Y 101          HCC5      EVG   1  66.719  70.975   1.608
  307   HCD1  23Y 101          HCD1      EVG   1  69.196  68.407   1.622
  308   HCD2  23Y 101          HCD2      EVG   1  69.053  67.062   4.326
  309   HCE1  23Y 101          HCE1      EVG   1  73.735  69.282   2.157
  310   HOE2  23Y 101          HOE2      EVG   1  75.354  68.147   5.101
  311   HCE3  23Y 101          HCE3      EVG   1  73.484  67.273   5.928
  312   HCE4  23Y 101          HCE4      EVG   1  71.095  66.880   5.581
  313   HCE6  23Y 101          HCE6      EVG   1  71.343  68.911   1.779
  314   HCF5  23Y 101          HCF5      EVG   1  66.551  64.456   6.969
  315   HCF1  23Y 101          HCF1      EVG   1  65.023  66.227   5.862
  316   HCF2  23Y 101          HCF2      EVG   1  62.946  64.073   5.133
  317   HOF2  23Y 101          HOF2      EVG   1  61.632  65.347   6.427
  318   HCF3  23Y 101          HCF3      EVG   1  64.022  64.661   7.958
  319   HOF3  23Y 101          HOF3      EVG   1  61.965  63.804   7.890
  320   HCF4  23Y 101          HCF4      EVG   1  64.605  62.164   6.255
  321   HOF4  23Y 101          HOF4      EVG   1  65.529  63.146   8.761
  322   HF61  23Y 101          HF61      EVG   1  66.913  62.001   5.135
  323   HF62  23Y 101          HF62      EVG   1  67.618  62.162   6.747
  324   HCF6  23Y 101          HOF6      EVG   1  68.652  64.116   5.949
  325   HCG9  23Y 102          HCG9      EVG   2  73.173  40.358   2.015
  326   HCG3  23Y 102          HCG3      EVG   2  70.143  37.600   0.182
  327   HCG7  23Y 102          HCG7      EVG   2  70.086  43.255   2.561
  328   HCG4  23Y 102          HCG4      EVG   2  69.612  40.118  -1.479
  329   HCB1  23Y 102          HCB1      EVG   2  69.274  36.257  -1.667
  330   HCB2  23Y 102          HCB2      EVG   2  69.720  35.226  -3.859
  331   HOB3  23Y 102          HOB3      EVG   2  72.266  36.456  -6.001
  332   HCB4  23Y 102          HCB4      EVG   2  72.849  38.062  -4.574
  333   HCB5  23Y 102          HCB5      EVG   2  72.419  39.105  -2.389
  334   HCC1  23Y 102          HCC1      EVG   2  67.589  39.373  -2.482
  335   HOC2  23Y 102          HOC2      EVG   2  64.215  38.342  -2.319
  336   HCC3  23Y 102          HCC3      EVG   2  64.321  37.947  -0.128
  337   HOC4  23Y 102          HOC4      EVG   2  66.290  37.965   2.813
  338   HCC5  23Y 102          HCC5      EVG   2  68.093  38.689   1.736
  339   HCD1  23Y 102          HCD1      EVG   2  67.674  41.725  -0.015
  340   HCD2  23Y 102          HCD2      EVG   2  68.117  43.939   2.002
  341   HCE1  23Y 102          HCE1      EVG   2  63.477  43.376  -1.085
  342   HOE2  23Y 102          HOE2      EVG   2  62.034  44.950  -0.593
  343   HCE3  23Y 102          HCE3      EVG   2  64.214  46.562   1.682
  344   HCE4  23Y 102          HCE4      EVG   2  66.410  45.608   2.216
  345   HCE6  23Y 102          HCE6      EVG   2  65.650  42.399  -0.573
  346   HCF5  23Y 102          HCF5      EVG   2  75.635  40.719   4.942
  347   HCF1  23Y 102          HCF1      EVG   2  74.405  42.300   3.102
  348   HCF2  23Y 102          HCF2      EVG   2  73.283  44.362   4.753
  349   HOF2  23Y 102          HOF2      EVG   2  75.206  44.495   3.641
  350   HCF3  23Y 102          HCF3      EVG   2  74.526  43.970   6.955
  351   HOF3  23Y 102          HOF3      EVG   2  72.256  43.797   6.621
  352   HCF4  23Y 102          HCF4      EVG   2  74.444  41.433   7.610
  353   HOF4  23Y 102          HOF4      EVG   2  76.634  41.290   7.074
  354   HF61  23Y 102          HF61      EVG   2  74.268  38.649   5.221
  355   HF62  23Y 102          HF62      EVG   2  73.463  39.344   6.633
  356   HCF6  23Y 102          HOF6      EVG   2  75.251  38.001   7.189
  Start of MODEL    4
    1    H1   ASP   1           1H       ASP   1  66.203  78.352  11.913
    2    H2   ASP   1           2H       ASP   1  64.922  77.383  12.414
    3    H3   ASP   1           3H       ASP   1  64.693  78.713  11.419
    4    HA   ASP   1           HA       ASP   1  64.626  76.742  10.030
    5    HB2  ASP   1           2HB      ASP   1  66.280  77.481   8.382
    6    HB3  ASP   1           1HB      ASP   1  65.427  78.833   9.071
    7    H    ALA   2           H        ALA   2  64.954  74.621  10.389
    8    HA   ALA   2           HA       ALA   2  67.341  73.599  11.889
    9    HB1  ALA   2           1HB      ALA   2  66.096  71.448  11.856
   10    HB2  ALA   2           2HB      ALA   2  64.874  72.126  10.759
   11    HB3  ALA   2           3HB      ALA   2  65.061  72.775  12.411
   12    H    GLU   3           H        GLU   3  66.043  72.777   8.605
   13    HA   GLU   3           HA       GLU   3  68.888  72.489   7.601
   14    HB2  GLU   3           2HB      GLU   3  66.881  70.159   7.374
   15    HB3  GLU   3           1HB      GLU   3  68.333  70.313   6.401
   16    HG2  GLU   3           2HG      GLU   3  69.785  70.231   8.483
   17    HG3  GLU   3           1HG      GLU   3  68.342  70.043   9.474
   18    H    PHE   4           H        PHE   4  68.625  74.169   6.252
   19    HA   PHE   4           HA       PHE   4  66.648  73.926   3.932
   20    HB2  PHE   4           2HB      PHE   4  66.899  76.448   5.695
   21    HB3  PHE   4           1HB      PHE   4  66.052  76.381   4.175
   22    HD1  PHE   4           HD2      PHE   4  63.868  75.089   3.954
   23    HD2  PHE   4           HD1      PHE   4  65.911  75.364   7.718
   24    HE1  PHE   4           HE2      PHE   4  61.825  74.355   5.126
   25    HE2  PHE   4           HE1      PHE   4  63.843  74.639   8.876
   26    HZ   PHE   4           HZ       PHE   4  61.817  74.142   7.589
   27    H    ARG   5           H        ARG   5  67.720  74.203   2.104
   28    HA   ARG   5           HA       ARG   5  70.072  76.129   1.898
   29    HB2  ARG   5           2HB      ARG   5  70.174  73.177   0.999
   30    HB3  ARG   5           1HB      ARG   5  71.251  74.400   0.369
   31    HG2  ARG   5           2HG      ARG   5  72.155  74.897   2.644
   32    HG3  ARG   5           1HG      ARG   5  71.098  73.726   3.389
   33    HD2  ARG   5           1HD      ARG   5  73.175  72.980   1.203
   34    HD3  ARG   5           2HD      ARG   5  73.563  73.034   2.932
   35    HE   ARG   5           HE       ARG   5  71.199  71.349   2.628
   36   HH11  ARG   5          2HH1      ARG   5  74.601  71.216   1.865
   37   HH12  ARG   5          1HH1      ARG   5  74.624  69.391   1.984
   38   HH21  ARG   5          1HH2      ARG   5  71.282  69.278   2.769
   39   HH22  ARG   5          2HH2      ARG   5  72.828  68.368   2.469
   40    H    HIS   6           H        HIS   6  69.778  77.415   0.208
   41    HA   HIS   6           HA       HIS   6  67.596  76.828  -1.826
   42    HB2  HIS   6           1HB      HIS   6  67.735  79.049  -0.551
   43    HB3  HIS   6           2HB      HIS   6  69.225  79.411  -1.401
   44    HD2  HIS   6           HD2      HIS   6  69.000  80.137  -4.033
   45    HE1  HIS   6           HE1      HIS   6  64.830  80.251  -4.178
   46    HE2  HIS   6           HE2      HIS   6  66.926  80.932  -5.519
   47    H    ASP   7           H        ASP   7  68.127  75.958  -3.710
   48    HA   ASP   7           HA       ASP   7  70.890  76.415  -4.976
   49    HB2  ASP   7           1HB      ASP   7  69.340  73.750  -4.782
   50    HB3  ASP   7           2HB      ASP   7  70.663  74.030  -5.900
   51    H    SER   8           H        SER   8  70.752  77.240  -6.918
   52    HA   SER   8           HA       SER   8  68.107  77.582  -8.333
   53    HB2  SER   8           1HB      SER   8  69.709  79.490  -8.112
   54    HB3  SER   8           2HB      SER   8  70.914  78.624  -9.074
   55    HG   SER   8           HG       SER   8  69.351  78.584 -10.798
   56    H    GLY   9           H        GLY   9  67.455  76.479 -10.060
   57    HA2  GLY   9           1HA      GLY   9  69.310  75.120 -12.014
   58    HA3  GLY   9           2HA      GLY   9  68.429  73.976 -11.018
   59    H    TYR  10           H        TYR  10  66.111  73.994 -11.140
   60    HA   TYR  10           HA       TYR  10  65.058  74.760 -13.900
   61    HB2  TYR  10           2HB      TYR  10  63.846  72.946 -11.724
   62    HB3  TYR  10           1HB      TYR  10  63.022  73.381 -13.192
   63    HD1  TYR  10           HD2      TYR  10  63.776  72.543 -15.429
   64    HD2  TYR  10           HD1      TYR  10  65.776  71.330 -11.818
   65    HE1  TYR  10           HE2      TYR  10  64.818  70.673 -16.627
   66    HE2  TYR  10           HE1      TYR  10  66.829  69.470 -13.041
   67    HH   TYR  10           HH       TYR  10  66.138  68.893 -16.473
   68    H    GLU  11           H        GLU  11  64.129  76.661 -14.099
   69    HA   GLU  11           HA       GLU  11  62.825  78.091 -11.745
   70    HB2  GLU  11           2HB      GLU  11  64.625  79.155 -13.172
   71    HB3  GLU  11           1HB      GLU  11  63.535  79.108 -14.554
   72    HG2  GLU  11           2HG      GLU  11  61.917  80.637 -13.271
   73    HG3  GLU  11           1HG      GLU  11  63.050  80.668 -11.912
   74    H    VAL  12           H        VAL  12  61.077  76.640 -11.638
   75    HA   VAL  12           HA       VAL  12  58.739  77.437 -13.386
   76    HB   VAL  12           HB       VAL  12  57.801  75.141 -13.552
   77   HG11  VAL  12          1HG2      VAL  12  58.963  74.500 -15.626
   78   HG12  VAL  12          2HG2      VAL  12  58.832  76.268 -15.541
   79   HG13  VAL  12          3HG2      VAL  12  60.383  75.481 -15.188
   80   HG21  VAL  12          1HG1      VAL  12  60.622  74.015 -13.010
   81   HG22  VAL  12          2HG1      VAL  12  59.225  73.830 -11.927
   82   HG23  VAL  12          3HG1      VAL  12  59.190  73.098 -13.538
   83    H    HIS  13           H        HIS  13  57.425  78.311 -11.957
   84    HA   HIS  13           HA       HIS  13  57.461  77.502  -9.075
   85    HB2  HIS  13           1HB      HIS  13  56.128  79.404  -8.568
   86    HB3  HIS  13           2HB      HIS  13  57.456  79.863  -9.593
   87    HD2  HIS  13           HD2      HIS  13  56.838  80.763 -12.146
   88    HE1  HIS  13           HE1      HIS  13  52.728  81.117 -11.515
   89    HE2  HIS  13           HE2      HIS  13  54.588  81.759 -13.182
   90    H    HIS  14           H        HIS  14  54.711  77.628 -11.373
   91    HA   HIS  14           HA       HIS  14  53.261  75.547  -9.660
   92    HB2  HIS  14           1HB      HIS  14  52.138  77.751 -10.281
   93    HB3  HIS  14           2HB      HIS  14  52.166  77.272 -11.965
   94    HD2  HIS  14           HD2      HIS  14  50.550  75.151 -12.660
   95    HE1  HIS  14           HE1      HIS  14  48.292  75.099  -9.151
   96    HE2  HIS  14           HE2      HIS  14  48.303  74.140 -11.502
   97    H    GLN  15           H        GLN  15  53.901  73.566 -10.224
   98    HA   GLN  15           HA       GLN  15  54.654  72.830 -13.033
   99    HB2  GLN  15           1HB      GLN  15  55.414  70.722 -12.203
  100    HB3  GLN  15           2HB      GLN  15  56.103  72.032 -11.289
  101    HG2  GLN  15           2HG      GLN  15  53.828  70.176 -10.268
  102    HG3  GLN  15           1HG      GLN  15  55.530  69.963  -9.950
  103   HE21  GLN  15          1HE2      GLN  15  52.736  71.726  -8.953
  104   HE22  GLN  15          2HE2      GLN  15  53.632  72.601  -7.590
  105    H    LYS  16           H        LYS  16  53.530  71.611 -14.422
  106    HA   LYS  16           HA       LYS  16  50.622  70.840 -13.770
  107    HB2  LYS  16           2HB      LYS  16  52.027  71.281 -16.455
  108    HB3  LYS  16           1HB      LYS  16  50.455  70.554 -16.327
  109    HG2  LYS  16           2HG      LYS  16  51.018  73.387 -15.216
  110    HG3  LYS  16           1HG      LYS  16  50.614  73.085 -16.895
  111    HD2  LYS  16           1HD      LYS  16  48.450  71.986 -16.233
  112    HD3  LYS  16           2HD      LYS  16  48.751  72.311 -14.543
  113    HE2  LYS  16           1HE      LYS  16  48.551  74.531 -16.730
  114    HE3  LYS  16           2HE      LYS  16  47.148  73.913 -15.874
  115    HZ1  LYS  16           2HZ      LYS  16  48.022  75.922 -14.722
  116    HZ2  LYS  16           3HZ      LYS  16  48.197  74.632 -13.727
  117    HZ3  LYS  16           1HZ      LYS  16  49.497  75.227 -14.522
  118    H    LEU  17           H        LEU  17  51.615  69.225 -12.433
  119    HA   LEU  17           HA       LEU  17  51.655  66.525 -13.686
  120    HB2  LEU  17           2HB      LEU  17  54.069  67.372 -13.964
  121    HB3  LEU  17           1HB      LEU  17  54.253  67.411 -12.230
  122    HG   LEU  17           HG       LEU  17  53.485  64.829 -13.755
  123   HD11  LEU  17          2HD1      LEU  17  55.906  64.225 -13.824
  124   HD12  LEU  17          3HD1      LEU  17  56.350  65.794 -13.114
  125   HD13  LEU  17          1HD1      LEU  17  55.619  65.715 -14.737
  126   HD21  LEU  17          1HD2      LEU  17  54.545  63.627 -11.821
  127   HD22  LEU  17          2HD2      LEU  17  53.240  64.646 -11.232
  128   HD23  LEU  17          3HD2      LEU  17  54.921  65.171 -11.022
  129    H    VAL  18           H        VAL  18  50.584  65.283 -12.195
  130    HA   VAL  18           HA       VAL  18  49.859  66.407  -9.553
  131    HB   VAL  18           HB       VAL  18  48.277  65.207 -10.980
  132   HG11  VAL  18          1HG2      VAL  18  48.040  62.765 -11.032
  133   HG12  VAL  18          2HG2      VAL  18  49.504  62.531 -10.054
  134   HG13  VAL  18          3HG2      VAL  18  49.629  63.178 -11.704
  135   HG21  VAL  18          1HG1      VAL  18  47.006  64.148  -9.168
  136   HG22  VAL  18          2HG1      VAL  18  48.460  64.021  -8.146
  137   HG23  VAL  18          3HG1      VAL  18  47.790  65.618  -8.568
  138    H    PHE  19           H        PHE  19  51.799  66.725  -8.573
  139    HA   PHE  19           HA       PHE  19  53.630  64.497  -7.832
  140    HB2  PHE  19           1HB      PHE  19  54.320  66.913  -8.384
  141    HB3  PHE  19           2HB      PHE  19  53.655  67.424  -6.858
  142    HD1  PHE  19           HD1      PHE  19  54.820  66.774  -4.695
  143    HD2  PHE  19           HD2      PHE  19  56.429  65.585  -8.505
  144    HE1  PHE  19           HE1      PHE  19  56.975  66.239  -3.630
  145    HE2  PHE  19           HE2      PHE  19  58.578  65.059  -7.422
  146    HZ   PHE  19           HZ       PHE  19  58.854  65.383  -4.988
  147    H    PHE  20           H        PHE  20  53.356  63.207  -6.145
  148    HA   PHE  20           HA       PHE  20  51.449  63.920  -3.858
  149    HB2  PHE  20           1HB      PHE  20  52.718  61.211  -4.594
  150    HB3  PHE  20           2HB      PHE  20  51.727  61.494  -3.196
  151    HD1  PHE  20           HD1      PHE  20  49.258  61.878  -3.389
  152    HD2  PHE  20           HD2      PHE  20  51.661  61.145  -6.880
  153    HE1  PHE  20           HE1      PHE  20  47.228  61.392  -4.697
  154    HE2  PHE  20           HE2      PHE  20  49.627  60.659  -8.173
  155    HZ   PHE  20           HZ       PHE  20  47.407  60.780  -7.088
  156    H    ALA  21           H        ALA  21  52.437  64.943  -2.219
  157    HA   ALA  21           HA       ALA  21  55.361  64.508  -1.548
  158    HB1  ALA  21           1HB      ALA  21  53.248  66.365  -0.292
  159    HB2  ALA  21           2HB      ALA  21  54.410  66.797  -1.578
  160    HB3  ALA  21           3HB      ALA  21  54.993  66.372   0.043
  161    H    GLU  22           H        GLU  22  54.638  62.178  -1.300
  162    HA   GLU  22           HA       GLU  22  54.899  61.485   1.574
  163    HB2  GLU  22           2HB      GLU  22  53.018  59.919   1.778
  164    HB3  GLU  22           1HB      GLU  22  52.493  61.576   1.610
  165    HG2  GLU  22           2HG      GLU  22  51.795  61.127  -0.792
  166    HG3  GLU  22           1HG      GLU  22  52.340  59.456  -0.638
  167    H    ASP  23           H        ASP  23  55.699  59.370   1.916
  168    HA   ASP  23           HA       ASP  23  57.362  58.335  -0.325
  169    HB2  ASP  23           2HB      ASP  23  58.124  58.509   2.087
  170    HB3  ASP  23           1HB      ASP  23  57.060  57.172   2.503
  171    H    VAL  24           H        VAL  24  56.167  57.468  -1.873
  172    HA   VAL  24           HA       VAL  24  54.118  55.254  -1.314
  173    HB   VAL  24           HB       VAL  24  54.630  56.791  -3.916
  174   HG11  VAL  24          1HG1      VAL  24  52.349  54.784  -3.287
  175   HG12  VAL  24          2HG1      VAL  24  53.727  54.460  -4.365
  176   HG13  VAL  24          3HG1      VAL  24  52.556  55.715  -4.790
  177   HG21  VAL  24          1HG2      VAL  24  52.405  57.875  -3.531
  178   HG22  VAL  24          2HG2      VAL  24  52.215  57.020  -1.978
  179   HG23  VAL  24          3HG2      VAL  24  53.494  58.233  -2.185
  180    H    GLY  25           H        GLY  25  55.312  53.514  -0.950
  181    HA2  GLY  25           1HA      GLY  25  56.911  52.200  -3.176
  182    HA3  GLY  25           2HA      GLY  25  57.864  52.778  -1.812
  183    H    SER  26           H        SER  26  55.311  50.566  -2.764
  184    HA   SER  26           HA       SER  26  56.057  48.646  -0.519
  185    HB2  SER  26           2HB      SER  26  54.262  50.116   0.437
  186    HB3  SER  26           1HB      SER  26  53.160  49.615  -0.860
  187    HG   SER  26           HG       SER  26  52.872  48.288   0.938
  188    H    ASN  27           H        ASN  27  56.896  48.167  -2.817
  189    HA   ASN  27           HA       ASN  27  55.640  45.585  -3.611
  190    HB2  ASN  27           2HB      ASN  27  55.859  47.821  -5.747
  191    HB3  ASN  27           1HB      ASN  27  55.774  46.127  -6.154
  192   HD21  ASN  27          1HD2      ASN  27  53.739  45.018  -5.877
  193   HD22  ASN  27          2HD2      ASN  27  52.218  46.023  -5.603
  194    H    LYS  28           H        LYS  28  57.522  44.546  -3.115
  195    HA   LYS  28           HA       LYS  28  60.130  45.421  -4.436
  196    HB2  LYS  28           1HB      LYS  28  60.046  44.589  -1.483
  197    HB3  LYS  28           2HB      LYS  28  61.454  45.057  -2.400
  198    HG2  LYS  28           1HG      LYS  28  59.184  46.923  -1.470
  199    HG3  LYS  28           2HG      LYS  28  60.768  46.730  -0.740
  200    HD2  LYS  28           1HD      LYS  28  61.826  47.573  -2.925
  201    HD3  LYS  28           2HD      LYS  28  60.244  47.968  -3.529
  202    HE2  LYS  28           1HE      LYS  28  61.428  49.107  -0.874
  203    HE3  LYS  28           2HE      LYS  28  61.664  49.876  -2.432
  204    HZ1  LYS  28           2HZ      LYS  28  59.696  50.853  -1.296
  205    HZ2  LYS  28           3HZ      LYS  28  58.952  49.414  -1.182
  206    HZ3  LYS  28           1HZ      LYS  28  59.192  50.087  -2.662
  207    H    GLY  29           H        GLY  29  61.339  43.742  -5.130
  208    HA2  GLY  29           1HA      GLY  29  60.968  40.913  -4.141
  209    HA3  GLY  29           2HA      GLY  29  60.345  41.148  -5.767
  210    H    ALA  30           H        ALA  30  61.867  41.769  -7.418
  211    HA   ALA  30           HA       ALA  30  64.663  40.691  -6.990
  212    HB1  ALA  30           1HB      ALA  30  64.803  40.818  -9.481
  213    HB2  ALA  30           2HB      ALA  30  63.345  39.944  -8.974
  214    HB3  ALA  30           3HB      ALA  30  63.222  41.625  -9.561
  215    H    ILE  31           H        ILE  31  66.371  41.961  -6.650
  216    HA   ILE  31           HA       ILE  31  66.226  44.975  -7.133
  217    HB   ILE  31           HB       ILE  31  66.674  44.266  -4.829
  218   HG12  ILE  31          1HG1      ILE  31  68.803  45.707  -4.454
  219   HG13  ILE  31          2HG1      ILE  31  68.880  45.917  -6.191
  220   HG21  ILE  31          2HG2      ILE  31  68.097  42.207  -5.178
  221   HG22  ILE  31          3HG2      ILE  31  68.797  43.358  -4.031
  222   HG23  ILE  31          1HG2      ILE  31  69.453  43.245  -5.679
  223   HD11  ILE  31          1HD1      ILE  31  66.546  47.032  -6.091
  224   HD12  ILE  31          2HD1      ILE  31  66.537  46.741  -4.328
  225   HD13  ILE  31          3HD1      ILE  31  67.735  47.836  -5.042
  226    H    ILE  32           H        ILE  32  66.531  45.090  -9.300
  227    HA   ILE  32           HA       ILE  32  68.804  43.656 -10.636
  228    HB   ILE  32           HB       ILE  32  66.641  43.740 -11.766
  229   HG12  ILE  32          2HG1      ILE  32  67.429  44.476 -14.096
  230   HG13  ILE  32          1HG1      ILE  32  68.916  45.048 -13.380
  231   HG21  ILE  32          3HG2      ILE  32  65.749  45.711 -12.937
  232   HG22  ILE  32          1HG2      ILE  32  67.077  46.740 -12.348
  233   HG23  ILE  32          2HG2      ILE  32  65.873  46.091 -11.213
  234   HD11  ILE  32          1HD1      ILE  32  69.430  42.626 -12.643
  235   HD12  ILE  32          2HD1      ILE  32  67.883  42.117 -13.373
  236   HD13  ILE  32          3HD1      ILE  32  69.175  42.778 -14.392
  237    H    GLY  33           H        GLY  33  70.693  44.441 -11.172
  238    HA2  GLY  33           1HA      GLY  33  71.551  47.187 -11.658
  239    HA3  GLY  33           2HA      GLY  33  71.741  46.915  -9.930
  240    H    LEU  34           H        LEU  34  72.669  45.668 -13.094
  241    HA   LEU  34           HA       LEU  34  75.373  44.763 -11.965
  242    HB2  LEU  34           1HB      LEU  34  73.585  43.140 -13.868
  243    HB3  LEU  34           2HB      LEU  34  75.280  42.795 -13.643
  244    HG   LEU  34           HG       LEU  34  73.321  42.749 -11.269
  245   HD11  LEU  34          1HD2      LEU  34  74.133  40.374 -13.078
  246   HD12  LEU  34          2HD2      LEU  34  72.522  41.129 -13.012
  247   HD13  LEU  34          3HD2      LEU  34  73.156  40.278 -11.593
  248   HD21  LEU  34          2HD1      LEU  34  75.782  42.827 -10.650
  249   HD22  LEU  34          3HD1      LEU  34  75.036  41.287 -10.200
  250   HD23  LEU  34          1HD1      LEU  34  76.077  41.374 -11.638
  251    H    MET  35           H        MET  35  76.869  45.917 -12.979
  252    HA   MET  35           HA       MET  35  76.365  47.164 -15.718
  253    HB2  MET  35           1HB      MET  35  78.600  47.627 -13.649
  254    HB3  MET  35           2HB      MET  35  78.627  48.304 -15.263
  255    HG2  MET  35           1HG      MET  35  76.507  49.575 -14.855
  256    HG3  MET  35           2HG      MET  35  76.404  48.929 -13.211
  257    HE1  MET  35           2HE      MET  35  78.881  49.090 -11.605
  258    HE2  MET  35           1HE      MET  35  79.127  50.822 -11.250
  259    HE3  MET  35           3HE      MET  35  77.479  50.129 -11.192
  260    H    VAL  36           H        VAL  36  77.052  46.126 -17.465
  261    HA   VAL  36           HA       VAL  36  79.606  44.461 -17.389
  262    HB   VAL  36           HB       VAL  36  77.724  42.923 -17.096
  263   HG11  VAL  36          1HG1      VAL  36  75.927  43.979 -18.533
  264   HG12  VAL  36          2HG1      VAL  36  76.822  43.499 -19.992
  265   HG13  VAL  36          3HG1      VAL  36  76.179  42.260 -18.890
  266   HG21  VAL  36          1HG2      VAL  36  78.491  41.213 -18.691
  267   HG22  VAL  36          2HG2      VAL  36  79.230  42.446 -19.741
  268   HG23  VAL  36          3HG2      VAL  36  79.878  42.147 -18.108
  269    H    GLY  37           H        GLY  37  80.805  45.941 -18.348
  270    HA2  GLY  37           1HA      GLY  37  80.761  46.326 -21.270
  271    HA3  GLY  37           2HA      GLY  37  80.025  47.741 -20.529
  272    H    GLY  38           H        GLY  38  81.325  49.087 -19.237
  273    HA2  GLY  38           1HA      GLY  38  84.077  48.672 -18.385
  274    HA3  GLY  38           2HA      GLY  38  84.184  49.325 -20.014
  275    H    VAL  39           H        VAL  39  83.128  50.000 -16.748
  276    HA   VAL  39           HA       VAL  39  83.390  52.971 -17.300
  277    HB   VAL  39           HB       VAL  39  81.013  52.455 -17.609
  278   HG11  VAL  39          1HG1      VAL  39  80.596  50.686 -15.844
  279   HG12  VAL  39          2HG1      VAL  39  80.734  51.934 -14.579
  280   HG13  VAL  39          3HG1      VAL  39  79.434  52.023 -15.783
  281   HG21  VAL  39          1HG2      VAL  39  81.757  54.753 -16.966
  282   HG22  VAL  39          2HG2      VAL  39  81.497  54.369 -15.246
  283   HG23  VAL  39          3HG2      VAL  39  80.124  54.392 -16.381
  284    H    VAL  40           H        VAL  40  82.700  50.908 -14.387
  285    HA   VAL  40           HA       VAL  40  85.353  51.645 -13.294
  286    HB   VAL  40           HB       VAL  40  84.563  52.294 -11.028
  287   HG11  VAL  40          1HG2      VAL  40  85.496  54.017 -12.589
  288   HG12  VAL  40          2HG2      VAL  40  84.316  54.719 -11.460
  289   HG13  VAL  40          3HG2      VAL  40  83.859  54.406 -13.153
  290   HG21  VAL  40          1HG1      VAL  40  82.131  51.666 -11.103
  291   HG22  VAL  40          2HG1      VAL  40  82.364  53.349 -10.592
  292   HG23  VAL  40          3HG1      VAL  40  81.814  52.985 -12.251
  293   HCG9  23Y 101          HCG9      EVG   1  66.061  69.392  -9.156
  294   HCG3  23Y 101          HCG3      EVG   1  62.173  70.577 -11.108
  295   HCG7  23Y 101          HCG7      EVG   1  66.537  66.345 -12.107
  296   HCG4  23Y 101          HCG4      EVG   1  61.728  67.562 -10.819
  297   HCB1  23Y 101          HCB1      EVG   1  61.711  68.660  -7.912
  298   HCB2  23Y 101          HCB2      EVG   1  59.667  68.781  -6.549
  299   HOB3  23Y 101          HOB3      EVG   1  57.593  69.544  -6.404
  300   HCB4  23Y 101          HCB4      EVG   1  57.724  71.017  -9.641
  301   HCB5  23Y 101          HCB5      EVG   1  59.748  70.892 -11.026
  302   HCC1  23Y 101          HCC1      EVG   1  63.099  69.749 -13.635
  303   HOC2  23Y 101          HOC2      EVG   1  61.498  70.132 -16.794
  304   HCC3  23Y 101          HCC3      EVG   1  59.745  68.964 -16.170
  305   HOC4  23Y 101          HOC4      EVG   1  58.134  67.123 -13.617
  306   HCC5  23Y 101          HCC5      EVG   1  59.784  67.447 -12.178
  307   HCD1  23Y 101          HCD1      EVG   1  62.845  66.293 -13.192
  308   HCD2  23Y 101          HCD2      EVG   1  65.601  65.120 -13.624
  309   HCE1  23Y 101          HCE1      EVG   1  61.031  63.531 -16.464
  310   HOE2  23Y 101          HOE2      EVG   1  63.148  61.200 -18.096
  311   HCE3  23Y 101          HCE3      EVG   1  64.938  61.847 -16.945
  312   HCE4  23Y 101          HCE4      EVG   1  65.818  63.352 -15.231
  313   HCE6  23Y 101          HCE6      EVG   1  61.881  65.057 -14.747
  314   HCF5  23Y 101          HCF5      EVG   1  69.231  70.400  -7.742
  315   HCF1  23Y 101          HCF1      EVG   1  68.199  68.126  -8.411
  316   HCF2  23Y 101          HCF2      EVG   1  70.375  67.710 -10.550
  317   HOF2  23Y 101          HOF2      EVG   1  69.868  66.301  -8.133
  318   HCF3  23Y 101          HCF3      EVG   1  70.854  68.268  -7.553
  319   HOF3  23Y 101          HOF3      EVG   1  72.571  68.157  -9.809
  320   HCF4  23Y 101          HCF4      EVG   1  71.437  70.179  -9.895
  321   HOF4  23Y 101          HOF4      EVG   1  71.856  71.554  -8.090
  322   HF61  23Y 101          HF61      EVG   1  70.117  72.634  -8.567
  323   HF62  23Y 101          HF62      EVG   1  69.793  72.132 -10.231
  324   HCF6  23Y 101          HOF6      EVG   1  67.866  72.339  -8.129
  325   HCG9  23Y 102          HCG9      EVG   2  68.657  55.969   2.398
  326   HCG3  23Y 102          HCG3      EVG   2  69.152  55.842  -2.057
  327   HCG7  23Y 102          HCG7      EVG   2  67.274  51.926   2.306
  328   HCG4  23Y 102          HCG4      EVG   2  66.277  54.815  -1.829
  329   HCB1  23Y 102          HCB1      EVG   2  68.635  56.663  -4.295
  330   HCB2  23Y 102          HCB2      EVG   2  67.628  58.437  -5.659
  331   HOB3  23Y 102          HOB3      EVG   2  66.152  60.102  -5.730
  332   HCB4  23Y 102          HCB4      EVG   2  65.151  59.598  -2.364
  333   HCB5  23Y 102          HCB5      EVG   2  66.152  57.822  -0.976
  334   HCC1  23Y 102          HCC1      EVG   2  69.702  53.107  -1.978
  335   HOC2  23Y 102          HOC2      EVG   2  71.067  51.696  -3.016
  336   HCC3  23Y 102          HCC3      EVG   2  68.926  51.404  -5.819
  337   HOC4  23Y 102          HOC4      EVG   2  67.030  52.032  -6.803
  338   HCC5  23Y 102          HCC5      EVG   2  66.082  54.084  -4.087
  339   HCD1  23Y 102          HCD1      EVG   2  66.391  51.947  -1.445
  340   HCD2  23Y 102          HCD2      EVG   2  66.434  50.306   1.094
  341   HCE1  23Y 102          HCE1      EVG   2  64.564  48.422  -3.849
  342   HOE2  23Y 102          HOE2      EVG   2  63.915  46.288  -3.691
  343   HCE3  23Y 102          HCE3      EVG   2  64.557  46.171  -0.208
  344   HCE4  23Y 102          HCE4      EVG   2  65.545  48.074   0.987
  345   HCE6  23Y 102          HCE6      EVG   2  65.557  50.329  -2.695
  346   HCF5  23Y 102          HCF5      EVG   2  66.989  50.436   5.530
  347   HCF1  23Y 102          HCF1      EVG   2  68.766  51.993   4.467
  348   HCF2  23Y 102          HCF2      EVG   2  68.003  54.255   6.423
  349   HOF2  23Y 102          HOF2      EVG   2  70.129  54.250   5.559
  350   HCF3  23Y 102          HCF3      EVG   2  68.880  51.401   7.179
  351   HOF3  23Y 102          HOF3      EVG   2  69.370  53.174   8.534
  352   HCF4  23Y 102          HCF4      EVG   2  66.084  52.646   7.499
  353   HOF4  23Y 102          HOF4      EVG   2  65.682  50.349   7.869
  354   HF61  23Y 102          HF61      EVG   2  64.718  50.746   4.532
  355   HF62  23Y 102          HF62      EVG   2  64.283  51.885   5.813
  356   HCF6  23Y 102          HOF6      EVG   2  63.625  49.670   6.199
  Start of MODEL    5
    1    H1   ASP   1           1H       ASP   1  73.274  80.999   6.710
    2    H2   ASP   1           2H       ASP   1  73.242  82.429   5.897
    3    H3   ASP   1           3H       ASP   1  72.422  81.098   5.288
    4    HA   ASP   1           HA       ASP   1  74.482  81.499   4.038
    5    HB2  ASP   1           1HB      ASP   1  75.735  81.327   6.867
    6    HB3  ASP   1           2HB      ASP   1  76.670  81.213   5.385
    7    H    ALA   2           H        ALA   2  74.848  79.687   2.908
    8    HA   ALA   2           HA       ALA   2  74.358  76.952   4.158
    9    HB1  ALA   2           1HB      ALA   2  74.256  76.186   1.801
   10    HB2  ALA   2           2HB      ALA   2  74.655  77.816   1.215
   11    HB3  ALA   2           3HB      ALA   2  73.125  77.523   2.090
   12    H    GLU   3           H        GLU   3  76.199  76.844   5.407
   13    HA   GLU   3           HA       GLU   3  78.914  76.545   4.020
   14    HB2  GLU   3           1HB      GLU   3  78.791  78.072   5.959
   15    HB3  GLU   3           2HB      GLU   3  78.174  76.790   6.996
   16    HG2  GLU   3           1HG      GLU   3  80.341  75.516   6.755
   17    HG3  GLU   3           2HG      GLU   3  80.960  76.726   5.623
   18    H    PHE   4           H        PHE   4  79.064  74.568   3.199
   19    HA   PHE   4           HA       PHE   4  78.746  72.154   4.975
   20    HB2  PHE   4           2HB      PHE   4  76.481  72.650   3.666
   21    HB3  PHE   4           1HB      PHE   4  77.310  72.102   2.240
   22    HD1  PHE   4           HD1      PHE   4  78.007  69.638   2.087
   23    HD2  PHE   4           HD2      PHE   4  75.921  71.136   5.538
   24    HE1  PHE   4           HE1      PHE   4  77.478  67.332   2.781
   25    HE2  PHE   4           HE2      PHE   4  75.400  68.825   6.216
   26    HZ   PHE   4           HZ       PHE   4  76.162  66.925   4.835
   27    H    ARG   5           H        ARG   5  80.474  70.940   4.683
   28    HA   ARG   5           HA       ARG   5  81.892  70.859   1.975
   29    HB2  ARG   5           1HB      ARG   5  84.084  71.079   2.812
   30    HB3  ARG   5           2HB      ARG   5  83.124  72.474   3.245
   31    HG2  ARG   5           2HG      ARG   5  82.952  71.608   5.642
   32    HG3  ARG   5           1HG      ARG   5  83.974  70.232   5.197
   33    HD2  ARG   5           1HD      ARG   5  85.847  71.820   4.550
   34    HD3  ARG   5           2HD      ARG   5  84.818  73.196   5.011
   35    HE   ARG   5           HE       ARG   5  85.075  71.146   7.195
   36   HH11  ARG   5          1HH2      ARG   5  86.650  73.964   5.857
   37   HH12  ARG   5          2HH2      ARG   5  87.511  74.297   7.434
   38   HH21  ARG   5          1HH1      ARG   5  86.080  71.569   8.947
   39   HH22  ARG   5          2HH1      ARG   5  87.198  72.998   9.079
   40    H    HIS   6           H        HIS   6  82.219  69.084   5.086
   41    HA   HIS   6           HA       HIS   6  81.488  66.538   3.650
   42    HB2  HIS   6           2HB      HIS   6  83.993  66.833   3.276
   43    HB3  HIS   6           1HB      HIS   6  84.254  66.809   5.008
   44    HD2  HIS   6           HD2      HIS   6  84.139  64.379   6.242
   45    HE1  HIS   6           HE1      HIS   6  83.636  62.065   2.807
   46    HE2  HIS   6           HE2      HIS   6  84.141  61.871   5.332
   47    H    ASP   7           H        ASP   7  79.966  65.796   4.960
   48    HA   ASP   7           HA       ASP   7  80.376  65.758   7.993
   49    HB2  ASP   7           2HB      ASP   7  78.823  67.665   7.247
   50    HB3  ASP   7           1HB      ASP   7  77.708  66.455   6.619
   51    H    SER   8           H        SER   8  80.580  63.696   8.436
   52    HA   SER   8           HA       SER   8  78.690  61.605   7.249
   53    HB2  SER   8           2HB      SER   8  80.495  59.987   6.890
   54    HB3  SER   8           1HB      SER   8  80.787  61.432   5.925
   55    HG   SER   8           HG       SER   8  81.916  61.078   8.522
   56    H    GLY   9           H        GLY   9  77.676  60.635   8.871
   57    HA2  GLY   9           1HA      GLY   9  78.946  59.313  11.133
   58    HA3  GLY   9           2HA      GLY   9  78.437  60.914  11.687
   59    H    TYR  10           H        TYR  10  77.467  59.065  13.029
   60    HA   TYR  10           HA       TYR  10  74.502  58.888  12.297
   61    HB2  TYR  10           2HB      TYR  10  76.190  56.510  13.318
   62    HB3  TYR  10           1HB      TYR  10  74.456  56.566  13.425
   63    HD1  TYR  10           HD1      TYR  10  77.291  56.286  11.037
   64    HD2  TYR  10           HD2      TYR  10  73.008  56.330  11.417
   65    HE1  TYR  10           HE1      TYR  10  77.068  55.398   8.746
   66    HE2  TYR  10           HE2      TYR  10  72.803  55.434   9.136
   67    HH   TYR  10           HH       TYR  10  73.892  54.748   7.314
   68    H    GLU  11           H        GLU  11  73.584  60.112  13.795
   69    HA   GLU  11           HA       GLU  11  74.704  60.302  16.637
   70    HB2  GLU  11           2HB      GLU  11  72.612  61.993  15.162
   71    HB3  GLU  11           1HB      GLU  11  72.914  62.108  16.883
   72    HG2  GLU  11           2HG      GLU  11  75.310  62.786  16.498
   73    HG3  GLU  11           1HG      GLU  11  75.082  62.657  14.752
   74    H    VAL  12           H        VAL  12  74.155  58.233  17.226
   75    HA   VAL  12           HA       VAL  12  71.259  57.876  18.156
   76    HB   VAL  12           HB       VAL  12  72.867  55.623  16.816
   77   HG11  VAL  12          1HG2      VAL  12  69.999  55.535  17.965
   78   HG12  VAL  12          2HG2      VAL  12  71.421  54.778  18.724
   79   HG13  VAL  12          3HG2      VAL  12  70.857  54.195  17.156
   80   HG21  VAL  12          1HG1      VAL  12  71.842  57.134  15.066
   81   HG22  VAL  12          2HG1      VAL  12  70.241  56.927  15.806
   82   HG23  VAL  12          3HG1      VAL  12  71.080  55.539  15.066
   83    H    HIS  13           H        HIS  13  71.686  58.211  20.260
   84    HA   HIS  13           HA       HIS  13  74.243  57.226  21.536
   85    HB2  HIS  13           2HB      HIS  13  73.371  59.579  21.830
   86    HB3  HIS  13           1HB      HIS  13  72.005  58.966  22.735
   87    HD2  HIS  13           HD2      HIS  13  75.865  59.453  22.971
   88    HE1  HIS  13           HE1      HIS  13  74.529  58.576  26.825
   89    HE2  HIS  13           HE2      HIS  13  76.628  59.327  25.526
   90    H    HIS  14           H        HIS  14  70.824  56.916  22.658
   91    HA   HIS  14           HA       HIS  14  71.407  53.990  23.350
   92    HB2  HIS  14           2HB      HIS  14  71.703  55.500  25.395
   93    HB3  HIS  14           1HB      HIS  14  70.014  55.942  25.283
   94    HD2  HIS  14           HD2      HIS  14  72.340  53.197  26.553
   95    HE1  HIS  14           HE1      HIS  14  68.465  51.925  27.436
   96    HE2  HIS  14           HE2      HIS  14  70.922  51.535  28.070
   97    H    GLN  15           H        GLN  15  70.282  53.346  21.573
   98    HA   GLN  15           HA       GLN  15  67.243  53.447  21.800
   99    HB2  GLN  15           1HB      GLN  15  68.029  55.312  20.248
  100    HB3  GLN  15           2HB      GLN  15  68.695  54.098  19.166
  101    HG2  GLN  15           2HG      GLN  15  66.431  53.167  18.722
  102    HG3  GLN  15           1HG      GLN  15  65.712  54.187  19.975
  103   HE21  GLN  15          1HE2      GLN  15  64.525  54.352  17.706
  104   HE22  GLN  15          2HE2      GLN  15  65.043  55.847  16.761
  105    H    LYS  16           H        LYS  16  67.305  51.346  22.478
  106    HA   LYS  16           HA       LYS  16  68.385  49.175  20.569
  107    HB2  LYS  16           2HB      LYS  16  67.666  49.016  23.552
  108    HB3  LYS  16           1HB      LYS  16  67.868  47.608  22.534
  109    HG2  LYS  16           1HG      LYS  16  70.213  48.303  21.936
  110    HG3  LYS  16           2HG      LYS  16  70.108  49.697  22.984
  111    HD2  LYS  16           1HD      LYS  16  69.677  46.799  23.992
  112    HD3  LYS  16           2HD      LYS  16  71.278  47.444  23.817
  113    HE2  LYS  16           2HE      LYS  16  69.146  48.786  25.634
  114    HE3  LYS  16           1HE      LYS  16  70.199  47.491  26.188
  115    HZ1  LYS  16           2HZ      LYS  16  72.180  48.894  25.594
  116    HZ2  LYS  16           3HZ      LYS  16  71.206  50.119  25.099
  117    HZ3  LYS  16           1HZ      LYS  16  71.229  49.689  26.672
  118    H    LEU  17           H        LEU  17  66.725  49.919  19.142
  119    HA   LEU  17           HA       LEU  17  64.282  48.224  19.197
  120    HB2  LEU  17           1HB      LEU  17  63.561  50.266  20.612
  121    HB3  LEU  17           2HB      LEU  17  63.921  51.292  19.246
  122    HG   LEU  17           HG       LEU  17  62.106  49.902  17.913
  123   HD11  LEU  17          1HD2      LEU  17  61.887  47.971  19.563
  124   HD12  LEU  17          2HD2      LEU  17  61.256  49.100  20.785
  125   HD13  LEU  17          3HD2      LEU  17  60.345  48.800  19.290
  126   HD21  LEU  17          2HD1      LEU  17  60.255  51.289  18.815
  127   HD22  LEU  17          3HD1      LEU  17  61.197  51.668  20.276
  128   HD23  LEU  17          1HD1      LEU  17  61.737  52.249  18.681
  129    H    VAL  18           H        VAL  18  63.613  47.888  17.071
  130    HA   VAL  18           HA       VAL  18  65.227  49.136  14.826
  131    HB   VAL  18           HB       VAL  18  64.005  47.680  13.259
  132   HG11  VAL  18          1HG2      VAL  18  66.286  47.087  14.112
  133   HG12  VAL  18          2HG2      VAL  18  65.557  46.135  15.426
  134   HG13  VAL  18          3HG2      VAL  18  65.325  45.648  13.730
  135   HG21  VAL  18          1HG1      VAL  18  61.930  47.056  14.555
  136   HG22  VAL  18          2HG1      VAL  18  62.921  46.096  15.679
  137   HG23  VAL  18          3HG1      VAL  18  62.811  45.641  13.964
  138    H    PHE  19           H        PHE  19  64.639  51.195  14.686
  139    HA   PHE  19           HA       PHE  19  61.936  52.212  15.020
  140    HB2  PHE  19           2HB      PHE  19  64.180  53.459  15.356
  141    HB3  PHE  19           1HB      PHE  19  64.284  53.638  13.629
  142    HD1  PHE  19           HD1      PHE  19  62.420  54.687  16.688
  143    HD2  PHE  19           HD2      PHE  19  62.756  55.255  12.436
  144    HE1  PHE  19           HE1      PHE  19  61.117  56.765  16.855
  145    HE2  PHE  19           HE2      PHE  19  61.407  57.306  12.616
  146    HZ   PHE  19           HZ       PHE  19  60.599  58.072  14.823
  147    H    PHE  20           H        PHE  20  60.340  52.724  13.640
  148    HA   PHE  20           HA       PHE  20  60.498  51.792  10.741
  149    HB2  PHE  20           1HB      PHE  20  58.087  52.572  12.489
  150    HB3  PHE  20           2HB      PHE  20  57.971  52.264  10.783
  151    HD1  PHE  20           HD2      PHE  20  58.249  49.972   9.834
  152    HD2  PHE  20           HD1      PHE  20  58.551  50.641  14.072
  153    HE1  PHE  20           HE2      PHE  20  57.989  47.557  10.244
  154    HE2  PHE  20           HE1      PHE  20  58.294  48.226  14.465
  155    HZ   PHE  20           HZ       PHE  20  58.009  46.680  12.556
  156    H    ALA  21           H        ALA  21  61.097  53.248   9.306
  157    HA   ALA  21           HA       ALA  21  60.960  56.209   9.703
  158    HB1  ALA  21           1HB      ALA  21  62.064  56.205   7.426
  159    HB2  ALA  21           2HB      ALA  21  62.873  55.067   8.523
  160    HB3  ALA  21           3HB      ALA  21  61.764  54.470   7.257
  161    H    GLU  22           H        GLU  22  59.801  57.709   8.363
  162    HA   GLU  22           HA       GLU  22  57.042  56.843   7.684
  163    HB2  GLU  22           2HB      GLU  22  56.424  59.085   7.460
  164    HB3  GLU  22           1HB      GLU  22  57.365  58.862   8.914
  165    HG2  GLU  22           1HG      GLU  22  59.369  59.993   7.762
  166    HG3  GLU  22           2HG      GLU  22  58.380  60.222   6.321
  167    H    ASP  23           H        ASP  23  57.990  55.325   6.179
  168    HA   ASP  23           HA       ASP  23  56.966  55.992   3.470
  169    HB2  ASP  23           2HB      ASP  23  58.895  55.281   2.122
  170    HB3  ASP  23           1HB      ASP  23  59.175  56.783   2.965
  171    H    VAL  24           H        VAL  24  55.492  54.407   3.571
  172    HA   VAL  24           HA       VAL  24  56.415  51.547   3.972
  173    HB   VAL  24           HB       VAL  24  55.698  52.423   6.188
  174   HG11  VAL  24          1HG2      VAL  24  52.785  52.386   5.152
  175   HG12  VAL  24          2HG2      VAL  24  53.326  52.668   6.826
  176   HG13  VAL  24          3HG2      VAL  24  53.708  53.851   5.560
  177   HG21  VAL  24          1HG1      VAL  24  53.999  50.040   5.220
  178   HG22  VAL  24          2HG1      VAL  24  54.485  50.402   6.892
  179   HG23  VAL  24          3HG1      VAL  24  55.716  49.968   5.695
  180    H    GLY  25           H        GLY  25  55.387  50.035   2.862
  181    HA2  GLY  25           1HA      GLY  25  53.699  49.104   1.279
  182    HA3  GLY  25           2HA      GLY  25  53.005  50.691   1.056
  183    H    SER  26           H        SER  26  55.775  48.675   0.259
  184    HA   SER  26           HA       SER  26  56.135  50.166  -2.402
  185    HB2  SER  26           1HB      SER  26  58.436  49.228  -0.554
  186    HB3  SER  26           2HB      SER  26  58.631  49.879  -2.184
  187    HG   SER  26           HG       SER  26  57.296  51.292  -0.108
  188    H    ASN  27           H        ASN  27  56.354  48.805  -4.145
  189    HA   ASN  27           HA       ASN  27  55.999  45.877  -3.765
  190    HB2  ASN  27           2HB      ASN  27  55.714  45.675  -6.110
  191    HB3  ASN  27           1HB      ASN  27  54.777  47.004  -5.502
  192   HD21  ASN  27          1HD2      ASN  27  57.397  46.175  -7.610
  193   HD22  ASN  27          2HD2      ASN  27  57.459  47.843  -8.381
  194    H    LYS  28           H        LYS  28  57.787  45.350  -2.567
  195    HA   LYS  28           HA       LYS  28  60.549  45.371  -3.817
  196    HB2  LYS  28           1HB      LYS  28  59.533  44.383  -1.078
  197    HB3  LYS  28           2HB      LYS  28  61.194  44.206  -1.606
  198    HG2  LYS  28           1HG      LYS  28  61.511  46.669  -1.785
  199    HG3  LYS  28           2HG      LYS  28  59.820  46.955  -1.370
  200    HD2  LYS  28           1HD      LYS  28  60.161  45.842   0.879
  201    HD3  LYS  28           2HD      LYS  28  61.848  45.513   0.478
  202    HE2  LYS  28           2HE      LYS  28  62.299  48.022   0.276
  203    HE3  LYS  28           1HE      LYS  28  60.610  48.362   0.659
  204    HZ1  LYS  28           2HZ      LYS  28  62.509  46.897   2.506
  205    HZ2  LYS  28           3HZ      LYS  28  62.010  48.449   2.715
  206    HZ3  LYS  28           1HZ      LYS  28  60.941  47.213   2.859
  207    H    GLY  29           H        GLY  29  61.645  43.612  -4.497
  208    HA2  GLY  29           1HA      GLY  29  60.863  40.793  -4.140
  209    HA3  GLY  29           2HA      GLY  29  60.248  41.333  -5.698
  210    H    ALA  30           H        ALA  30  61.777  41.987  -7.290
  211    HA   ALA  30           HA       ALA  30  64.511  40.676  -7.055
  212    HB1  ALA  30           1HB      ALA  30  63.083  40.128  -9.030
  213    HB2  ALA  30           2HB      ALA  30  64.570  40.955  -9.535
  214    HB3  ALA  30           3HB      ALA  30  63.034  41.848  -9.505
  215    H    ILE  31           H        ILE  31  66.301  41.839  -6.722
  216    HA   ILE  31           HA       ILE  31  66.259  44.882  -6.910
  217    HB   ILE  31           HB       ILE  31  66.900  43.902  -4.759
  218   HG12  ILE  31          2HG1      ILE  31  69.103  45.235  -4.440
  219   HG13  ILE  31          1HG1      ILE  31  69.025  45.634  -6.143
  220   HG21  ILE  31          2HG2      ILE  31  69.054  42.852  -4.283
  221   HG22  ILE  31          3HG2      ILE  31  69.541  42.906  -5.991
  222   HG23  ILE  31          1HG2      ILE  31  68.202  41.857  -5.472
  223   HD11  ILE  31          1HD1      ILE  31  66.764  46.804  -5.707
  224   HD12  ILE  31          2HD1      ILE  31  68.069  47.447  -4.691
  225   HD13  ILE  31          3HD1      ILE  31  66.884  46.327  -3.991
  226    H    ILE  32           H        ILE  32  66.298  45.165  -9.092
  227    HA   ILE  32           HA       ILE  32  68.483  43.942 -10.767
  228    HB   ILE  32           HB       ILE  32  67.585  45.176 -12.728
  229   HG12  ILE  32          1HG1      ILE  32  65.109  45.865 -12.650
  230   HG13  ILE  32          2HG1      ILE  32  65.256  46.034 -10.912
  231   HG21  ILE  32          3HG2      ILE  32  65.716  43.639 -13.116
  232   HG22  ILE  32          1HG2      ILE  32  65.554  43.314 -11.373
  233   HG23  ILE  32          2HG2      ILE  32  67.011  42.798 -12.256
  234   HD11  ILE  32          1HD1      ILE  32  65.471  48.224 -12.178
  235   HD12  ILE  32          2HD1      ILE  32  66.946  47.907 -11.267
  236   HD13  ILE  32          3HD1      ILE  32  66.906  47.615 -13.026
  237    H    GLY  33           H        GLY  33  70.177  44.917 -11.687
  238    HA2  GLY  33           1HA      GLY  33  70.786  47.858 -11.407
  239    HA3  GLY  33           2HA      GLY  33  71.699  46.863 -10.280
  240    H    LEU  34           H        LEU  34  71.137  47.570 -13.651
  241    HA   LEU  34           HA       LEU  34  73.431  45.802 -14.588
  242    HB2  LEU  34           1HB      LEU  34  71.415  47.504 -16.187
  243    HB3  LEU  34           2HB      LEU  34  72.812  46.723 -16.875
  244    HG   LEU  34           HG       LEU  34  71.912  44.452 -15.980
  245   HD11  LEU  34          1HD2      LEU  34  69.257  46.052 -15.819
  246   HD12  LEU  34          2HD2      LEU  34  70.088  45.298 -14.437
  247   HD13  LEU  34          3HD2      LEU  34  69.421  44.283 -15.718
  248   HD21  LEU  34          2HD1      LEU  34  71.908  45.113 -18.403
  249   HD22  LEU  34          3HD1      LEU  34  70.461  44.176 -18.001
  250   HD23  LEU  34          1HD1      LEU  34  70.346  45.941 -18.197
  251    H    MET  35           H        MET  35  75.417  46.619 -14.462
  252    HA   MET  35           HA       MET  35  75.938  49.622 -14.441
  253    HB2  MET  35           1HB      MET  35  77.790  47.234 -13.849
  254    HB3  MET  35           2HB      MET  35  78.361  48.883 -13.990
  255    HG2  MET  35           2HG      MET  35  76.893  49.626 -12.087
  256    HG3  MET  35           1HG      MET  35  76.313  47.969 -11.868
  257    HE1  MET  35           2HE      MET  35  78.380  45.873 -11.772
  258    HE2  MET  35           1HE      MET  35  79.267  46.115 -10.239
  259    HE3  MET  35           3HE      MET  35  77.491  46.316 -10.281
  260    H    VAL  36           H        VAL  36  76.447  50.625 -16.276
  261    HA   VAL  36           HA       VAL  36  77.223  49.060 -18.750
  262    HB   VAL  36           HB       VAL  36  75.363  50.636 -18.864
  263   HG11  VAL  36          1HG1      VAL  36  76.213  52.592 -17.480
  264   HG12  VAL  36          2HG1      VAL  36  77.365  52.985 -18.774
  265   HG13  VAL  36          3HG1      VAL  36  75.618  53.069 -19.081
  266   HG21  VAL  36          1HG2      VAL  36  77.638  51.347 -20.813
  267   HG22  VAL  36          2HG2      VAL  36  76.586  49.914 -20.925
  268   HG23  VAL  36          3HG2      VAL  36  75.890  51.533 -21.090
  269    H    GLY  37           H        GLY  37  79.231  48.390 -18.250
  270    HA2  GLY  37           1HA      GLY  37  81.481  50.326 -17.570
  271    HA3  GLY  37           2HA      GLY  37  81.621  48.587 -17.648
  272    H    GLY  38           H        GLY  38  81.844  47.598 -19.708
  273    HA2  GLY  38           1HA      GLY  38  82.050  49.074 -22.269
  274    HA3  GLY  38           2HA      GLY  38  83.664  48.864 -21.599
  275    H    VAL  39           H        VAL  39  80.840  47.164 -22.814
  276    HA   VAL  39           HA       VAL  39  82.380  44.531 -22.952
  277    HB   VAL  39           HB       VAL  39  80.344  43.443 -23.762
  278   HG11  VAL  39          1HG2      VAL  39  79.249  43.188 -21.570
  279   HG12  VAL  39          2HG2      VAL  39  81.001  43.319 -21.342
  280   HG13  VAL  39          3HG2      VAL  39  79.954  44.712 -20.981
  281   HG21  VAL  39          1HG1      VAL  39  78.698  45.928 -22.956
  282   HG22  VAL  39          2HG1      VAL  39  78.954  45.366 -24.625
  283   HG23  VAL  39          3HG1      VAL  39  78.076  44.346 -23.479
  284    H    VAL  40           H        VAL  40  83.635  44.286 -24.668
  285    HA   VAL  40           HA       VAL  40  82.931  45.619 -27.325
  286    HB   VAL  40           HB       VAL  40  85.183  45.120 -28.121
  287   HG11  VAL  40          1HG1      VAL  40  85.250  46.948 -25.642
  288   HG12  VAL  40          2HG1      VAL  40  86.350  47.008 -27.043
  289   HG13  VAL  40          3HG1      VAL  40  84.633  47.405 -27.247
  290   HG21  VAL  40          1HG2      VAL  40  85.941  43.292 -26.565
  291   HG22  VAL  40          2HG2      VAL  40  86.077  44.471 -25.240
  292   HG23  VAL  40          3HG2      VAL  40  87.114  44.615 -26.682
  293   HCG9  23Y 101          HCG9      EVG   1  68.433  48.129  11.031
  294   HCG3  23Y 101          HCG3      EVG   1  69.860  50.609  14.492
  295   HCG7  23Y 101          HCG7      EVG   1  72.340  48.367   9.315
  296   HCG4  23Y 101          HCG4      EVG   1  70.806  52.354  12.158
  297   HCB1  23Y 101          HCB1      EVG   1  67.697  52.488  12.058
  298   HCB2  23Y 101          HCB2      EVG   1  66.431  54.505  12.669
  299   HOB3  23Y 101          HOB3      EVG   1  66.082  56.067  14.193
  300   HCB4  23Y 101          HCB4      EVG   1  68.423  54.624  16.454
  301   HCB5  23Y 101          HCB5      EVG   1  69.689  52.600  15.870
  302   HCC1  23Y 101          HCC1      EVG   1  72.466  49.601  14.233
  303   HOC2  23Y 101          HOC2      EVG   1  74.125  48.989  15.575
  304   HCC3  23Y 101          HCC3      EVG   1  75.209  52.323  16.051
  305   HOC4  23Y 101          HOC4      EVG   1  74.906  54.471  15.591
  306   HCC5  23Y 101          HCC5      EVG   1  72.159  53.823  13.459
  307   HCD1  23Y 101          HCD1      EVG   1  73.455  51.418  11.387
  308   HCD2  23Y 101          HCD2      EVG   1  74.253  49.419   9.264
  309   HCE1  23Y 101          HCE1      EVG   1  77.606  53.486  11.178
  310   HOE2  23Y 101          HOE2      EVG   1  79.543  53.504  10.080
  311   HCE3  23Y 101          HCE3      EVG   1  78.622  50.746   8.055
  312   HCE4  23Y 101          HCE4      EVG   1  76.425  49.669   8.265
  313   HCE6  23Y 101          HCE6      EVG   1  75.404  52.464  11.396
  314   HCF5  23Y 101          HCF5      EVG   1  72.533  46.310   6.213
  315   HCF1  23Y 101          HCF1      EVG   1  71.571  45.918   8.721
  316   HCF2  23Y 101          HCF2      EVG   1  68.850  45.198   8.208
  317   HOF2  23Y 101          HOF2      EVG   1  69.780  43.394   7.328
  318   HCF3  23Y 101          HCF3      EVG   1  68.840  44.796   5.684
  319   HOF3  23Y 101          HOF3      EVG   1  68.963  47.460   6.613
  320   HCF4  23Y 101          HCF4      EVG   1  70.164  46.631   4.394
  321   HOF4  23Y 101          HOF4      EVG   1  71.463  44.393   5.536
  322   HF61  23Y 101          HF61      EVG   1  72.453  47.881   4.213
  323   HF62  23Y 101          HF62      EVG   1  71.233  48.848   5.054
  324   HCF6  23Y 101          HOF6      EVG   1  73.830  48.256   6.082
  325   HCG9  23Y 102          HCG9      EVG   2  56.798  51.167 -11.612
  326   HCG3  23Y 102          HCG3      EVG   2  56.362  54.219  -8.369
  327   HCG7  23Y 102          HCG7      EVG   2  59.752  49.172  -9.253
  328   HCG4  23Y 102          HCG4      EVG   2  59.404  54.271  -8.722
  329   HCB1  23Y 102          HCB1      EVG   2  58.243  55.511 -11.347
  330   HCB2  23Y 102          HCB2      EVG   2  58.374  57.899 -11.915
  331   HOB3  23Y 102          HOB3      EVG   2  57.955  59.981 -11.248
  332   HCB4  23Y 102          HCB4      EVG   2  56.588  58.909  -8.155
  333   HCB5  23Y 102          HCB5      EVG   2  56.449  56.522  -7.568
  334   HCC1  23Y 102          HCC1      EVG   2  57.044  52.335  -6.412
  335   HOC2  23Y 102          HOC2      EVG   2  56.366  51.887  -4.366
  336   HCC3  23Y 102          HCC3      EVG   2  58.429  54.379  -2.925
  337   HOC4  23Y 102          HOC4      EVG   2  59.872  56.044  -3.275
  338   HCC5  23Y 102          HCC5      EVG   2  59.863  55.564  -6.775
  339   HCD1  23Y 102          HCD1      EVG   2  60.516  52.203  -7.008
  340   HCD2  23Y 102          HCD2      EVG   2  61.189  49.318  -7.613
  341   HCE1  23Y 102          HCE1      EVG   2  63.635  52.349  -3.574
  342   HOE2  23Y 102          HOE2      EVG   2  65.227  51.171  -2.552
  343   HCE3  23Y 102          HCE3      EVG   2  64.637  48.302  -4.547
  344   HCE4  23Y 102          HCE4      EVG   2  62.946  48.296  -6.327
  345   HCE6  23Y 102          HCE6      EVG   2  61.943  52.377  -5.332
  346   HCF5  23Y 102          HCF5      EVG   2  60.595  45.850 -10.674
  347   HCF1  23Y 102          HCF1      EVG   2  58.289  47.212 -10.295
  348   HCF2  23Y 102          HCF2      EVG   2  57.196  47.343 -12.946
  349   HOF2  23Y 102          HOF2      EVG   2  58.133  45.039 -11.601
  350   HCF3  23Y 102          HCF3      EVG   2  58.615  45.633 -14.182
  351   HOF3  23Y 102          HOF3      EVG   2  59.815  48.115 -13.564
  352   HCF4  23Y 102          HCF4      EVG   2  61.159  45.879 -13.607
  353   HOF4  23Y 102          HOF4      EVG   2  60.009  43.983 -13.424
  354   HF61  23Y 102          HF61      EVG   2  62.530  47.313 -10.501
  355   HF62  23Y 102          HF62      EVG   2  62.899  45.982 -11.608
  356   HCF6  23Y 102          HOF6      EVG   2  63.511  48.118 -12.372
  Start of MODEL    6
    1    H1   ASP   1           1H       ASP   1  44.133  85.102 -13.655
    2    H2   ASP   1           2H       ASP   1  45.194  84.050 -12.997
    3    H3   ASP   1           3H       ASP   1  45.343  85.667 -12.645
    4    HA   ASP   1           HA       ASP   1  43.180  85.691 -11.535
    5    HB2  ASP   1           1HB      ASP   1  43.128  82.708 -12.346
    6    HB3  ASP   1           2HB      ASP   1  42.045  83.412 -11.154
    7    H    ALA   2           H        ALA   2  45.362  82.802 -10.964
    8    HA   ALA   2           HA       ALA   2  45.295  83.344  -8.024
    9    HB1  ALA   2           1HB      ALA   2  46.754  81.315  -7.924
   10    HB2  ALA   2           2HB      ALA   2  46.897  81.287  -9.690
   11    HB3  ALA   2           3HB      ALA   2  45.311  81.012  -8.909
   12    H    GLU   3           H        GLU   3  46.725  84.456  -6.881
   13    HA   GLU   3           HA       GLU   3  49.481  85.178  -8.014
   14    HB2  GLU   3           1HB      GLU   3  47.738  87.061  -8.208
   15    HB3  GLU   3           2HB      GLU   3  47.640  87.091  -6.453
   16    HG2  GLU   3           2HG      GLU   3  50.159  87.671  -6.378
   17    HG3  GLU   3           1HG      GLU   3  50.181  87.669  -8.147
   18    H    PHE   4           H        PHE   4  50.862  84.143  -6.755
   19    HA   PHE   4           HA       PHE   4  50.532  84.128  -3.704
   20    HB2  PHE   4           2HB      PHE   4  51.198  81.655  -5.424
   21    HB3  PHE   4           1HB      PHE   4  51.513  81.742  -3.717
   22    HD1  PHE   4           HD2      PHE   4  49.663  81.729  -2.031
   23    HD2  PHE   4           HD1      PHE   4  48.812  81.480  -6.239
   24    HE1  PHE   4           HE2      PHE   4  47.377  80.959  -1.532
   25    HE2  PHE   4           HE1      PHE   4  46.525  80.705  -5.716
   26    HZ   PHE   4           HZ       PHE   4  45.808  80.451  -3.373
   27    H    ARG   5           H        ARG   5  52.243  85.037  -2.848
   28    HA   ARG   5           HA       ARG   5  54.855  85.313  -4.396
   29    HB2  ARG   5           1HB      ARG   5  53.635  87.316  -3.361
   30    HB3  ARG   5           2HB      ARG   5  53.999  86.670  -1.769
   31    HG2  ARG   5           1HG      ARG   5  56.536  86.831  -2.392
   32    HG3  ARG   5           2HG      ARG   5  56.047  87.507  -3.930
   33    HD2  ARG   5           1HD      ARG   5  56.610  89.413  -2.664
   34    HD3  ARG   5           2HD      ARG   5  54.838  89.424  -2.653
   35    HE   ARG   5           HE       ARG   5  55.810  87.943  -0.296
   36   HH11  ARG   5          2HH1      ARG   5  55.747  91.241  -1.441
   37   HH12  ARG   5          1HH1      ARG   5  55.853  91.898   0.262
   38   HH21  ARG   5          2HH2      ARG   5  55.936  88.743   1.612
   39   HH22  ARG   5          1HH2      ARG   5  55.949  90.541   1.888
   40    H    HIS   6           H        HIS   6  56.260  83.690  -4.085
   41    HA   HIS   6           HA       HIS   6  56.279  82.045  -1.530
   42    HB2  HIS   6           2HB      HIS   6  56.248  80.996  -3.881
   43    HB3  HIS   6           1HB      HIS   6  57.873  81.603  -4.129
   44    HD2  HIS   6           HD2      HIS   6  55.866  78.957  -2.103
   45    HE1  HIS   6           HE1      HIS   6  59.901  78.027  -1.596
   46    HE2  HIS   6           HE2      HIS   6  57.532  77.122  -1.111
   47    H    ASP   7           H        ASP   7  57.595  82.622   0.045
   48    HA   ASP   7           HA       ASP   7  60.272  84.028  -0.526
   49    HB2  ASP   7           1HB      ASP   7  58.452  85.594   0.292
   50    HB3  ASP   7           2HB      ASP   7  58.348  84.686   1.795
   51    H    SER   8           H        SER   8  58.667  82.321   2.223
   52    HA   SER   8           HA       SER   8  61.339  81.155   3.059
   53    HB2  SER   8           1HB      SER   8  58.559  80.824   4.352
   54    HB3  SER   8           2HB      SER   8  60.075  80.205   5.002
   55    HG   SER   8           HG       SER   8  59.680  82.957   4.378
   56    H    GLY   9           H        GLY   9  62.001  79.173   2.551
   57    HA2  GLY   9           1HA      GLY   9  60.248  77.272   0.913
   58    HA3  GLY   9           2HA      GLY   9  61.982  77.159   1.083
   59    H    TYR  10           H        TYR  10  62.752  75.740   2.587
   60    HA   TYR  10           HA       TYR  10  60.756  74.159   4.259
   61    HB2  TYR  10           1HB      TYR  10  62.303  72.390   4.421
   62    HB3  TYR  10           2HB      TYR  10  62.051  72.812   2.761
   63    HD1  TYR  10           HD1      TYR  10  63.931  73.953   1.430
   64    HD2  TYR  10           HD2      TYR  10  64.535  72.529   5.431
   65    HE1  TYR  10           HE1      TYR  10  66.374  74.059   1.106
   66    HE2  TYR  10           HE2      TYR  10  66.974  72.632   5.099
   67    HH   TYR  10           HH       TYR  10  68.647  73.142   3.654
   68    H    GLU  11           H        GLU  11  60.346  75.533   5.903
   69    HA   GLU  11           HA       GLU  11  62.612  76.426   7.755
   70    HB2  GLU  11           1HB      GLU  11  60.886  78.054   6.858
   71    HB3  GLU  11           2HB      GLU  11  59.636  77.189   7.747
   72    HG2  GLU  11           2HG      GLU  11  60.870  77.758   9.934
   73    HG3  GLU  11           1HG      GLU  11  62.085  78.637   8.997
   74    H    VAL  12           H        VAL  12  63.152  74.458   8.639
   75    HA   VAL  12           HA       VAL  12  61.301  73.374  10.754
   76    HB   VAL  12           HB       VAL  12  61.765  70.979  10.281
   77   HG11  VAL  12          1HG2      VAL  12  59.559  71.990   9.648
   78   HG12  VAL  12          2HG2      VAL  12  60.001  70.613   8.618
   79   HG13  VAL  12          3HG2      VAL  12  60.162  72.277   8.004
   80   HG21  VAL  12          1HG1      VAL  12  62.693  71.749   7.446
   81   HG22  VAL  12          2HG1      VAL  12  62.420  70.112   8.083
   82   HG23  VAL  12          3HG1      VAL  12  63.734  71.091   8.744
   83    H    HIS  13           H        HIS  13  62.311  72.314  12.455
   84    HA   HIS  13           HA       HIS  13  64.988  73.382  13.172
   85    HB2  HIS  13           1HB      HIS  13  63.107  71.358  14.579
   86    HB3  HIS  13           2HB      HIS  13  64.627  71.857  15.266
   87    HD2  HIS  13           HD2      HIS  13  61.053  73.170  14.737
   88    HE1  HIS  13           HE1      HIS  13  63.099  76.116  16.867
   89    HE2  HIS  13           HE2      HIS  13  60.736  75.461  16.067
   90    H    HIS  14           H        HIS  14  66.852  72.157  13.848
   91    HA   HIS  14           HA       HIS  14  67.990  70.563  11.875
   92    HB2  HIS  14           2HB      HIS  14  68.762  70.684  14.839
   93    HB3  HIS  14           1HB      HIS  14  69.719  69.823  13.666
   94    HD2  HIS  14           HD2      HIS  14  71.007  71.237  11.688
   95    HE1  HIS  14           HE1      HIS  14  70.657  74.940  13.579
   96    HE2  HIS  14           HE2      HIS  14  71.917  73.748  11.671
   97    H    GLN  15           H        GLN  15  67.034  68.881  11.080
   98    HA   GLN  15           HA       GLN  15  66.666  66.299  12.718
   99    HB2  GLN  15           2HB      GLN  15  64.543  67.533  12.163
  100    HB3  GLN  15           1HB      GLN  15  64.927  67.481  10.452
  101    HG2  GLN  15           1HG      GLN  15  64.750  64.961  10.462
  102    HG3  GLN  15           2HG      GLN  15  64.447  64.956  12.195
  103   HE21  GLN  15          1HE2      GLN  15  62.301  65.466  12.875
  104   HE22  GLN  15          2HE2      GLN  15  60.976  65.789  11.637
  105    H    LYS  16           H        LYS  16  68.459  65.186  12.119
  106    HA   LYS  16           HA       LYS  16  69.485  65.234   9.232
  107    HB2  LYS  16           1HB      LYS  16  71.040  65.652  11.217
  108    HB3  LYS  16           2HB      LYS  16  70.738  64.011  11.740
  109    HG2  LYS  16           2HG      LYS  16  72.798  63.816  10.643
  110    HG3  LYS  16           1HG      LYS  16  71.675  63.197   9.469
  111    HD2  LYS  16           1HD      LYS  16  73.092  64.490   8.155
  112    HD3  LYS  16           2HD      LYS  16  71.726  65.576   8.333
  113    HE2  LYS  16           1HE      LYS  16  73.020  66.817  10.204
  114    HE3  LYS  16           2HE      LYS  16  74.358  65.687  10.006
  115    HZ1  LYS  16           2HZ      LYS  16  74.726  67.733   8.629
  116    HZ2  LYS  16           3HZ      LYS  16  73.331  67.486   7.798
  117    HZ3  LYS  16           1HZ      LYS  16  74.577  66.438   7.633
  118    H    LEU  17           H        LEU  17  67.365  64.288   8.788
  119    HA   LEU  17           HA       LEU  17  67.499  61.358   8.216
  120    HB2  LEU  17           1HB      LEU  17  66.571  61.442  10.634
  121    HB3  LEU  17           2HB      LEU  17  65.262  62.442  10.057
  122    HG   LEU  17           HG       LEU  17  64.620  60.429   8.466
  123   HD11  LEU  17          2HD1      LEU  17  66.388  58.864  10.475
  124   HD12  LEU  17          3HD1      LEU  17  66.765  59.083   8.750
  125   HD13  LEU  17          1HD1      LEU  17  65.328  58.165   9.233
  126   HD21  LEU  17          1HD2      LEU  17  63.313  59.316  10.257
  127   HD22  LEU  17          2HD2      LEU  17  64.314  60.076  11.517
  128   HD23  LEU  17          3HD2      LEU  17  63.277  61.073  10.467
  129    H    VAL  18           H        VAL  18  66.254  60.990   6.369
  130    HA   VAL  18           HA       VAL  18  64.868  63.336   5.051
  131    HB   VAL  18           HB       VAL  18  64.418  61.880   3.137
  132   HG11  VAL  18          1HG2      VAL  18  66.391  63.410   3.182
  133   HG12  VAL  18          2HG2      VAL  18  66.681  61.973   2.184
  134   HG13  VAL  18          3HG2      VAL  18  67.412  62.091   3.803
  135   HG21  VAL  18          1HG1      VAL  18  64.546  59.555   4.136
  136   HG22  VAL  18          2HG1      VAL  18  65.597  59.751   2.727
  137   HG23  VAL  18          3HG1      VAL  18  66.299  59.756   4.360
  138    H    PHE  19           H        PHE  19  63.298  63.711   6.555
  139    HA   PHE  19           HA       PHE  19  61.282  61.691   7.319
  140    HB2  PHE  19           2HB      PHE  19  62.137  63.688   8.717
  141    HB3  PHE  19           1HB      PHE  19  61.159  64.742   7.739
  142    HD1  PHE  19           HD1      PHE  19  61.133  62.116  10.359
  143    HD2  PHE  19           HD2      PHE  19  58.632  64.682   7.980
  144    HE1  PHE  19           HE1      PHE  19  59.240  61.691  11.876
  145    HE2  PHE  19           HE2      PHE  19  56.754  64.257   9.521
  146    HZ   PHE  19           HZ       PHE  19  57.050  62.754  11.457
  147    H    PHE  20           H        PHE  20  59.387  61.238   6.424
  148    HA   PHE  20           HA       PHE  20  58.019  63.146   4.464
  149    HB2  PHE  20           2HB      PHE  20  58.465  60.147   3.880
  150    HB3  PHE  20           1HB      PHE  20  57.383  61.181   2.996
  151    HD1  PHE  20           HD1      PHE  20  58.258  62.994   1.469
  152    HD2  PHE  20           HD2      PHE  20  60.926  60.315   3.519
  153    HE1  PHE  20           HE1      PHE  20  60.083  63.624  -0.062
  154    HE2  PHE  20           HE2      PHE  20  62.726  60.925   1.963
  155    HZ   PHE  20           HZ       PHE  20  62.321  62.598   0.184
  156    H    ALA  21           H        ALA  21  56.191  63.583   5.539
  157    HA   ALA  21           HA       ALA  21  54.770  61.514   7.245
  158    HB1  ALA  21           1HB      ALA  21  53.310  63.420   7.861
  159    HB2  ALA  21           2HB      ALA  21  55.020  63.841   8.062
  160    HB3  ALA  21           3HB      ALA  21  54.104  64.466   6.663
  161    H    GLU  22           H        GLU  22  54.736  60.244   5.149
  162    HA   GLU  22           HA       GLU  22  51.905  60.093   4.254
  163    HB2  GLU  22           2HB      GLU  22  52.267  60.109   1.826
  164    HB3  GLU  22           1HB      GLU  22  52.577  61.665   2.559
  165    HG2  GLU  22           1HG      GLU  22  55.082  61.297   2.303
  166    HG3  GLU  22           2HG      GLU  22  54.773  59.720   1.571
  167    H    ASP  23           H        ASP  23  51.327  58.030   3.401
  168    HA   ASP  23           HA       ASP  23  53.008  55.830   4.426
  169    HB2  ASP  23           1HB      ASP  23  51.220  54.337   3.890
  170    HB3  ASP  23           2HB      ASP  23  50.640  55.734   4.762
  171    H    VAL  24           H        VAL  24  54.869  55.756   3.360
  172    HA   VAL  24           HA       VAL  24  54.962  55.250   0.351
  173    HB   VAL  24           HB       VAL  24  57.285  55.692   2.297
  174   HG11  VAL  24          1HG1      VAL  24  57.339  55.647  -0.805
  175   HG12  VAL  24          2HG1      VAL  24  57.987  54.364   0.244
  176   HG13  VAL  24          3HG1      VAL  24  58.718  55.976   0.272
  177   HG21  VAL  24          1HG2      VAL  24  57.541  57.953   1.256
  178   HG22  VAL  24          2HG2      VAL  24  55.938  57.802   1.984
  179   HG23  VAL  24          3HG2      VAL  24  56.113  57.682   0.223
  180    H    GLY  25           H        GLY  25  54.388  53.226  -0.016
  181    HA2  GLY  25           1HA      GLY  25  55.899  50.873   1.306
  182    HA3  GLY  25           2HA      GLY  25  54.142  50.885   1.287
  183    H    SER  26           H        SER  26  57.011  50.769  -0.693
  184    HA   SER  26           HA       SER  26  55.488  50.157  -3.225
  185    HB2  SER  26           2HB      SER  26  57.658  50.246  -4.348
  186    HB3  SER  26           1HB      SER  26  57.400  51.680  -3.364
  187    HG   SER  26           HG       SER  26  59.495  50.762  -3.229
  188    H    ASN  27           H        ASN  27  55.487  48.223  -4.315
  189    HA   ASN  27           HA       ASN  27  55.914  45.729  -2.722
  190    HB2  ASN  27           2HB      ASN  27  53.949  46.163  -4.307
  191    HB3  ASN  27           1HB      ASN  27  55.052  46.003  -5.659
  192   HD21  ASN  27          2HD2      ASN  27  53.419  44.256  -3.073
  193   HD22  ASN  27          1HD2      ASN  27  53.799  42.610  -3.810
  194    H    LYS  28           H        LYS  28  58.069  45.720  -2.308
  195    HA   LYS  28           HA       LYS  28  60.154  45.641  -4.487
  196    HB2  LYS  28           1HB      LYS  28  60.351  45.416  -1.415
  197    HB3  LYS  28           2HB      LYS  28  61.740  45.277  -2.470
  198    HG2  LYS  28           2HG      LYS  28  61.446  47.589  -3.339
  199    HG3  LYS  28           1HG      LYS  28  59.965  47.797  -2.403
  200    HD2  LYS  28           1HD      LYS  28  61.309  47.431  -0.237
  201    HD3  LYS  28           2HD      LYS  28  62.754  47.210  -1.197
  202    HE2  LYS  28           1HE      LYS  28  62.971  49.427  -0.463
  203    HE3  LYS  28           2HE      LYS  28  62.471  49.615  -2.130
  204    HZ1  LYS  28           2HZ      LYS  28  60.632  49.791   0.276
  205    HZ2  LYS  28           3HZ      LYS  28  60.107  49.970  -1.265
  206    HZ3  LYS  28           1HZ      LYS  28  61.141  51.078  -0.606
  207    H    GLY  29           H        GLY  29  61.375  43.911  -5.061
  208    HA2  GLY  29           1HA      GLY  29  61.078  41.173  -3.824
  209    HA3  GLY  29           2HA      GLY  29  60.292  41.299  -5.391
  210    H    ALA  30           H        ALA  30  61.669  41.905  -7.220
  211    HA   ALA  30           HA       ALA  30  64.383  40.613  -7.107
  212    HB1  ALA  30           1HB      ALA  30  64.303  40.901  -9.596
  213    HB2  ALA  30           2HB      ALA  30  62.814  40.144  -8.998
  214    HB3  ALA  30           3HB      ALA  30  62.818  41.867  -9.464
  215    H    ILE  31           H        ILE  31  66.308  41.633  -7.105
  216    HA   ILE  31           HA       ILE  31  66.417  44.626  -6.893
  217    HB   ILE  31           HB       ILE  31  67.563  43.207  -5.246
  218   HG12  ILE  31          1HG1      ILE  31  69.678  44.968  -6.595
  219   HG13  ILE  31          2HG1      ILE  31  68.224  45.672  -5.919
  220   HG21  ILE  31          2HG2      ILE  31  69.685  42.536  -7.397
  221   HG22  ILE  31          3HG2      ILE  31  69.770  42.130  -5.667
  222   HG23  ILE  31          1HG2      ILE  31  68.536  41.380  -6.690
  223   HD11  ILE  31          1HD1      ILE  31  68.739  44.733  -3.636
  224   HD12  ILE  31          2HD1      ILE  31  70.263  44.054  -4.265
  225   HD13  ILE  31          3HD1      ILE  31  70.010  45.813  -4.250
  226    H    ILE  32           H        ILE  32  67.600  46.026  -8.192
  227    HA   ILE  32           HA       ILE  32  67.655  45.263 -11.086
  228    HB   ILE  32           HB       ILE  32  66.581  47.366 -10.352
  229   HG12  ILE  32          2HG1      ILE  32  67.616  48.965 -12.073
  230   HG13  ILE  32          1HG1      ILE  32  68.859  47.783 -12.383
  231   HG21  ILE  32          3HG2      ILE  32  67.803  49.406  -9.740
  232   HG22  ILE  32          1HG2      ILE  32  69.374  48.574  -9.833
  233   HG23  ILE  32          2HG2      ILE  32  68.204  48.146  -8.565
  234   HD11  ILE  32          1HD1      ILE  32  67.020  47.663 -14.071
  235   HD12  ILE  32          2HD1      ILE  32  65.802  47.404 -12.807
  236   HD13  ILE  32          3HD1      ILE  32  67.007  46.138 -13.160
  237    H    GLY  33           H        GLY  33  69.376  45.319 -12.462
  238    HA2  GLY  33           1HA      GLY  33  72.067  44.558 -11.288
  239    HA3  GLY  33           2HA      GLY  33  71.611  44.407 -12.965
  240    H    LEU  34           H        LEU  34  71.510  46.461 -14.230
  241    HA   LEU  34           HA       LEU  34  73.884  48.252 -13.556
  242    HB2  LEU  34           2HB      LEU  34  72.236  47.981 -16.127
  243    HB3  LEU  34           1HB      LEU  34  73.491  49.174 -15.924
  244    HG   LEU  34           HG       LEU  34  74.094  46.169 -15.653
  245   HD11  LEU  34          1HD2      LEU  34  74.851  46.235 -18.037
  246   HD12  LEU  34          2HD2      LEU  34  73.125  46.620 -17.927
  247   HD13  LEU  34          3HD2      LEU  34  74.307  47.923 -18.196
  248   HD21  LEU  34          2HD1      LEU  34  75.971  48.560 -16.285
  249   HD22  LEU  34          3HD1      LEU  34  75.877  47.723 -14.716
  250   HD23  LEU  34          1HD1      LEU  34  76.447  46.853 -16.148
  251    H    MET  35           H        MET  35  73.551  50.147 -12.633
  252    HA   MET  35           HA       MET  35  70.786  51.416 -12.499
  253    HB2  MET  35           1HB      MET  35  72.238  50.967 -10.431
  254    HB3  MET  35           2HB      MET  35  73.370  52.182 -11.009
  255    HG2  MET  35           2HG      MET  35  71.502  53.933 -10.858
  256    HG3  MET  35           1HG      MET  35  70.399  52.669 -10.266
  257    HE1  MET  35           2HE      MET  35  69.966  54.146  -8.068
  258    HE2  MET  35           1HE      MET  35  71.280  54.748  -7.015
  259    HE3  MET  35           3HE      MET  35  71.110  55.384  -8.678
  260    H    VAL  36           H        VAL  36  70.298  52.894 -14.009
  261    HA   VAL  36           HA       VAL  36  72.466  54.288 -15.601
  262    HB   VAL  36           HB       VAL  36  70.709  53.097 -16.808
  263   HG11  VAL  36          1HG1      VAL  36  68.708  55.322 -16.041
  264   HG12  VAL  36          2HG1      VAL  36  68.639  53.649 -15.447
  265   HG13  VAL  36          3HG1      VAL  36  68.441  53.979 -17.178
  266   HG21  VAL  36          1HG2      VAL  36  70.761  56.102 -17.486
  267   HG22  VAL  36          2HG2      VAL  36  72.025  54.922 -17.913
  268   HG23  VAL  36          3HG2      VAL  36  70.399  54.759 -18.595
  269    H    GLY  37           H        GLY  37  73.258  56.045 -14.741
  270    HA2  GLY  37           1HA      GLY  37  71.671  58.463 -14.053
  271    HA3  GLY  37           2HA      GLY  37  72.148  57.634 -12.578
  272    H    GLY  38           H        GLY  38  74.425  57.482 -12.101
  273    HA2  GLY  38           1HA      GLY  38  76.550  58.564 -13.813
  274    HA3  GLY  38           2HA      GLY  38  76.025  59.845 -12.715
  275    H    VAL  39           H        VAL  39  78.474  59.399 -12.469
  276    HA   VAL  39           HA       VAL  39  79.131  57.264 -10.438
  277    HB   VAL  39           HB       VAL  39  81.450  58.047 -10.429
  278   HG11  VAL  39          1HG1      VAL  39  80.488  57.319 -13.260
  279   HG12  VAL  39          2HG1      VAL  39  82.109  57.054 -12.572
  280   HG13  VAL  39          3HG1      VAL  39  80.717  56.169 -11.922
  281   HG21  VAL  39          1HG2      VAL  39  80.811  59.906 -12.812
  282   HG22  VAL  39          2HG2      VAL  39  81.283  60.450 -11.184
  283   HG23  VAL  39          3HG2      VAL  39  82.417  59.515 -12.156
  284    H    VAL  40           H        VAL  40  79.337  60.874 -10.294
  285    HA   VAL  40           HA       VAL  40  78.440  60.785  -7.442
  286    HB   VAL  40           HB       VAL  40  81.103  62.156  -8.176
  287   HG11  VAL  40          1HG2      VAL  40  79.687  62.116  -5.420
  288   HG12  VAL  40          2HG2      VAL  40  79.783  63.514  -6.514
  289   HG13  VAL  40          3HG2      VAL  40  81.263  62.869  -5.786
  290   HG21  VAL  40          1HG1      VAL  40  82.224  60.674  -6.485
  291   HG22  VAL  40          2HG1      VAL  40  80.682  59.833  -6.164
  292   HG23  VAL  40          3HG1      VAL  40  81.472  59.688  -7.746
  293   HCG9  23Y 101          HCG9      EVG   1  68.758  64.454   3.825
  294   HCG3  23Y 101          HCG3      EVG   1  66.427  66.647   6.981
  295   HCG7  23Y 101          HCG7      EVG   1  71.322  67.849   3.460
  296   HCG4  23Y 101          HCG4      EVG   1  66.445  68.779   4.781
  297   HCB1  23Y 101          HCB1      EVG   1  64.602  66.508   3.705
  298   HCB2  23Y 101          HCB2      EVG   1  62.157  66.704   3.525
  299   HOB3  23Y 101          HOB3      EVG   1  60.258  67.120   4.602
  300   HCB4  23Y 101          HCB4      EVG   1  61.920  67.799   7.657
  301   HCB5  23Y 101          HCB5      EVG   1  64.367  67.618   7.858
  302   HCC1  23Y 101          HCC1      EVG   1  68.715  68.061   7.779
  303   HOC2  23Y 101          HOC2      EVG   1  69.573  68.738   9.677
  304   HCC3  23Y 101          HCC3      EVG   1  67.571  71.684   9.757
  305   HOC4  23Y 101          HOC4      EVG   1  65.141  72.400   7.297
  306   HCC5  23Y 101          HCC5      EVG   1  65.636  70.546   6.124
  307   HCD1  23Y 101          HCD1      EVG   1  68.884  70.340   5.088
  308   HCD2  23Y 101          HCD2      EVG   1  71.610  69.964   3.825
  309   HCE1  23Y 101          HCE1      EVG   1  69.701  74.858   5.778
  310   HOE2  23Y 101          HOE2      EVG   1  71.167  76.495   5.391
  311   HCE3  23Y 101          HCE3      EVG   1  73.467  74.303   3.820
  312   HCE4  23Y 101          HCE4      EVG   1  72.986  71.914   3.539
  313   HCE6  23Y 101          HCE6      EVG   1  69.223  72.470   5.577
  314   HCF5  23Y 101          HCF5      EVG   1  70.538  61.375   3.151
  315   HCF1  23Y 101          HCF1      EVG   1  70.423  63.707   2.013
  316   HCF2  23Y 101          HCF2      EVG   1  73.430  64.165   2.522
  317   HOF2  23Y 101          HOF2      EVG   1  72.455  65.261   0.762
  318   HCF3  23Y 101          HCF3      EVG   1  72.167  61.781   1.037
  319   HOF3  23Y 101          HOF3      EVG   1  74.796  62.445   1.881
  320   HCF4  23Y 101          HCF4      EVG   1  73.537  61.729   3.800
  321   HOF4  23Y 101          HOF4      EVG   1  73.599  59.928   2.302
  322   HF61  23Y 101          HF61      EVG   1  72.044  61.502   5.841
  323   HF62  23Y 101          HF62      EVG   1  71.316  60.053   5.133
  324   HCF6  23Y 101          HOF6      EVG   1  69.912  62.466   5.682
  325   HCG9  23Y 102          HCG9      EVG   2  71.555  42.521   4.040
  326   HCG3  23Y 102          HCG3      EVG   2  70.129  46.139   6.260
  327   HCG7  23Y 102          HCG7      EVG   2  70.230  44.304   0.390
  328   HCG4  23Y 102          HCG4      EVG   2  67.608  45.486   4.647
  329   HCB1  23Y 102          HCB1      EVG   2  68.734  47.197   7.959
  330   HCB2  23Y 102          HCB2      EVG   2  67.257  46.894   9.906
  331   HOB3  23Y 102          HOB3      EVG   2  65.552  43.836  10.480
  332   HCB4  23Y 102          HCB4      EVG   2  66.414  42.882   8.663
  333   HCB5  23Y 102          HCB5      EVG   2  67.884  43.166   6.713
  334   HCC1  23Y 102          HCC1      EVG   2  70.612  47.800   4.048
  335   HOC2  23Y 102          HOC2      EVG   2  70.371  51.326   3.863
  336   HCC3  23Y 102          HCC3      EVG   2  68.215  51.323   4.420
  337   HOC4  23Y 102          HOC4      EVG   2  65.378  49.416   5.338
  338   HCC5  23Y 102          HCC5      EVG   2  66.463  47.498   5.144
  339   HCD1  23Y 102          HCD1      EVG   2  67.853  46.825   2.078
  340   HCD2  23Y 102          HCD2      EVG   2  68.950  45.812  -0.552
  341   HCE1  23Y 102          HCE1      EVG   2  65.204  49.963  -0.085
  342   HOE2  23Y 102          HOE2      EVG   2  65.227  50.063  -3.632
  343   HCE3  23Y 102          HCE3      EVG   2  66.666  48.377  -3.786
  344   HCE4  23Y 102          HCE4      EVG   2  68.084  46.803  -2.566
  345   HCE6  23Y 102          HCE6      EVG   2  66.580  48.376   1.162
  346   HCF5  23Y 102          HCF5      EVG   2  71.250  42.134  -2.542
  347   HCF1  23Y 102          HCF1      EVG   2  72.439  43.149  -0.297
  348   HCF2  23Y 102          HCF2      EVG   2  73.496  40.794   0.928
  349   HOF2  23Y 102          HOF2      EVG   2  74.809  40.819  -0.920
  350   HCF3  23Y 102          HCF3      EVG   2  73.336  39.098  -0.993
  351   HOF3  23Y 102          HOF3      EVG   2  72.213  39.004   1.028
  352   HCF4  23Y 102          HCF4      EVG   2  70.975  39.186  -2.124
  353   HOF4  23Y 102          HOF4      EVG   2  72.968  39.312  -3.172
  354   HF61  23Y 102          HF61      EVG   2  69.287  40.831  -3.396
  355   HF62  23Y 102          HF62      EVG   2  68.821  42.180  -2.358
  356   HCF6  23Y 102          HOF6      EVG   2  69.151  39.543  -1.347
  Start of MODEL    7
    1    H1   ASP   1           1H       ASP   1  42.893  91.055  17.092
    2    H2   ASP   1           2H       ASP   1  44.317  90.405  16.483
    3    H3   ASP   1           3H       ASP   1  44.220  92.007  16.747
    4    HA   ASP   1           HA       ASP   1  42.617  92.298  14.992
    5    HB2  ASP   1           1HB      ASP   1  44.115  91.955  13.122
    6    HB3  ASP   1           2HB      ASP   1  45.018  92.532  14.503
    7    H    ALA   2           H        ALA   2  43.660  88.804  14.761
    8    HA   ALA   2           HA       ALA   2  41.100  88.157  13.338
    9    HB1  ALA   2           1HB      ALA   2  43.257  87.162  12.637
   10    HB2  ALA   2           2HB      ALA   2  43.446  86.361  14.219
   11    HB3  ALA   2           3HB      ALA   2  42.113  85.899  13.138
   12    H    GLU   3           H        GLU   3  39.421  88.467  14.748
   13    HA   GLU   3           HA       GLU   3  39.328  86.974  17.388
   14    HB2  GLU   3           2HB      GLU   3  37.456  88.241  18.000
   15    HB3  GLU   3           1HB      GLU   3  38.706  89.304  17.404
   16    HG2  GLU   3           2HG      GLU   3  37.357  89.536  15.188
   17    HG3  GLU   3           1HG      GLU   3  36.080  88.577  15.934
   18    H    PHE   4           H        PHE   4  39.471  84.929  16.442
   19    HA   PHE   4           HA       PHE   4  36.763  83.751  15.685
   20    HB2  PHE   4           2HB      PHE   4  38.274  84.336  13.593
   21    HB3  PHE   4           1HB      PHE   4  39.292  83.011  14.076
   22    HD1  PHE   4           HD1      PHE   4  35.975  83.998  12.744
   23    HD2  PHE   4           HD2      PHE   4  38.379  80.625  13.909
   24    HE1  PHE   4           HE1      PHE   4  34.439  82.484  11.557
   25    HE2  PHE   4           HE2      PHE   4  36.834  79.124  12.715
   26    HZ   PHE   4           HZ       PHE   4  34.864  80.049  11.538
   27    H    ARG   5           H        ARG   5  36.371  82.090  16.970
   28    HA   ARG   5           HA       ARG   5  38.595  80.766  18.588
   29    HB2  ARG   5           1HB      ARG   5  35.545  80.626  18.855
   30    HB3  ARG   5           2HB      ARG   5  36.611  79.605  19.778
   31    HG2  ARG   5           2HG      ARG   5  36.792  82.684  19.909
   32    HG3  ARG   5           1HG      ARG   5  35.677  81.747  20.892
   33    HD2  ARG   5           1HD      ARG   5  37.592  80.490  21.961
   34    HD3  ARG   5           2HD      ARG   5  38.755  81.424  20.987
   35    HE   ARG   5           HE       ARG   5  36.955  83.302  22.361
   36   HH11  ARG   5          1HH1      ARG   5  39.574  81.146  23.189
   37   HH12  ARG   5          2HH1      ARG   5  40.021  82.162  24.643
   38   HH21  ARG   5          1HH2      ARG   5  37.503  84.408  24.016
   39   HH22  ARG   5          2HH2      ARG   5  38.897  83.909  25.071
   40    H    HIS   6           H        HIS   6  39.471  79.003  17.796
   41    HA   HIS   6           HA       HIS   6  38.104  77.281  15.704
   42    HB2  HIS   6           2HB      HIS   6  40.984  77.336  16.815
   43    HB3  HIS   6           1HB      HIS   6  40.420  76.098  15.724
   44    HD2  HIS   6           HD2      HIS   6  39.878  76.759  13.132
   45    HE1  HIS   6           HE1      HIS   6  41.638  80.541  13.253
   46    HE2  HIS   6           HE2      HIS   6  40.726  78.777  11.603
   47    H    ASP   7           H        ASP   7  37.102  75.448  16.196
   48    HA   ASP   7           HA       ASP   7  37.196  74.304  18.986
   49    HB2  ASP   7           2HB      ASP   7  35.022  74.750  17.723
   50    HB3  ASP   7           1HB      ASP   7  35.442  73.458  16.599
   51    H    SER   8           H        SER   8  38.446  72.663  19.480
   52    HA   SER   8           HA       SER   8  39.601  70.787  17.346
   53    HB2  SER   8           1HB      SER   8  41.811  70.792  18.429
   54    HB3  SER   8           2HB      SER   8  41.375  72.396  17.850
   55    HG   SER   8           HG       SER   8  40.660  72.822  20.063
   56    H    GLY   9           H        GLY   9  39.331  68.730  17.779
   57    HA2  GLY   9           1HA      GLY   9  38.146  67.790  20.422
   58    HA3  GLY   9           2HA      GLY   9  38.264  66.832  18.967
   59    H    TYR  10           H        TYR  10  40.499  66.103  18.370
   60    HA   TYR  10           HA       TYR  10  41.915  65.010  20.792
   61    HB2  TYR  10           2HB      TYR  10  43.209  63.608  19.285
   62    HB3  TYR  10           1HB      TYR  10  41.502  63.397  19.108
   63    HD1  TYR  10           HD2      TYR  10  44.527  64.880  17.430
   64    HD2  TYR  10           HD1      TYR  10  40.410  63.747  16.934
   65    HE1  TYR  10           HE2      TYR  10  44.757  65.109  14.998
   66    HE2  TYR  10           HE1      TYR  10  40.645  64.009  14.497
   67    HH   TYR  10           HH       TYR  10  42.017  64.533  12.815
   68    H    GLU  11           H        GLU  11  43.598  65.945  21.714
   69    HA   GLU  11           HA       GLU  11  45.143  68.173  20.321
   70    HB2  GLU  11           2HB      GLU  11  44.063  68.437  22.614
   71    HB3  GLU  11           1HB      GLU  11  45.199  67.255  23.243
   72    HG2  GLU  11           1HG      GLU  11  46.125  69.379  23.813
   73    HG3  GLU  11           2HG      GLU  11  47.123  68.865  22.465
   74    H    VAL  12           H        VAL  12  46.105  66.705  18.853
   75    HA   VAL  12           HA       VAL  12  48.821  65.828  19.742
   76    HB   VAL  12           HB       VAL  12  48.889  63.666  18.492
   77   HG11  VAL  12          1HG1      VAL  12  48.134  62.239  20.350
   78   HG12  VAL  12          2HG1      VAL  12  48.882  63.715  20.994
   79   HG13  VAL  12          3HG1      VAL  12  47.114  63.546  20.998
   80   HG21  VAL  12          1HG2      VAL  12  46.911  62.235  18.159
   81   HG22  VAL  12          2HG2      VAL  12  46.712  63.709  17.200
   82   HG23  VAL  12          3HG2      VAL  12  45.822  63.519  18.731
   83    H    HIS  13           H        HIS  13  49.895  67.179  18.486
   84    HA   HIS  13           HA       HIS  13  48.915  67.956  15.754
   85    HB2  HIS  13           1HB      HIS  13  51.355  68.919  17.365
   86    HB3  HIS  13           2HB      HIS  13  50.989  69.464  15.748
   87    HD2  HIS  13           HD2      HIS  13  49.692  69.862  19.381
   88    HE1  HIS  13           HE1      HIS  13  47.548  72.554  17.035
   89    HE2  HIS  13           HE2      HIS  13  47.875  71.787  19.477
   90    H    HIS  14           H        HIS  14  52.019  66.416  16.803
   91    HA   HIS  14           HA       HIS  14  52.077  64.922  14.153
   92    HB2  HIS  14           2HB      HIS  14  54.435  66.679  15.115
   93    HB3  HIS  14           1HB      HIS  14  54.589  65.431  13.902
   94    HD2  HIS  14           HD2      HIS  14  53.109  68.972  14.365
   95    HE1  HIS  14           HE1      HIS  14  52.796  68.073  10.305
   96    HE2  HIS  14           HE2      HIS  14  52.483  70.006  11.984
   97    H    GLN  15           H        GLN  15  52.654  62.863  14.457
   98    HA   GLN  15           HA       GLN  15  53.624  61.878  17.167
   99    HB2  GLN  15           1HB      GLN  15  52.818  60.332  14.621
  100    HB3  GLN  15           2HB      GLN  15  53.392  59.564  16.076
  101    HG2  GLN  15           2HG      GLN  15  50.814  61.259  15.983
  102    HG3  GLN  15           1HG      GLN  15  50.863  59.533  15.730
  103   HE21  GLN  15          2HE2      GLN  15  51.254  58.160  17.559
  104   HE22  GLN  15          1HE2      GLN  15  51.089  58.863  19.254
  105    H    LYS  16           H        LYS  16  55.738  61.370  17.544
  106    HA   LYS  16           HA       LYS  16  57.780  61.402  15.282
  107    HB2  LYS  16           2HB      LYS  16  58.052  62.653  17.477
  108    HB3  LYS  16           1HB      LYS  16  58.297  61.129  18.295
  109    HG2  LYS  16           1HG      LYS  16  60.051  62.132  15.929
  110    HG3  LYS  16           2HG      LYS  16  60.326  62.610  17.591
  111    HD2  LYS  16           2HD      LYS  16  60.622  60.206  18.285
  112    HD3  LYS  16           1HD      LYS  16  60.460  59.673  16.632
  113    HE2  LYS  16           2HE      LYS  16  62.660  61.665  17.559
  114    HE3  LYS  16           1HE      LYS  16  62.861  59.920  17.613
  115    HZ1  LYS  16           2HZ      LYS  16  62.268  61.450  15.078
  116    HZ2  LYS  16           3HZ      LYS  16  63.732  60.808  15.469
  117    HZ3  LYS  16           1HZ      LYS  16  62.452  59.825  15.159
  118    H    LEU  17           H        LEU  17  56.481  59.588  14.478
  119    HA   LEU  17           HA       LEU  17  57.995  57.150  14.299
  120    HB2  LEU  17           1HB      LEU  17  56.511  55.404  15.249
  121    HB3  LEU  17           2HB      LEU  17  57.324  56.388  16.420
  122    HG   LEU  17           HG       LEU  17  55.083  57.695  16.738
  123   HD11  LEU  17          2HD1      LEU  17  53.923  55.152  15.377
  124   HD12  LEU  17          3HD1      LEU  17  53.818  56.801  14.728
  125   HD13  LEU  17          1HD1      LEU  17  52.995  56.401  16.240
  126   HD21  LEU  17          1HD2      LEU  17  54.260  55.971  18.362
  127   HD22  LEU  17          2HD2      LEU  17  56.027  56.068  18.414
  128   HD23  LEU  17          3HD2      LEU  17  55.239  54.714  17.571
  129    H    VAL  18           H        VAL  18  57.176  55.810  12.558
  130    HA   VAL  18           HA       VAL  18  55.420  57.292  10.679
  131    HB   VAL  18           HB       VAL  18  55.499  55.353   9.143
  132   HG11  VAL  18          1HG1      VAL  18  58.235  56.529   9.885
  133   HG12  VAL  18          2HG1      VAL  18  57.755  55.833   8.315
  134   HG13  VAL  18          3HG1      VAL  18  56.990  57.322   8.890
  135   HG21  VAL  18          1HG2      VAL  18  57.163  53.580   9.315
  136   HG22  VAL  18          2HG2      VAL  18  57.680  54.120  10.929
  137   HG23  VAL  18          3HG2      VAL  18  56.051  53.443  10.684
  138    H    PHE  19           H        PHE  19  53.525  57.619  11.558
  139    HA   PHE  19           HA       PHE  19  51.749  55.370  12.493
  140    HB2  PHE  19           2HB      PHE  19  52.023  57.661  13.661
  141    HB3  PHE  19           1HB      PHE  19  51.149  58.387  12.344
  142    HD1  PHE  19           HD1      PHE  19  50.896  56.120  15.290
  143    HD2  PHE  19           HD2      PHE  19  48.682  57.915  12.069
  144    HE1  PHE  19           HE1      PHE  19  48.782  55.569  16.426
  145    HE2  PHE  19           HE2      PHE  19  46.582  57.311  13.193
  146    HZ   PHE  19           HZ       PHE  19  46.622  56.174  15.386
  147    H    PHE  20           H        PHE  20  51.315  54.220  10.677
  148    HA   PHE  20           HA       PHE  20  49.305  55.458   8.708
  149    HB2  PHE  20           1HB      PHE  20  51.526  53.487   7.873
  150    HB3  PHE  20           2HB      PHE  20  50.176  53.961   6.886
  151    HD1  PHE  20           HD1      PHE  20  50.031  56.278   5.892
  152    HD2  PHE  20           HD2      PHE  20  53.412  55.059   8.242
  153    HE1  PHE  20           HE1      PHE  20  51.325  58.191   5.032
  154    HE2  PHE  20           HE2      PHE  20  54.703  56.979   7.372
  155    HZ   PHE  20           HZ       PHE  20  53.659  58.545   5.770
  156    H    ALA  21           H        ALA  21  47.575  54.596   9.758
  157    HA   ALA  21           HA       ALA  21  47.426  51.688  10.522
  158    HB1  ALA  21           1HB      ALA  21  46.328  53.458  11.877
  159    HB2  ALA  21           2HB      ALA  21  45.135  52.301  11.255
  160    HB3  ALA  21           3HB      ALA  21  45.280  53.904  10.501
  161    H    GLU  22           H        GLU  22  48.192  51.238   8.264
  162    HA   GLU  22           HA       GLU  22  45.933  50.018   6.752
  163    HB2  GLU  22           1HB      GLU  22  46.480  50.867   4.519
  164    HB3  GLU  22           2HB      GLU  22  45.843  52.100   5.582
  165    HG2  GLU  22           2HG      GLU  22  48.149  53.112   5.833
  166    HG3  GLU  22           1HG      GLU  22  48.835  51.848   4.809
  167    H    ASP  23           H        ASP  23  46.491  48.114   5.963
  168    HA   ASP  23           HA       ASP  23  49.369  47.144   6.173
  169    HB2  ASP  23           1HB      ASP  23  46.724  45.618   5.765
  170    HB3  ASP  23           2HB      ASP  23  48.307  44.869   5.677
  171    H    VAL  24           H        VAL  24  50.494  47.735   4.442
  172    HA   VAL  24           HA       VAL  24  49.553  46.901   1.685
  173    HB   VAL  24           HB       VAL  24  48.882  49.265   1.984
  174   HG11  VAL  24          1HG1      VAL  24  50.438  51.157   1.902
  175   HG12  VAL  24          2HG1      VAL  24  51.861  50.078   1.912
  176   HG13  VAL  24          3HG1      VAL  24  50.800  50.190   3.339
  177   HG21  VAL  24          1HG2      VAL  24  49.274  48.319  -0.310
  178   HG22  VAL  24          2HG2      VAL  24  50.949  48.930  -0.281
  179   HG23  VAL  24          3HG2      VAL  24  49.579  50.061  -0.231
  180    H    GLY  25           H        GLY  25  51.055  46.248   0.313
  181    HA2  GLY  25           1HA      GLY  25  54.005  46.528   0.683
  182    HA3  GLY  25           2HA      GLY  25  53.443  44.967   1.289
  183    H    SER  26           H        SER  26  53.622  47.001  -1.575
  184    HA   SER  26           HA       SER  26  53.816  44.564  -3.375
  185    HB2  SER  26           2HB      SER  26  51.611  46.659  -3.881
  186    HB3  SER  26           1HB      SER  26  52.087  45.367  -4.983
  187    HG   SER  26           HG       SER  26  51.252  44.874  -2.311
  188    H    ASN  27           H        ASN  27  55.920  45.384  -3.289
  189    HA   ASN  27           HA       ASN  27  56.712  46.936  -5.614
  190    HB2  ASN  27           1HB      ASN  27  56.107  48.877  -3.912
  191    HB3  ASN  27           2HB      ASN  27  57.534  48.412  -3.025
  192   HD21  ASN  27          2HD2      ASN  27  56.367  49.848  -6.011
  193   HD22  ASN  27          1HD2      ASN  27  58.024  50.515  -6.470
  194    H    LYS  28           H        LYS  28  57.877  45.851  -2.407
  195    HA   LYS  28           HA       LYS  28  60.610  45.324  -3.271
  196    HB2  LYS  28           2HB      LYS  28  60.953  44.347  -1.069
  197    HB3  LYS  28           1HB      LYS  28  60.078  45.838  -0.976
  198    HG2  LYS  28           2HG      LYS  28  57.946  43.969  -0.918
  199    HG3  LYS  28           1HG      LYS  28  59.244  43.008  -0.241
  200    HD2  LYS  28           1HD      LYS  28  59.712  44.887   1.446
  201    HD3  LYS  28           2HD      LYS  28  58.354  45.793   0.823
  202    HE2  LYS  28           1HE      LYS  28  58.117  42.944   2.063
  203    HE3  LYS  28           2HE      LYS  28  58.004  44.421   3.008
  204    HZ1  LYS  28           2HZ      LYS  28  56.135  43.743   0.737
  205    HZ2  LYS  28           3HZ      LYS  28  55.750  43.674   2.334
  206    HZ3  LYS  28           1HZ      LYS  28  56.065  45.125   1.630
  207    H    GLY  29           H        GLY  29  61.661  43.601  -3.945
  208    HA2  GLY  29           1HA      GLY  29  61.110  40.773  -3.801
  209    HA3  GLY  29           2HA      GLY  29  60.208  41.309  -5.211
  210    H    ALA  30           H        ALA  30  61.391  42.194  -6.984
  211    HA   ALA  30           HA       ALA  30  64.160  41.022  -7.339
  212    HB1  ALA  30           1HB      ALA  30  62.426  40.652  -9.103
  213    HB2  ALA  30           2HB      ALA  30  63.787  41.586  -9.751
  214    HB3  ALA  30           3HB      ALA  30  62.266  42.412  -9.352
  215    H    ILE  31           H        ILE  31  65.986  42.177  -7.345
  216    HA   ILE  31           HA       ILE  31  65.924  45.204  -7.735
  217    HB   ILE  31           HB       ILE  31  66.067  44.720  -5.344
  218   HG12  ILE  31          1HG1      ILE  31  68.716  46.026  -6.153
  219   HG13  ILE  31          2HG1      ILE  31  67.194  46.759  -6.606
  220   HG21  ILE  31          2HG2      ILE  31  67.423  42.603  -5.278
  221   HG22  ILE  31          3HG2      ILE  31  68.101  43.846  -4.214
  222   HG23  ILE  31          1HG2      ILE  31  68.873  43.499  -5.778
  223   HD11  ILE  31          1HD1      ILE  31  66.458  46.904  -4.195
  224   HD12  ILE  31          2HD1      ILE  31  68.013  46.209  -3.678
  225   HD13  ILE  31          3HD1      ILE  31  67.970  47.781  -4.506
  226    H    ILE  32           H        ILE  32  66.812  45.535  -9.662
  227    HA   ILE  32           HA       ILE  32  68.845  43.625 -10.793
  228    HB   ILE  32           HB       ILE  32  68.870  44.958 -12.858
  229   HG12  ILE  32          1HG1      ILE  32  66.343  46.489 -12.068
  230   HG13  ILE  32          2HG1      ILE  32  67.901  47.168 -11.657
  231   HG21  ILE  32          3HG2      ILE  32  67.441  42.944 -12.653
  232   HG22  ILE  32          1HG2      ILE  32  66.075  43.933 -12.090
  233   HG23  ILE  32          2HG2      ILE  32  66.710  44.136 -13.740
  234   HD11  ILE  32          1HD1      ILE  32  67.167  48.092 -13.820
  235   HD12  ILE  32          2HD1      ILE  32  67.043  46.474 -14.544
  236   HD13  ILE  32          3HD1      ILE  32  68.634  47.128 -14.075
  237    H    GLY  33           H        GLY  33  70.940  43.952 -11.105
  238    HA2  GLY  33           1HA      GLY  33  72.258  46.630 -10.271
  239    HA3  GLY  33           2HA      GLY  33  72.869  45.100  -9.678
  240    H    LEU  34           H        LEU  34  72.344  47.009 -12.577
  241    HA   LEU  34           HA       LEU  34  74.187  45.265 -14.252
  242    HB2  LEU  34           2HB      LEU  34  71.973  46.234 -15.131
  243    HB3  LEU  34           1HB      LEU  34  72.681  47.829 -15.000
  244    HG   LEU  34           HG       LEU  34  74.544  46.983 -16.654
  245   HD11  LEU  34          2HD1      LEU  34  72.445  44.757 -17.185
  246   HD12  LEU  34          3HD1      LEU  34  73.897  45.084 -18.155
  247   HD13  LEU  34          1HD1      LEU  34  74.063  44.486 -16.496
  248   HD21  LEU  34          1HD2      LEU  34  73.079  47.437 -18.634
  249   HD22  LEU  34          2HD2      LEU  34  72.710  48.560 -17.314
  250   HD23  LEU  34          3HD2      LEU  34  71.619  47.194 -17.645
  251    H    MET  35           H        MET  35  76.305  45.588 -13.964
  252    HA   MET  35           HA       MET  35  77.432  48.413 -13.925
  253    HB2  MET  35           1HB      MET  35  79.063  47.990 -12.208
  254    HB3  MET  35           2HB      MET  35  77.430  47.882 -11.596
  255    HG2  MET  35           1HG      MET  35  77.616  45.357 -11.484
  256    HG3  MET  35           2HG      MET  35  79.271  45.453 -12.127
  257    HE1  MET  35           2HE      MET  35  80.222  44.182  -9.999
  258    HE2  MET  35           1HE      MET  35  78.566  44.061  -9.322
  259    HE3  MET  35           3HE      MET  35  79.903  44.688  -8.313
  260    H    VAL  36           H        VAL  36  78.686  48.630 -15.591
  261    HA   VAL  36           HA       VAL  36  80.184  46.224 -16.796
  262    HB   VAL  36           HB       VAL  36  79.431  48.865 -18.158
  263   HG11  VAL  36          1HG1      VAL  36  80.315  47.855 -20.261
  264   HG12  VAL  36          2HG1      VAL  36  81.608  47.930 -19.058
  265   HG13  VAL  36          3HG1      VAL  36  80.808  46.378 -19.400
  266   HG21  VAL  36          1HG2      VAL  36  77.430  47.311 -17.923
  267   HG22  VAL  36          2HG2      VAL  36  78.336  46.017 -18.733
  268   HG23  VAL  36          3HG2      VAL  36  77.917  47.508 -19.613
  269    H    GLY  37           H        GLY  37  81.987  46.195 -15.603
  270    HA2  GLY  37           1HA      GLY  37  83.459  48.721 -14.749
  271    HA3  GLY  37           2HA      GLY  37  83.851  47.098 -14.242
  272    H    GLY  38           H        GLY  38  85.066  45.774 -15.663
  273    HA2  GLY  38           1HA      GLY  38  86.093  46.462 -18.296
  274    HA3  GLY  38           2HA      GLY  38  87.232  47.161 -17.151
  275    H    VAL  39           H        VAL  39  85.815  44.182 -18.290
  276    HA   VAL  39           HA       VAL  39  88.294  42.626 -17.442
  277    HB   VAL  39           HB       VAL  39  85.448  41.609 -16.857
  278   HG11  VAL  39          1HG2      VAL  39  86.968  39.730 -17.614
  279   HG12  VAL  39          2HG2      VAL  39  88.139  40.156 -16.345
  280   HG13  VAL  39          3HG2      VAL  39  86.518  39.562 -15.912
  281   HG21  VAL  39          1HG1      VAL  39  87.716  42.213 -14.828
  282   HG22  VAL  39          2HG1      VAL  39  86.251  43.189 -15.042
  283   HG23  VAL  39          3HG1      VAL  39  86.114  41.532 -14.442
  284    H    VAL  40           H        VAL  40  89.041  42.315 -19.466
  285    HA   VAL  40           HA       VAL  40  87.124  41.694 -21.754
  286    HB   VAL  40           HB       VAL  40  88.555  43.710 -21.999
  287   HG11  VAL  40          1HG2      VAL  40  90.984  41.841 -22.350
  288   HG12  VAL  40          2HG2      VAL  40  90.740  42.925 -20.969
  289   HG13  VAL  40          3HG2      VAL  40  90.953  43.604 -22.598
  290   HG21  VAL  40          1HG1      VAL  40  89.091  41.569 -24.142
  291   HG22  VAL  40          2HG1      VAL  40  89.154  43.337 -24.365
  292   HG23  VAL  40          3HG1      VAL  40  87.610  42.543 -24.000
  293   HCG9  23Y 101          HCG9      EVG   1  47.432  58.093  20.243
  294   HCG3  23Y 101          HCG3      EVG   1  44.412  57.640  16.935
  295   HCG7  23Y 101          HCG7      EVG   1  44.366  59.715  22.717
  296   HCG4  23Y 101          HCG4      EVG   1  43.958  60.580  17.671
  297   HCB1  23Y 101          HCB1      EVG   1  46.790  60.469  16.326
  298   HCB2  23Y 101          HCB2      EVG   1  47.264  61.362  14.086
  299   HOB3  23Y 101          HOB3      EVG   1  46.688  61.356  11.934
  300   HCB4  23Y 101          HCB4      EVG   1  44.052  59.042  12.459
  301   HCB5  23Y 101          HCB5      EVG   1  43.563  58.135  14.696
  302   HCC1  23Y 101          HCC1      EVG   1  41.980  60.874  16.408
  303   HOC2  23Y 101          HOC2      EVG   1  40.020  61.219  15.456
  304   HCC3  23Y 101          HCC3      EVG   1  38.611  58.289  16.861
  305   HOC4  23Y 101          HOC4      EVG   1  38.925  56.476  18.118
  306   HCC5  23Y 101          HCC5      EVG   1  42.310  57.284  18.758
  307   HCD1  23Y 101          HCD1      EVG   1  41.992  60.632  19.813
  308   HCD2  23Y 101          HCD2      EVG   1  42.405  60.670  22.810
  309   HCE1  23Y 101          HCE1      EVG   1  37.848  62.675  20.227
  310   HOE2  23Y 101          HOE2      EVG   1  36.414  63.537  21.704
  311   HCE3  23Y 101          HCE3      EVG   1  38.530  62.810  24.451
  312   HCE4  23Y 101          HCE4      EVG   1  40.699  61.701  24.152
  313   HCE6  23Y 101          HCE6      EVG   1  39.991  61.557  19.895
  314   HCF5  23Y 101          HCF5      EVG   1  45.314  55.189  24.297
  315   HCF1  23Y 101          HCF1      EVG   1  46.914  56.596  22.817
  316   HCF2  23Y 101          HCF2      EVG   1  47.541  58.469  25.177
  317   HOF2  23Y 101          HOF2      EVG   1  49.620  57.753  24.796
  318   HCF3  23Y 101          HCF3      EVG   1  47.854  55.400  25.145
  319   HOF3  23Y 101          HOF3      EVG   1  49.237  56.533  26.523
  320   HCF4  23Y 101          HCF4      EVG   1  45.786  57.029  26.730
  321   HOF4  23Y 101          HOF4      EVG   1  46.654  55.037  27.524
  322   HF61  23Y 101          HF61      EVG   1  42.988  55.924  24.356
  323   HF62  23Y 101          HF62      EVG   1  43.398  55.189  25.907
  324   HCF6  23Y 101          HOF6      EVG   1  43.770  57.379  26.678
  325   HCG9  23Y 102          HCG9      EVG   2  73.340  48.523   2.273
  326   HCG3  23Y 102          HCG3      EVG   2  72.548  44.145   2.861
  327   HCG7  23Y 102          HCG7      EVG   2  69.356  48.970   0.808
  328   HCG4  23Y 102          HCG4      EVG   2  71.623  44.439  -0.043
  329   HCB1  23Y 102          HCB1      EVG   2  74.727  44.797  -0.122
  330   HCB2  23Y 102          HCB2      EVG   2  76.270  43.109  -1.050
  331   HOB3  23Y 102          HOB3      EVG   2  76.202  39.737   0.049
  332   HCB4  23Y 102          HCB4      EVG   2  74.543  40.119   1.484
  333   HCB5  23Y 102          HCB5      EVG   2  73.000  41.783   2.419
  334   HCC1  23Y 102          HCC1      EVG   2  70.567  42.316  -0.213
  335   HOC2  23Y 102          HOC2      EVG   2  68.103  39.962   0.721
  336   HCC3  23Y 102          HCC3      EVG   2  67.598  41.060   2.586
  337   HOC4  23Y 102          HOC4      EVG   2  67.321  42.346   4.375
  338   HCC5  23Y 102          HCC5      EVG   2  69.830  44.622   3.350
  339   HCD1  23Y 102          HCD1      EVG   2  68.834  45.245   0.009
  340   HCD2  23Y 102          HCD2      EVG   2  67.606  48.013  -0.040
  341   HCE1  23Y 102          HCE1      EVG   2  65.043  43.366  -1.834
  342   HOE2  23Y 102          HOE2      EVG   2  63.108  43.796  -2.594
  343   HCE3  23Y 102          HCE3      EVG   2  63.367  47.304  -2.010
  344   HCE4  23Y 102          HCE4      EVG   2  65.399  48.227  -0.982
  345   HCE6  23Y 102          HCE6      EVG   2  67.067  44.246  -0.810
  346   HCF5  23Y 102          HCF5      EVG   2  74.476  51.540   3.935
  347   HCF1  23Y 102          HCF1      EVG   2  73.214  51.028   1.708
  348   HCF2  23Y 102          HCF2      EVG   2  70.762  52.596   2.712
  349   HOF2  23Y 102          HOF2      EVG   2  72.558  53.147   0.579
  350   HCF3  23Y 102          HCF3      EVG   2  73.648  53.670   2.510
  351   HOF3  23Y 102          HOF3      EVG   2  71.253  54.701   3.629
  352   HCF4  23Y 102          HCF4      EVG   2  72.067  53.083   5.086
  353   HOF4  23Y 102          HOF4      EVG   2  74.109  53.564   5.967
  354   HF61  23Y 102          HF61      EVG   2  74.091  49.920   5.732
  355   HF62  23Y 102          HF62      EVG   2  74.414  51.508   6.432
  356   HCF6  23Y 102          HOF6      EVG   2  72.582  50.363   7.351
  Start of MODEL    8
    1    H1   ASP   1           1H       ASP   1  52.256  74.646  22.654
    2    H2   ASP   1           2H       ASP   1  53.203  75.563  21.648
    3    H3   ASP   1           3H       ASP   1  53.818  74.197  22.394
    4    HA   ASP   1           HA       ASP   1  53.368  73.707  20.062
    5    HB2  ASP   1           1HB      ASP   1  51.627  72.277  22.191
    6    HB3  ASP   1           2HB      ASP   1  51.843  71.683  20.553
    7    H    ALA   2           H        ALA   2  52.173  74.303  18.347
    8    HA   ALA   2           HA       ALA   2  49.667  75.894  18.683
    9    HB1  ALA   2           1HB      ALA   2  49.896  76.244  16.222
   10    HB2  ALA   2           2HB      ALA   2  51.203  75.044  16.139
   11    HB3  ALA   2           3HB      ALA   2  51.428  76.558  17.057
   12    H    GLU   3           H        GLU   3  50.297  72.687  17.161
   13    HA   GLU   3           HA       GLU   3  47.302  72.283  16.765
   14    HB2  GLU   3           1HB      GLU   3  49.004  71.837  14.899
   15    HB3  GLU   3           2HB      GLU   3  49.626  70.492  15.848
   16    HG2  GLU   3           2HG      GLU   3  47.272  69.415  15.736
   17    HG3  GLU   3           1HG      GLU   3  46.735  70.775  14.744
   18    H    PHE   4           H        PHE   4  46.300  71.497  18.494
   19    HA   PHE   4           HA       PHE   4  47.724  69.821  20.596
   20    HB2  PHE   4           2HB      PHE   4  44.915  71.085  20.590
   21    HB3  PHE   4           1HB      PHE   4  45.503  70.054  21.858
   22    HD1  PHE   4           HD1      PHE   4  47.286  70.806  23.447
   23    HD2  PHE   4           HD2      PHE   4  45.872  73.417  20.333
   24    HE1  PHE   4           HE1      PHE   4  48.312  72.736  24.584
   25    HE2  PHE   4           HE2      PHE   4  46.905  75.331  21.479
   26    HZ   PHE   4           HZ       PHE   4  48.123  74.999  23.604
   27    H    ARG   5           H        ARG   5  47.618  67.675  20.571
   28    HA   ARG   5           HA       ARG   5  45.742  66.194  18.709
   29    HB2  ARG   5           2HB      ARG   5  48.067  65.203  20.467
   30    HB3  ARG   5           1HB      ARG   5  46.997  64.113  19.621
   31    HG2  ARG   5           2HG      ARG   5  47.626  65.202  17.379
   32    HG3  ARG   5           1HG      ARG   5  48.723  66.253  18.238
   33    HD2  ARG   5           1HD      ARG   5  50.146  64.556  17.422
   34    HD3  ARG   5           2HD      ARG   5  49.956  64.146  19.134
   35    HE   ARG   5           HE       ARG   5  47.930  62.756  17.428
   36   HH11  ARG   5          2HH1      ARG   5  51.261  62.519  18.436
   37   HH12  ARG   5          1HH1      ARG   5  51.312  60.728  18.070
   38   HH21  ARG   5          2HH2      ARG   5  48.043  60.725  17.022
   39   HH22  ARG   5          1HH2      ARG   5  49.574  59.785  17.307
   40    H    HIS   6           H        HIS   6  44.074  64.965  19.315
   41    HA   HIS   6           HA       HIS   6  43.097  65.074  22.213
   42    HB2  HIS   6           2HB      HIS   6  41.679  65.960  20.271
   43    HB3  HIS   6           1HB      HIS   6  41.575  64.330  19.637
   44    HD2  HIS   6           HD2      HIS   6  39.661  62.794  20.671
   45    HE1  HIS   6           HE1      HIS   6  38.318  65.392  23.641
   46    HE2  HIS   6           HE2      HIS   6  37.752  63.159  22.472
   47    H    ASP   7           H        ASP   7  43.976  63.385  23.292
   48    HA   ASP   7           HA       ASP   7  44.652  60.800  22.048
   49    HB2  ASP   7           1HB      ASP   7  44.777  61.752  24.975
   50    HB3  ASP   7           2HB      ASP   7  45.300  60.163  24.458
   51    H    SER   8           H        SER   8  42.055  61.564  24.406
   52    HA   SER   8           HA       SER   8  41.090  58.711  24.432
   53    HB2  SER   8           2HB      SER   8  40.945  60.150  26.476
   54    HB3  SER   8           1HB      SER   8  39.817  61.241  25.660
   55    HG   SER   8           HG       SER   8  38.409  59.402  25.393
   56    H    GLY   9           H        GLY   9  39.594  57.855  23.128
   57    HA2  GLY   9           1HA      GLY   9  37.209  59.219  22.053
   58    HA3  GLY   9           2HA      GLY   9  38.439  59.221  20.796
   59    H    TYR  10           H        TYR  10  39.247  57.155  20.092
   60    HA   TYR  10           HA       TYR  10  37.149  54.953  20.163
   61    HB2  TYR  10           1HB      TYR  10  38.044  54.070  18.189
   62    HB3  TYR  10           2HB      TYR  10  37.775  55.758  17.953
   63    HD1  TYR  10           HD1      TYR  10  39.798  57.365  17.842
   64    HD2  TYR  10           HD2      TYR  10  40.302  53.097  17.919
   65    HE1  TYR  10           HE1      TYR  10  42.124  57.617  17.095
   66    HE2  TYR  10           HE2      TYR  10  42.605  53.360  17.096
   67    HH   TYR  10           HH       TYR  10  43.999  56.572  16.528
   68    H    GLU  11           H        GLU  11  37.443  54.035  22.120
   69    HA   GLU  11           HA       GLU  11  40.071  52.485  22.610
   70    HB2  GLU  11           2HB      GLU  11  38.268  53.876  24.670
   71    HB3  GLU  11           1HB      GLU  11  39.410  52.627  25.105
   72    HG2  GLU  11           1HG      GLU  11  40.342  55.195  23.659
   73    HG3  GLU  11           2HG      GLU  11  40.214  55.065  25.410
   74    H    VAL  12           H        VAL  12  39.389  50.675  21.619
   75    HA   VAL  12           HA       VAL  12  37.264  49.044  23.040
   76    HB   VAL  12           HB       VAL  12  36.131  50.096  21.117
   77   HG11  VAL  12          1HG1      VAL  12  36.446  49.373  18.777
   78   HG12  VAL  12          2HG1      VAL  12  37.935  50.138  19.359
   79   HG13  VAL  12          3HG1      VAL  12  37.840  48.365  19.218
   80   HG21  VAL  12          1HG2      VAL  12  35.302  47.921  22.055
   81   HG22  VAL  12          2HG2      VAL  12  36.253  47.025  20.842
   82   HG23  VAL  12          3HG2      VAL  12  34.927  48.098  20.335
   83    H    HIS  13           H        HIS  13  38.148  47.224  23.693
   84    HA   HIS  13           HA       HIS  13  40.867  46.417  22.745
   85    HB2  HIS  13           1HB      HIS  13  40.147  46.498  25.178
   86    HB3  HIS  13           2HB      HIS  13  39.114  45.109  24.911
   87    HD2  HIS  13           HD2      HIS  13  42.872  46.137  25.104
   88    HE1  HIS  13           HE1      HIS  13  42.758  41.971  25.284
   89    HE2  HIS  13           HE2      HIS  13  44.373  43.968  25.515
   90    H    HIS  14           H        HIS  14  37.792  44.528  22.877
   91    HA   HIS  14           HA       HIS  14  38.919  42.634  20.759
   92    HB2  HIS  14           1HB      HIS  14  37.897  41.737  22.927
   93    HB3  HIS  14           2HB      HIS  14  36.337  42.355  22.421
   94    HD2  HIS  14           HD2      HIS  14  35.064  40.988  20.411
   95    HE1  HIS  14           HE1      HIS  14  37.767  37.812  20.185
   96    HE2  HIS  14           HE2      HIS  14  35.416  38.529  19.417
   97    H    GLN  15           H        GLN  15  38.543  43.277  18.733
   98    HA   GLN  15           HA       GLN  15  35.766  44.238  17.913
   99    HB2  GLN  15           1HB      GLN  15  36.594  45.938  16.459
  100    HB3  GLN  15           2HB      GLN  15  37.063  46.263  18.103
  101    HG2  GLN  15           2HG      GLN  15  38.991  45.170  15.932
  102    HG3  GLN  15           1HG      GLN  15  38.760  46.863  16.272
  103   HE21  GLN  15          1HE2      GLN  15  39.675  47.721  18.218
  104   HE22  GLN  15          2HE2      GLN  15  40.827  46.713  19.217
  105    H    LYS  16           H        LYS  16  34.920  42.997  16.401
  106    HA   LYS  16           HA       LYS  16  36.643  41.046  14.804
  107    HB2  LYS  16           1HB      LYS  16  33.601  41.274  15.097
  108    HB3  LYS  16           2HB      LYS  16  34.385  40.205  13.957
  109    HG2  LYS  16           2HG      LYS  16  35.577  38.982  15.807
  110    HG3  LYS  16           1HG      LYS  16  34.851  40.050  17.005
  111    HD2  LYS  16           2HD      LYS  16  32.544  39.317  16.293
  112    HD3  LYS  16           1HD      LYS  16  33.201  38.244  15.082
  113    HE2  LYS  16           1HE      LYS  16  33.793  37.968  18.125
  114    HE3  LYS  16           2HE      LYS  16  32.406  37.226  17.357
  115    HZ1  LYS  16           2HZ      LYS  16  33.931  35.960  15.859
  116    HZ2  LYS  16           3HZ      LYS  16  34.300  35.626  17.420
  117    HZ3  LYS  16           1HZ      LYS  16  35.255  36.636  16.539
  118    H    LEU  17           H        LEU  17  37.720  42.677  13.709
  119    HA   LEU  17           HA       LEU  17  36.711  43.204  11.014
  120    HB2  LEU  17           1HB      LEU  17  36.849  45.661  10.867
  121    HB3  LEU  17           2HB      LEU  17  35.536  45.070  11.837
  122    HG   LEU  17           HG       LEU  17  36.995  45.661  13.943
  123   HD11  LEU  17          1HD2      LEU  17  38.441  47.458  11.859
  124   HD12  LEU  17          2HD2      LEU  17  38.608  47.563  13.626
  125   HD13  LEU  17          3HD2      LEU  17  39.194  46.135  12.772
  126   HD21  LEU  17          2HD1      LEU  17  35.912  47.933  12.134
  127   HD22  LEU  17          3HD1      LEU  17  36.157  48.024  13.893
  128   HD23  LEU  17          1HD1      LEU  17  34.932  46.928  13.227
  129    H    VAL  18           H        VAL  18  38.416  43.500   9.586
  130    HA   VAL  18           HA       VAL  18  41.106  42.843  10.719
  131    HB   VAL  18           HB       VAL  18  40.187  41.623   8.817
  132   HG11  VAL  18          1HG2      VAL  18  39.247  43.486   7.370
  133   HG12  VAL  18          2HG2      VAL  18  40.904  44.002   6.987
  134   HG13  VAL  18          3HG2      VAL  18  40.335  42.394   6.491
  135   HG21  VAL  18          1HG1      VAL  18  42.940  42.880   8.254
  136   HG22  VAL  18          2HG1      VAL  18  42.330  41.322   7.644
  137   HG23  VAL  18          3HG1      VAL  18  42.615  41.538   9.378
  138    H    PHE  19           H        PHE  19  41.464  44.658  11.910
  139    HA   PHE  19           HA       PHE  19  41.711  47.343  10.912
  140    HB2  PHE  19           2HB      PHE  19  42.616  47.976  13.025
  141    HB3  PHE  19           1HB      PHE  19  41.307  46.875  13.252
  142    HD1  PHE  19           HD2      PHE  19  41.765  44.481  14.091
  143    HD2  PHE  19           HD1      PHE  19  44.883  47.435  13.836
  144    HE1  PHE  19           HE2      PHE  19  43.192  43.116  15.557
  145    HE2  PHE  19           HE1      PHE  19  46.293  46.062  15.312
  146    HZ   PHE  19           HZ       PHE  19  45.456  43.899  16.169
  147    H    PHE  20           H        PHE  20  42.966  47.832   9.240
  148    HA   PHE  20           HA       PHE  20  45.898  46.967   9.164
  149    HB2  PHE  20           2HB      PHE  20  44.317  46.666   7.131
  150    HB3  PHE  20           1HB      PHE  20  44.320  48.399   6.947
  151    HD1  PHE  20           HD1      PHE  20  46.468  49.574   6.223
  152    HD2  PHE  20           HD2      PHE  20  46.338  45.296   6.667
  153    HE1  PHE  20           HE1      PHE  20  48.557  49.367   4.936
  154    HE2  PHE  20           HE2      PHE  20  48.426  45.107   5.377
  155    HZ   PHE  20           HZ       PHE  20  49.538  47.138   4.507
  156    H    ALA  21           H        ALA  21  47.222  48.329  10.189
  157    HA   ALA  21           HA       ALA  21  46.672  51.184  10.772
  158    HB1  ALA  21           1HB      ALA  21  49.020  51.162  11.650
  159    HB2  ALA  21           2HB      ALA  21  49.310  49.569  10.922
  160    HB3  ALA  21           3HB      ALA  21  48.117  49.750  12.238
  161    H    GLU  22           H        GLU  22  46.928  52.882   9.423
  162    HA   GLU  22           HA       GLU  22  47.868  52.509   6.681
  163    HB2  GLU  22           1HB      GLU  22  47.133  54.691   6.183
  164    HB3  GLU  22           2HB      GLU  22  45.937  53.824   7.116
  165    HG2  GLU  22           1HG      GLU  22  46.564  55.223   9.181
  166    HG3  GLU  22           2HG      GLU  22  47.749  56.090   8.209
  167    H    ASP  23           H        ASP  23  49.938  51.760   7.305
  168    HA   ASP  23           HA       ASP  23  52.054  53.841   6.599
  169    HB2  ASP  23           1HB      ASP  23  52.308  51.925   9.021
  170    HB3  ASP  23           2HB      ASP  23  53.674  52.720   8.256
  171    H    VAL  24           H        VAL  24  52.325  52.983   4.615
  172    HA   VAL  24           HA       VAL  24  53.346  50.151   4.354
  173    HB   VAL  24           HB       VAL  24  50.892  50.005   4.036
  174   HG11  VAL  24          1HG2      VAL  24  49.736  50.729   1.981
  175   HG12  VAL  24          2HG2      VAL  24  50.389  52.158   2.804
  176   HG13  VAL  24          3HG2      VAL  24  51.207  51.518   1.360
  177   HG21  VAL  24          1HG1      VAL  24  50.937  48.490   2.099
  178   HG22  VAL  24          2HG1      VAL  24  52.455  49.204   1.503
  179   HG23  VAL  24          3HG1      VAL  24  52.427  48.294   3.036
  180    H    GLY  25           H        GLY  25  54.964  49.963   2.974
  181    HA2  GLY  25           1HA      GLY  25  56.081  52.487   1.666
  182    HA3  GLY  25           2HA      GLY  25  56.960  51.003   1.941
  183    H    SER  26           H        SER  26  57.370  49.913   0.135
  184    HA   SER  26           HA       SER  26  55.443  49.968  -2.253
  185    HB2  SER  26           2HB      SER  26  57.331  51.578  -2.651
  186    HB3  SER  26           1HB      SER  26  58.512  50.278  -2.414
  187    HG   SER  26           HG       SER  26  57.963  50.607  -4.631
  188    H    ASN  27           H        ASN  27  55.117  48.011  -3.189
  189    HA   ASN  27           HA       ASN  27  56.215  45.553  -1.889
  190    HB2  ASN  27           1HB      ASN  27  54.677  44.268  -3.158
  191    HB3  ASN  27           2HB      ASN  27  53.874  45.628  -2.436
  192   HD21  ASN  27          2HD2      ASN  27  54.736  44.185  -5.475
  193   HD22  ASN  27          1HD2      ASN  27  53.645  45.294  -6.447
  194    H    LYS  28           H        LYS  28  58.386  45.845  -2.267
  195    HA   LYS  28           HA       LYS  28  59.446  45.453  -5.083
  196    HB2  LYS  28           2HB      LYS  28  61.596  46.160  -4.313
  197    HB3  LYS  28           1HB      LYS  28  60.356  47.316  -3.890
  198    HG2  LYS  28           1HG      LYS  28  60.436  46.439  -1.461
  199    HG3  LYS  28           2HG      LYS  28  61.757  45.370  -1.934
  200    HD2  LYS  28           2HD      LYS  28  63.113  47.376  -2.696
  201    HD3  LYS  28           1HD      LYS  28  61.830  48.468  -2.232
  202    HE2  LYS  28           2HE      LYS  28  63.287  46.580  -0.230
  203    HE3  LYS  28           1HE      LYS  28  63.871  48.188  -0.622
  204    HZ1  LYS  28           2HZ      LYS  28  62.417  48.273   1.385
  205    HZ2  LYS  28           3HZ      LYS  28  61.718  49.142   0.180
  206    HZ3  LYS  28           1HZ      LYS  28  61.140  47.656   0.550
  207    H    GLY  29           H        GLY  29  60.677  43.813  -5.758
  208    HA2  GLY  29           1HA      GLY  29  61.072  41.332  -3.955
  209    HA3  GLY  29           2HA      GLY  29  60.312  41.157  -5.524
  210    H    ALA  30           H        ALA  30  61.607  41.594  -7.408
  211    HA   ALA  30           HA       ALA  30  64.538  40.934  -7.071
  212    HB1  ALA  30           1HB      ALA  30  64.464  40.607  -9.551
  213    HB2  ALA  30           2HB      ALA  30  62.798  41.219  -9.613
  214    HB3  ALA  30           3HB      ALA  30  63.164  39.696  -8.758
  215    H    ILE  31           H        ILE  31  66.141  42.367  -7.262
  216    HA   ILE  31           HA       ILE  31  65.822  44.918  -8.852
  217    HB   ILE  31           HB       ILE  31  66.987  46.333  -7.201
  218   HG12  ILE  31          1HG1      ILE  31  66.099  44.569  -4.858
  219   HG13  ILE  31          2HG1      ILE  31  67.640  44.240  -5.604
  220   HG21  ILE  31          2HG2      ILE  31  64.193  45.416  -6.283
  221   HG22  ILE  31          3HG2      ILE  31  64.947  46.990  -5.933
  222   HG23  ILE  31          1HG2      ILE  31  64.532  46.552  -7.603
  223   HD11  ILE  31          1HD1      ILE  31  68.433  46.599  -5.194
  224   HD12  ILE  31          2HD1      ILE  31  66.888  46.976  -4.390
  225   HD13  ILE  31          3HD1      ILE  31  67.987  45.761  -3.693
  226    H    ILE  32           H        ILE  32  67.402  44.938 -10.289
  227    HA   ILE  32           HA       ILE  32  69.918  43.316  -9.825
  228    HB   ILE  32           HB       ILE  32  70.560  43.768 -12.174
  229   HG12  ILE  32          2HG1      ILE  32  68.655  44.300 -13.838
  230   HG13  ILE  32          1HG1      ILE  32  67.788  45.061 -12.524
  231   HG21  ILE  32          3HG2      ILE  32  69.078  42.078 -13.152
  232   HG22  ILE  32          1HG2      ILE  32  69.438  41.650 -11.474
  233   HG23  ILE  32          2HG2      ILE  32  67.853  42.343 -11.888
  234   HD11  ILE  32          1HD1      ILE  32  69.064  46.688 -13.961
  235   HD12  ILE  32          2HD1      ILE  32  70.601  45.890 -13.570
  236   HD13  ILE  32          3HD1      ILE  32  69.694  46.764 -12.311
  237    H    GLY  33           H        GLY  33  71.977  44.093  -9.852
  238    HA2  GLY  33           1HA      GLY  33  72.373  46.792  -8.639
  239    HA3  GLY  33           2HA      GLY  33  73.639  45.634  -8.956
  240    H    LEU  34           H        LEU  34  74.258  45.437 -11.332
  241    HA   LEU  34           HA       LEU  34  74.779  48.222 -12.414
  242    HB2  LEU  34           1HB      LEU  34  76.628  46.458 -12.082
  243    HB3  LEU  34           2HB      LEU  34  75.875  45.512 -13.347
  244    HG   LEU  34           HG       LEU  34  76.255  47.581 -14.927
  245   HD11  LEU  34          2HD1      LEU  34  78.208  48.401 -12.656
  246   HD12  LEU  34          3HD1      LEU  34  76.761  49.319 -13.135
  247   HD13  LEU  34          1HD1      LEU  34  78.107  49.136 -14.271
  248   HD21  LEU  34          1HD2      LEU  34  78.707  46.087 -13.772
  249   HD22  LEU  34          2HD2      LEU  34  78.627  46.902 -15.353
  250   HD23  LEU  34          3HD2      LEU  34  77.616  45.480 -15.041
  251    H    MET  35           H        MET  35  73.694  49.033 -14.095
  252    HA   MET  35           HA       MET  35  71.623  47.388 -15.590
  253    HB2  MET  35           1HB      MET  35  71.131  49.660 -14.494
  254    HB3  MET  35           2HB      MET  35  72.170  50.414 -15.691
  255    HG2  MET  35           1HG      MET  35  69.847  50.661 -16.411
  256    HG3  MET  35           2HG      MET  35  70.603  49.530 -17.532
  257    HE1  MET  35           2HE      MET  35  67.236  48.618 -14.474
  258    HE2  MET  35           1HE      MET  35  67.621  50.197 -15.217
  259    HE3  MET  35           3HE      MET  35  68.687  49.516 -13.947
  260    H    VAL  36           H        VAL  36  72.333  46.354 -17.361
  261    HA   VAL  36           HA       VAL  36  74.696  47.400 -18.960
  262    HB   VAL  36           HB       VAL  36  74.809  45.107 -18.124
  263   HG11  VAL  36          1HG1      VAL  36  72.426  44.289 -18.432
  264   HG12  VAL  36          2HG1      VAL  36  72.672  44.271 -20.192
  265   HG13  VAL  36          3HG1      VAL  36  73.632  43.201 -19.143
  266   HG21  VAL  36          1HG2      VAL  36  74.903  45.224 -21.203
  267   HG22  VAL  36          2HG2      VAL  36  75.784  44.100 -20.146
  268   HG23  VAL  36          3HG2      VAL  36  76.171  45.825 -20.106
  269    H    GLY  37           H        GLY  37  74.243  48.743 -20.524
  270    HA2  GLY  37           1HA      GLY  37  71.506  48.942 -21.814
  271    HA3  GLY  37           2HA      GLY  37  72.824  50.060 -22.052
  272    H    GLY  38           H        GLY  38  74.558  49.398 -23.482
  273    HA2  GLY  38           1HA      GLY  38  74.262  47.018 -25.294
  274    HA3  GLY  38           2HA      GLY  38  73.803  48.511 -26.105
  275    H    VAL  39           H        VAL  39  76.423  46.804 -24.554
  276    HA   VAL  39           HA       VAL  39  78.461  48.374 -26.194
  277    HB   VAL  39           HB       VAL  39  78.734  47.982 -23.159
  278   HG11  VAL  39          1HG2      VAL  39  80.990  49.031 -23.308
  279   HG12  VAL  39          2HG2      VAL  39  80.975  47.539 -24.251
  280   HG13  VAL  39          3HG2      VAL  39  80.886  49.108 -25.084
  281   HG21  VAL  39          1HG1      VAL  39  77.438  50.067 -23.808
  282   HG22  VAL  39          2HG1      VAL  39  78.983  50.472 -23.052
  283   HG23  VAL  39          3HG1      VAL  39  78.792  50.601 -24.819
  284    H    VAL  40           H        VAL  40  78.905  45.732 -23.755
  285    HA   VAL  40           HA       VAL  40  79.009  43.682 -25.931
  286    HB   VAL  40           HB       VAL  40  81.454  44.108 -24.104
  287   HG11  VAL  40          1HG2      VAL  40  82.511  42.154 -25.246
  288   HG12  VAL  40          2HG2      VAL  40  81.052  41.896 -26.238
  289   HG13  VAL  40          3HG2      VAL  40  80.995  41.657 -24.478
  290   HG21  VAL  40          1HG1      VAL  40  82.824  44.444 -26.184
  291   HG22  VAL  40          2HG1      VAL  40  81.365  44.284 -27.201
  292   HG23  VAL  40          3HG1      VAL  40  81.548  45.664 -26.104
  293   HCG9  23Y 101          HCG9      EVG   1  38.920  49.826   9.340
  294   HCG3  23Y 101          HCG3      EVG   1  40.222  51.692  13.213
  295   HCG7  23Y 101          HCG7      EVG   1  39.573  53.566   7.377
  296   HCG4  23Y 101          HCG4      EVG   1  38.150  53.752  12.303
  297   HCB1  23Y 101          HCB1      EVG   1  36.487  51.270  12.932
  298   HCB2  23Y 101          HCB2      EVG   1  35.016  51.043  14.889
  299   HOB3  23Y 101          HOB3      EVG   1  34.859  51.170  17.106
  300   HCB4  23Y 101          HCB4      EVG   1  38.301  51.917  17.486
  301   HCB5  23Y 101          HCB5      EVG   1  39.785  52.193  15.535
  302   HCC1  23Y 101          HCC1      EVG   1  41.967  53.329  11.965
  303   HOC2  23Y 101          HOC2      EVG   1  44.308  55.699  13.152
  304   HCC3  23Y 101          HCC3      EVG   1  42.727  56.959  14.080
  305   HOC4  23Y 101          HOC4      EVG   1  40.948  57.971  14.958
  306   HCC5  23Y 101          HCC5      EVG   1  38.717  55.548  13.722
  307   HCD1  23Y 101          HCD1      EVG   1  39.496  55.680  10.592
  308   HCD2  23Y 101          HCD2      EVG   1  39.841  55.726   7.591
  309   HCE1  23Y 101          HCE1      EVG   1  40.017  60.299  10.846
  310   HOE2  23Y 101          HOE2      EVG   1  40.474  62.123   7.839
  311   HCE3  23Y 101          HCE3      EVG   1  40.365  60.299   6.579
  312   HCE4  23Y 101          HCE4      EVG   1  40.119  57.867   6.540
  313   HCE6  23Y 101          HCE6      EVG   1  39.772  57.860  10.843
  314   HCF5  23Y 101          HCF5      EVG   1  38.820  53.221   3.671
  315   HCF1  23Y 101          HCF1      EVG   1  40.302  51.857   5.593
  316   HCF2  23Y 101          HCF2      EVG   1  39.258  49.209   5.340
  317   HOF2  23Y 101          HOF2      EVG   1  40.403  50.944   3.430
  318   HCF3  23Y 101          HCF3      EVG   1  37.997  49.342   3.111
  319   HOF3  23Y 101          HOF3      EVG   1  37.092  48.914   5.182
  320   HCF4  23Y 101          HCF4      EVG   1  36.450  51.468   3.088
  321   HOF4  23Y 101          HOF4      EVG   1  39.091  51.556   2.074
  322   HF61  23Y 101          HF61      EVG   1  35.908  53.317   4.667
  323   HF62  23Y 101          HF62      EVG   1  37.104  54.589   4.893
  324   HCF6  23Y 101          HOF6      EVG   1  37.263  54.716   2.570
  325   HCG9  23Y 102          HCG9      EVG   2  67.068  57.671   1.903
  326   HCG3  23Y 102          HCG3      EVG   2  69.105  56.590  -1.963
  327   HCG7  23Y 102          HCG7      EVG   2  66.772  53.511   2.832
  328   HCG4  23Y 102          HCG4      EVG   2  66.652  54.771  -2.145
  329   HCB1  23Y 102          HCB1      EVG   2  69.225  56.587  -4.408
  330   HCB2  23Y 102          HCB2      EVG   2  68.360  57.517  -6.519
  331   HOB3  23Y 102          HOB3      EVG   2  65.134  58.977  -6.718
  332   HCB4  23Y 102          HCB4      EVG   2  64.704  58.595  -4.567
  333   HCB5  23Y 102          HCB5      EVG   2  65.549  57.674  -2.450
  334   HCC1  23Y 102          HCC1      EVG   2  70.220  54.298  -0.803
  335   HOC2  23Y 102          HOC2      EVG   2  72.556  52.027  -2.185
  336   HCC3  23Y 102          HCC3      EVG   2  71.210  51.492  -3.875
  337   HOC4  23Y 102          HOC4      EVG   2  68.102  51.996  -5.487
  338   HCC5  23Y 102          HCC5      EVG   2  67.421  53.455  -3.962
  339   HCD1  23Y 102          HCD1      EVG   2  67.260  52.295  -0.789
  340   HCD2  23Y 102          HCD2      EVG   2  66.769  51.476   2.082
  341   HCE1  23Y 102          HCE1      EVG   2  67.177  47.859  -2.184
  342   HOE2  23Y 102          HOE2      EVG   2  66.611  45.311   0.211
  343   HCE3  23Y 102          HCE3      EVG   2  66.375  46.784   1.882
  344   HCE4  23Y 102          HCE4      EVG   2  66.472  49.139   2.540
  345   HCE6  23Y 102          HCE6      EVG   2  67.287  50.222  -1.559
  346   HCF5  23Y 102          HCF5      EVG   2  67.643  58.704   6.563
  347   HCF1  23Y 102          HCF1      EVG   2  67.203  57.803   4.161
  348   HCF2  23Y 102          HCF2      EVG   2  64.524  56.572   5.079
  349   HOF2  23Y 102          HOF2      EVG   2  63.754  58.251   3.647
  350   HCF3  23Y 102          HCF3      EVG   2  65.387  59.524   5.345
  351   HOF3  23Y 102          HOF3      EVG   2  63.189  58.105   6.434
  352   HCF4  23Y 102          HCF4      EVG   2  65.013  57.469   7.616
  353   HOF4  23Y 102          HOF4      EVG   2  66.151  59.257   8.680
  354   HF61  23Y 102          HF61      EVG   2  68.721  57.000   8.051
  355   HF62  23Y 102          HF62      EVG   2  67.142  56.507   8.671
  356   HCF6  23Y 102          HOF6      EVG   2  68.272  58.109   9.963
  Start of MODEL    9
    1    H1   ASP   1           1H       ASP   1  34.060  33.353 -11.412
    2    H2   ASP   1           2H       ASP   1  33.563  34.677 -12.289
    3    H3   ASP   1           3H       ASP   1  34.346  34.879 -10.846
    4    HA   ASP   1           HA       ASP   1  35.550  33.741 -13.303
    5    HB2  ASP   1           1HB      ASP   1  34.932  36.258 -13.285
    6    HB3  ASP   1           2HB      ASP   1  36.054  36.477 -11.939
    7    H    ALA   2           H        ALA   2  37.196  32.376 -12.811
    8    HA   ALA   2           HA       ALA   2  38.114  31.999  -9.988
    9    HB1  ALA   2           1HB      ALA   2  39.295  30.012 -10.930
   10    HB2  ALA   2           2HB      ALA   2  38.889  30.518 -12.584
   11    HB3  ALA   2           3HB      ALA   2  37.598  30.053 -11.441
   12    H    GLU   3           H        GLU   3  39.812  33.165 -12.949
   13    HA   GLU   3           HA       GLU   3  42.376  33.542 -11.383
   14    HB2  GLU   3           1HB      GLU   3  41.658  33.893 -14.352
   15    HB3  GLU   3           2HB      GLU   3  43.125  34.589 -13.704
   16    HG2  GLU   3           1HG      GLU   3  43.972  32.366 -12.937
   17    HG3  GLU   3           2HG      GLU   3  42.497  31.575 -13.501
   18    H    PHE   4           H        PHE   4  43.272  35.440 -10.867
   19    HA   PHE   4           HA       PHE   4  41.444  37.781 -10.444
   20    HB2  PHE   4           1HB      PHE   4  44.397  37.375  -9.642
   21    HB3  PHE   4           2HB      PHE   4  43.439  38.752  -9.187
   22    HD1  PHE   4           HD1      PHE   4  41.613  38.567  -7.474
   23    HD2  PHE   4           HD2      PHE   4  43.973  35.138  -8.564
   24    HE1  PHE   4           HE1      PHE   4  40.816  37.371  -5.477
   25    HE2  PHE   4           HE2      PHE   4  43.160  33.952  -6.570
   26    HZ   PHE   4           HZ       PHE   4  41.585  35.063  -5.019
   27    H    ARG   5           H        ARG   5  41.357  39.576 -11.656
   28    HA   ARG   5           HA       ARG   5  43.134  39.903 -14.023
   29    HB2  ARG   5           1HB      ARG   5  41.681  41.544 -14.874
   30    HB3  ARG   5           2HB      ARG   5  40.767  40.213 -14.249
   31    HG2  ARG   5           2HG      ARG   5  39.384  41.848 -13.466
   32    HG3  ARG   5           1HG      ARG   5  40.424  41.785 -12.074
   33    HD2  ARG   5           1HD      ARG   5  40.266  44.124 -12.457
   34    HD3  ARG   5           2HD      ARG   5  41.786  43.763 -13.204
   35    HE   ARG   5           HE       ARG   5  40.878  44.041 -15.439
   36   HH11  ARG   5          2HH1      ARG   5  38.391  44.562 -13.049
   37   HH12  ARG   5          1HH1      ARG   5  37.342  45.456 -14.250
   38   HH21  ARG   5          2HH2      ARG   5  39.657  45.051 -16.756
   39   HH22  ARG   5          1HH2      ARG   5  38.038  45.701 -16.239
   40    H    HIS   6           H        HIS   6  42.607  42.163 -11.290
   41    HA   HIS   6           HA       HIS   6  45.508  42.952 -11.398
   42    HB2  HIS   6           1HB      HIS   6  44.360  44.457 -13.112
   43    HB3  HIS   6           2HB      HIS   6  43.331  45.102 -11.847
   44    HD2  HIS   6           HD2      HIS   6  47.011  45.152 -13.117
   45    HE1  HIS   6           HE1      HIS   6  46.649  48.242 -10.334
   46    HE2  HIS   6           HE2      HIS   6  48.277  47.265 -12.080
   47    H    ASP   7           H        ASP   7  45.940  42.498  -9.349
   48    HA   ASP   7           HA       ASP   7  44.297  43.732  -7.092
   49    HB2  ASP   7           1HB      ASP   7  43.647  41.274  -7.461
   50    HB3  ASP   7           2HB      ASP   7  45.296  40.807  -7.058
   51    H    SER   8           H        SER   8  45.676  45.083  -6.198
   52    HA   SER   8           HA       SER   8  48.581  44.279  -5.662
   53    HB2  SER   8           1HB      SER   8  49.446  46.462  -6.344
   54    HB3  SER   8           2HB      SER   8  48.631  45.692  -7.702
   55    HG   SER   8           HG       SER   8  47.295  47.523  -5.970
   56    H    GLY   9           H        GLY   9  48.893  44.359  -3.568
   57    HA2  GLY   9           1HA      GLY   9  49.120  45.429  -1.363
   58    HA3  GLY   9           2HA      GLY   9  48.075  46.740  -1.870
   59    H    TYR  10           H        TYR  10  46.322  46.721  -0.631
   60    HA   TYR  10           HA       TYR  10  44.760  44.160  -0.075
   61    HB2  TYR  10           1HB      TYR  10  45.672  46.143   2.099
   62    HB3  TYR  10           2HB      TYR  10  44.355  45.027   2.344
   63    HD1  TYR  10           HD2      TYR  10  44.756  42.556   2.531
   64    HD2  TYR  10           HD1      TYR  10  48.036  45.300   2.075
   65    HE1  TYR  10           HE2      TYR  10  46.337  40.805   3.250
   66    HE2  TYR  10           HE1      TYR  10  49.600  43.527   2.765
   67    HH   TYR  10           HH       TYR  10  49.825  41.437   3.453
   68    H    GLU  11           H        GLU  11  42.721  44.550  -0.712
   69    HA   GLU  11           HA       GLU  11  41.742  47.363  -1.099
   70    HB2  GLU  11           2HB      GLU  11  39.940  46.537  -2.339
   71    HB3  GLU  11           1HB      GLU  11  41.439  45.841  -2.902
   72    HG2  GLU  11           1HG      GLU  11  40.817  43.611  -1.824
   73    HG3  GLU  11           2HG      GLU  11  39.307  44.322  -1.245
   74    H    VAL  12           H        VAL  12  41.769  48.043   1.033
   75    HA   VAL  12           HA       VAL  12  39.718  46.951   2.966
   76    HB   VAL  12           HB       VAL  12  40.387  48.681   4.561
   77   HG11  VAL  12          1HG1      VAL  12  41.421  46.396   4.601
   78   HG12  VAL  12          2HG1      VAL  12  42.783  46.991   3.629
   79   HG13  VAL  12          3HG1      VAL  12  42.497  47.648   5.259
   80   HG21  VAL  12          1HG2      VAL  12  41.357  50.497   3.083
   81   HG22  VAL  12          2HG2      VAL  12  42.442  50.016   4.395
   82   HG23  VAL  12          3HG2      VAL  12  42.753  49.452   2.737
   83    H    HIS  13           H        HIS  13  37.661  47.402   2.578
   84    HA   HIS  13           HA       HIS  13  36.805  49.851   1.158
   85    HB2  HIS  13           1HB      HIS  13  34.605  48.959   1.092
   86    HB3  HIS  13           2HB      HIS  13  35.752  47.720   0.680
   87    HD2  HIS  13           HD2      HIS  13  33.129  48.645   3.373
   88    HE1  HIS  13           HE1      HIS  13  34.278  44.715   4.163
   89    HE2  HIS  13           HE2      HIS  13  32.578  46.515   4.887
   90    H    HIS  14           H        HIS  14  36.103  48.838   4.522
   91    HA   HIS  14           HA       HIS  14  35.671  51.796   5.218
   92    HB2  HIS  14           2HB      HIS  14  33.481  50.491   4.952
   93    HB3  HIS  14           1HB      HIS  14  33.947  49.472   6.298
   94    HD2  HIS  14           HD2      HIS  14  33.712  50.572   8.790
   95    HE1  HIS  14           HE1      HIS  14  32.050  54.215   7.606
   96    HE2  HIS  14           HE2      HIS  14  32.486  52.770   9.697
   97    H    GLN  15           H        GLN  15  37.012  52.418   6.737
   98    HA   GLN  15           HA       GLN  15  37.925  50.562   8.985
   99    HB2  GLN  15           2HB      GLN  15  39.810  52.285   7.236
  100    HB3  GLN  15           1HB      GLN  15  40.278  51.644   8.790
  101    HG2  GLN  15           2HG      GLN  15  39.493  49.865   6.389
  102    HG3  GLN  15           1HG      GLN  15  41.125  50.321   6.821
  103   HE21  GLN  15          1HE2      GLN  15  38.460  48.263   7.746
  104   HE22  GLN  15          2HE2      GLN  15  39.504  47.293   8.927
  105    H    LYS  16           H        LYS  16  37.796  51.572  10.921
  106    HA   LYS  16           HA       LYS  16  37.195  54.570  11.071
  107    HB2  LYS  16           1HB      LYS  16  37.102  52.400  13.218
  108    HB3  LYS  16           2HB      LYS  16  36.893  54.090  13.573
  109    HG2  LYS  16           2HG      LYS  16  35.071  52.599  11.579
  110    HG3  LYS  16           1HG      LYS  16  34.755  52.589  13.290
  111    HD2  LYS  16           1HD      LYS  16  34.951  55.199  11.652
  112    HD3  LYS  16           2HD      LYS  16  33.468  54.305  11.772
  113    HE2  LYS  16           1HE      LYS  16  34.946  55.425  14.264
  114    HE3  LYS  16           2HE      LYS  16  33.757  56.340  13.352
  115    HZ1  LYS  16           2HZ      LYS  16  32.068  54.567  13.832
  116    HZ2  LYS  16           3HZ      LYS  16  33.156  53.705  14.700
  117    HZ3  LYS  16           1HZ      LYS  16  32.658  55.176  15.235
  118    H    LEU  17           H        LEU  17  39.287  54.790  10.103
  119    HA   LEU  17           HA       LEU  17  41.211  56.100  11.775
  120    HB2  LEU  17           1HB      LEU  17  43.291  54.793  11.549
  121    HB3  LEU  17           2HB      LEU  17  42.116  54.097  12.616
  122    HG   LEU  17           HG       LEU  17  41.513  52.436  10.680
  123   HD11  LEU  17          1HD2      LEU  17  42.786  53.556   8.772
  124   HD12  LEU  17          2HD2      LEU  17  44.311  53.322   9.651
  125   HD13  LEU  17          3HD2      LEU  17  43.376  51.923   9.074
  126   HD21  LEU  17          2HD1      LEU  17  42.763  51.799  12.773
  127   HD22  LEU  17          3HD1      LEU  17  43.367  50.905  11.368
  128   HD23  LEU  17          1HD1      LEU  17  44.303  52.272  12.018
  129    H    VAL  18           H        VAL  18  42.543  57.396  10.439
  130    HA   VAL  18           HA       VAL  18  41.542  57.630   7.646
  131    HB   VAL  18           HB       VAL  18  43.850  59.289   8.749
  132   HG11  VAL  18          1HG1      VAL  18  43.482  59.394   6.231
  133   HG12  VAL  18          2HG1      VAL  18  41.790  59.868   6.494
  134   HG13  VAL  18          3HG1      VAL  18  43.112  60.944   7.003
  135   HG21  VAL  18          1HG2      VAL  18  40.846  60.042   8.902
  136   HG22  VAL  18          2HG2      VAL  18  41.879  59.648  10.294
  137   HG23  VAL  18          3HG2      VAL  18  42.225  61.086   9.328
  138    H    PHE  19           H        PHE  19  42.149  56.036   6.377
  139    HA   PHE  19           HA       PHE  19  44.550  54.527   6.428
  140    HB2  PHE  19           1HB      PHE  19  43.800  53.445   4.401
  141    HB3  PHE  19           2HB      PHE  19  42.463  53.702   5.468
  142    HD1  PHE  19           HD2      PHE  19  40.631  55.360   4.847
  143    HD2  PHE  19           HD1      PHE  19  43.915  54.581   2.177
  144    HE1  PHE  19           HE2      PHE  19  39.385  56.400   2.998
  145    HE2  PHE  19           HE1      PHE  19  42.646  55.611   0.334
  146    HZ   PHE  19           HZ       PHE  19  40.385  56.524   0.741
  147    H    PHE  20           H        PHE  20  46.492  54.511   5.450
  148    HA   PHE  20           HA       PHE  20  47.371  56.982   3.874
  149    HB2  PHE  20           1HB      PHE  20  49.116  54.797   5.161
  150    HB3  PHE  20           2HB      PHE  20  49.705  56.141   4.229
  151    HD1  PHE  20           HD1      PHE  20  49.697  58.469   5.113
  152    HD2  PHE  20           HD2      PHE  20  48.246  55.192   7.489
  153    HE1  PHE  20           HE1      PHE  20  49.803  59.875   7.134
  154    HE2  PHE  20           HE2      PHE  20  48.360  56.605   9.499
  155    HZ   PHE  20           HZ       PHE  20  49.137  58.947   9.329
  156    H    ALA  21           H        ALA  21  47.163  56.759   1.743
  157    HA   ALA  21           HA       ALA  21  47.332  54.080   0.336
  158    HB1  ALA  21           1HB      ALA  21  46.785  56.911  -0.751
  159    HB2  ALA  21           2HB      ALA  21  46.638  55.387  -1.653
  160    HB3  ALA  21           3HB      ALA  21  45.558  55.702  -0.279
  161    H    GLU  22           H        GLU  22  49.509  53.729   1.099
  162    HA   GLU  22           HA       GLU  22  51.534  54.557  -0.976
  163    HB2  GLU  22           2HB      GLU  22  53.300  55.162   0.569
  164    HB3  GLU  22           1HB      GLU  22  51.940  56.252   0.698
  165    HG2  GLU  22           1HG      GLU  22  51.265  55.123   2.895
  166    HG3  GLU  22           2HG      GLU  22  52.650  54.050   2.754
  167    H    ASP  23           H        ASP  23  53.098  53.051  -1.417
  168    HA   ASP  23           HA       ASP  23  52.523  50.264  -0.516
  169    HB2  ASP  23           1HB      ASP  23  53.991  49.499  -2.217
  170    HB3  ASP  23           2HB      ASP  23  52.828  50.628  -2.855
  171    H    VAL  24           H        VAL  24  53.087  49.982   1.524
  172    HA   VAL  24           HA       VAL  24  55.971  50.509   2.458
  173    HB   VAL  24           HB       VAL  24  53.621  49.652   4.234
  174   HG11  VAL  24          1HG2      VAL  24  55.059  50.423   6.119
  175   HG12  VAL  24          2HG2      VAL  24  56.336  50.945   4.995
  176   HG13  VAL  24          3HG2      VAL  24  55.947  49.218   5.176
  177   HG21  VAL  24          1HG1      VAL  24  53.412  51.993   5.051
  178   HG22  VAL  24          2HG1      VAL  24  54.613  52.558   3.857
  179   HG23  VAL  24          3HG1      VAL  24  53.051  51.903   3.323
  180    H    GLY  25           H        GLY  25  57.045  48.779   1.530
  181    HA2  GLY  25           1HA      GLY  25  57.843  46.438   1.539
  182    HA3  GLY  25           2HA      GLY  25  56.482  45.948   2.516
  183    H    SER  26           H        SER  26  54.407  46.954   0.709
  184    HA   SER  26           HA       SER  26  54.347  44.611  -1.191
  185    HB2  SER  26           2HB      SER  26  51.988  45.209  -1.554
  186    HB3  SER  26           1HB      SER  26  52.381  44.998   0.140
  187    HG   SER  26           HG       SER  26  51.097  46.919  -0.397
  188    H    ASN  27           H        ASN  27  56.219  45.614  -2.181
  189    HA   ASN  27           HA       ASN  27  55.624  46.326  -4.962
  190    HB2  ASN  27           1HB      ASN  27  55.435  48.668  -3.766
  191    HB3  ASN  27           2HB      ASN  27  57.153  48.612  -3.542
  192   HD21  ASN  27          2HD2      ASN  27  54.588  49.020  -5.833
  193   HD22  ASN  27          1HD2      ASN  27  55.695  49.547  -7.205
  194    H    LYS  28           H        LYS  28  58.194  46.342  -2.473
  195    HA   LYS  28           HA       LYS  28  60.420  45.792  -4.294
  196    HB2  LYS  28           1HB      LYS  28  61.789  45.457  -2.319
  197    HB3  LYS  28           2HB      LYS  28  60.748  46.838  -2.111
  198    HG2  LYS  28           1HG      LYS  28  59.168  45.251  -0.728
  199    HG3  LYS  28           2HG      LYS  28  60.452  44.080  -0.726
  200    HD2  LYS  28           1HD      LYS  28  60.760  46.994   0.291
  201    HD3  LYS  28           2HD      LYS  28  60.157  45.736   1.321
  202    HE2  LYS  28           2HE      LYS  28  62.971  45.603   0.015
  203    HE3  LYS  28           1HE      LYS  28  62.657  46.392   1.555
  204    HZ1  LYS  28           2HZ      LYS  28  63.314  44.039   1.946
  205    HZ2  LYS  28           3HZ      LYS  28  61.764  44.238   2.444
  206    HZ3  LYS  28           1HZ      LYS  28  62.071  43.478   1.028
  207    H    GLY  29           H        GLY  29  61.670  43.982  -4.636
  208    HA2  GLY  29           1HA      GLY  29  60.978  41.220  -3.835
  209    HA3  GLY  29           2HA      GLY  29  60.243  41.551  -5.397
  210    H    ALA  30           H        ALA  30  61.659  42.030  -7.180
  211    HA   ALA  30           HA       ALA  30  64.334  40.634  -7.049
  212    HB1  ALA  30           1HB      ALA  30  64.255  40.859  -9.544
  213    HB2  ALA  30           2HB      ALA  30  62.754  40.145  -8.924
  214    HB3  ALA  30           3HB      ALA  30  62.788  41.854  -9.435
  215    H    ILE  31           H        ILE  31  66.276  41.625  -7.063
  216    HA   ILE  31           HA       ILE  31  66.418  44.632  -6.980
  217    HB   ILE  31           HB       ILE  31  67.498  43.329  -5.216
  218   HG12  ILE  31          2HG1      ILE  31  69.684  44.946  -6.631
  219   HG13  ILE  31          1HG1      ILE  31  68.223  45.729  -6.071
  220   HG21  ILE  31          2HG2      ILE  31  69.664  42.461  -7.250
  221   HG22  ILE  31          3HG2      ILE  31  68.476  41.383  -6.488
  222   HG23  ILE  31          1HG2      ILE  31  69.696  42.189  -5.491
  223   HD11  ILE  31          1HD1      ILE  31  68.636  44.990  -3.700
  224   HD12  ILE  31          2HD1      ILE  31  70.159  44.213  -4.208
  225   HD13  ILE  31          3HD1      ILE  31  69.962  45.973  -4.353
  226    H    ILE  32           H        ILE  32  67.378  45.939  -8.438
  227    HA   ILE  32           HA       ILE  32  67.875  44.841 -11.194
  228    HB   ILE  32           HB       ILE  32  68.032  47.087 -12.025
  229   HG12  ILE  32          1HG1      ILE  32  68.974  48.492 -10.384
  230   HG13  ILE  32          2HG1      ILE  32  67.439  49.142 -10.889
  231   HG21  ILE  32          3HG2      ILE  32  65.424  46.725 -10.472
  232   HG22  ILE  32          1HG2      ILE  32  65.853  45.975 -12.028
  233   HG23  ILE  32          2HG2      ILE  32  65.683  47.734 -11.918
  234   HD11  ILE  32          1HD1      ILE  32  66.394  48.386  -8.676
  235   HD12  ILE  32          2HD1      ILE  32  67.759  49.507  -8.479
  236   HD13  ILE  32          3HD1      ILE  32  68.004  47.787  -8.167
  237    H    GLY  33           H        GLY  33  69.775  44.826 -12.282
  238    HA2  GLY  33           1HA      GLY  33  72.350  44.911 -10.722
  239    HA3  GLY  33           2HA      GLY  33  72.184  44.476 -12.404
  240    H    LEU  34           H        LEU  34  71.872  47.324 -10.341
  241    HA   LEU  34           HA       LEU  34  72.982  49.152 -12.511
  242    HB2  LEU  34           1HB      LEU  34  70.909  49.720 -11.101
  243    HB3  LEU  34           2HB      LEU  34  71.952  49.822  -9.700
  244    HG   LEU  34           HG       LEU  34  73.267  51.690 -11.009
  245   HD11  LEU  34          1HD2      LEU  34  72.290  51.277 -13.317
  246   HD12  LEU  34          2HD2      LEU  34  70.675  51.716 -12.711
  247   HD13  LEU  34          3HD2      LEU  34  71.975  52.926 -12.755
  248   HD21  LEU  34          2HD1      LEU  34  71.742  52.160  -9.072
  249   HD22  LEU  34          3HD1      LEU  34  70.337  52.214 -10.163
  250   HD23  LEU  34          1HD1      LEU  34  71.623  53.437 -10.294
  251    H    MET  35           H        MET  35  75.135  49.261 -12.661
  252    HA   MET  35           HA       MET  35  76.970  48.740 -10.289
  253    HB2  MET  35           1HB      MET  35  77.581  49.139 -13.276
  254    HB3  MET  35           2HB      MET  35  78.824  49.032 -12.048
  255    HG2  MET  35           1HG      MET  35  76.811  46.762 -12.603
  256    HG3  MET  35           2HG      MET  35  78.469  46.859 -13.222
  257    HE1  MET  35           2HE      MET  35  77.429  44.364 -11.607
  258    HE2  MET  35           1HE      MET  35  78.819  44.063 -10.521
  259    HE3  MET  35           3HE      MET  35  79.103  44.533 -12.222
  260    H    VAL  36           H        VAL  36  77.509  50.386  -9.063
  261    HA   VAL  36           HA       VAL  36  78.232  53.102 -10.244
  262    HB   VAL  36           HB       VAL  36  76.363  52.826  -7.818
  263   HG11  VAL  36          1HG1      VAL  36  77.973  54.770  -7.553
  264   HG12  VAL  36          2HG1      VAL  36  76.306  55.322  -7.761
  265   HG13  VAL  36          3HG1      VAL  36  77.448  55.425  -9.123
  266   HG21  VAL  36          1HG2      VAL  36  75.741  54.117 -10.570
  267   HG22  VAL  36          2HG2      VAL  36  75.094  52.573  -9.985
  268   HG23  VAL  36          3HG2      VAL  36  74.652  54.070  -9.156
  269    H    GLY  37           H        GLY  37  80.346  52.864  -9.872
  270    HA2  GLY  37           1HA      GLY  37  81.439  51.512  -7.365
  271    HA3  GLY  37           2HA      GLY  37  82.384  51.994  -8.751
  272    H    GLY  38           H        GLY  38  82.978  54.197  -8.955
  273    HA2  GLY  38           1HA      GLY  38  82.358  56.368  -7.099
  274    HA3  GLY  38           2HA      GLY  38  83.770  55.546  -6.445
  275    H    VAL  39           H        VAL  39  82.543  57.353  -9.174
  276    HA   VAL  39           HA       VAL  39  85.365  58.275  -9.831
  277    HB   VAL  39           HB       VAL  39  84.874  56.414 -11.362
  278   HG11  VAL  39          1HG1      VAL  39  82.744  58.142 -12.775
  279   HG12  VAL  39          2HG1      VAL  39  83.353  56.552 -13.287
  280   HG13  VAL  39          3HG1      VAL  39  82.393  56.696 -11.802
  281   HG21  VAL  39          1HG2      VAL  39  85.708  57.479 -13.416
  282   HG22  VAL  39          2HG2      VAL  39  85.201  59.089 -12.849
  283   HG23  VAL  39          3HG2      VAL  39  86.496  58.204 -12.005
  284    H    VAL  40           H        VAL  40  85.109  60.224  -8.915
  285    HA   VAL  40           HA       VAL  40  82.712  61.966  -9.655
  286    HB   VAL  40           HB       VAL  40  83.377  63.541  -7.908
  287   HG11  VAL  40          1HG1      VAL  40  81.549  61.886  -7.472
  288   HG12  VAL  40          2HG1      VAL  40  82.722  60.774  -6.726
  289   HG13  VAL  40          3HG1      VAL  40  82.390  62.359  -5.983
  290   HG21  VAL  40          1HG2      VAL  40  85.285  61.435  -6.707
  291   HG22  VAL  40          2HG2      VAL  40  85.786  62.949  -7.494
  292   HG23  VAL  40          3HG2      VAL  40  84.836  63.008  -6.001
  293   HCG9  23Y 101          HCG9      EVG   1  47.010  44.972  12.813
  294   HCG3  23Y 101          HCG3      EVG   1  44.855  47.210   9.495
  295   HCG7  23Y 101          HCG7      EVG   1  50.526  44.780  10.398
  296   HCG4  23Y 101          HCG4      EVG   1  46.103  44.964   7.852
  297   HCB1  23Y 101          HCB1      EVG   1  43.968  43.577   9.769
  298   HCB2  23Y 101          HCB2      EVG   1  41.858  42.642   8.887
  299   HOB3  23Y 101          HOB3      EVG   1  39.711  44.574   6.819
  300   HCB4  23Y 101          HCB4      EVG   1  41.049  46.334   6.890
  301   HCB5  23Y 101          HCB5      EVG   1  43.140  47.284   7.751
  302   HCC1  23Y 101          HCC1      EVG   1  47.363  48.437   8.896
  303   HOC2  23Y 101          HOC2      EVG   1  47.994  51.061   6.602
  304   HCC3  23Y 101          HCC3      EVG   1  47.138  49.933   4.894
  305   HOC4  23Y 101          HOC4      EVG   1  45.634  46.942   3.775
  306   HCC5  23Y 101          HCC5      EVG   1  45.716  46.001   5.754
  307   HCD1  23Y 101          HCD1      EVG   1  48.739  45.580   7.085
  308   HCD2  23Y 101          HCD2      EVG   1  51.373  44.898   8.416
  309   HCE1  23Y 101          HCE1      EVG   1  50.750  45.756   2.914
  310   HOE2  23Y 101          HOE2      EVG   1  52.761  45.579   1.882
  311   HCE3  23Y 101          HCE3      EVG   1  54.413  44.640   4.820
  312   HCE4  23Y 101          HCE4      EVG   1  53.297  44.650   7.007
  313   HCE6  23Y 101          HCE6      EVG   1  49.601  45.761   5.068
  314   HCF5  23Y 101          HCF5      EVG   1  48.228  45.420  16.474
  315   HCF1  23Y 101          HCF1      EVG   1  48.604  43.762  14.299
  316   HCF2  23Y 101          HCF2      EVG   1  51.442  43.597  14.174
  317   HOF2  23Y 101          HOF2      EVG   1  49.902  43.280  16.511
  318   HCF3  23Y 101          HCF3      EVG   1  52.153  44.609  16.412
  319   HOF3  23Y 101          HOF3      EVG   1  52.595  45.502  14.332
  320   HCF4  23Y 101          HCF4      EVG   1  50.855  46.810  16.929
  321   HOF4  23Y 101          HOF4      EVG   1  49.727  45.687  18.488
  322   HF61  23Y 101          HF61      EVG   1  48.492  47.828  17.259
  323   HF62  23Y 101          HF62      EVG   1  49.152  48.235  15.663
  324   HCF6  23Y 101          HOF6      EVG   1  46.922  48.599  15.697
  325   HCG9  23Y 102          HCG9      EVG   2  72.021  49.134   0.347
  326   HCG3  23Y 102          HCG3      EVG   2  68.810  51.708   2.128
  327   HCG7  23Y 102          HCG7      EVG   2  69.391  48.218  -2.888
  328   HCG4  23Y 102          HCG4      EVG   2  67.205  49.140   1.666
  329   HCB1  23Y 102          HCB1      EVG   2  69.190  48.466   3.976
  330   HCB2  23Y 102          HCB2      EVG   2  68.495  48.169   6.325
  331   HOB3  23Y 102          HOB3      EVG   2  66.624  50.653   8.031
  332   HCB4  23Y 102          HCB4      EVG   2  66.566  51.992   6.250
  333   HCB5  23Y 102          HCB5      EVG   2  67.248  52.306   3.913
  334   HCC1  23Y 102          HCC1      EVG   2  67.778  52.321  -0.410
  335   HOC2  23Y 102          HOC2      EVG   2  65.206  54.594  -1.273
  336   HCC3  23Y 102          HCC3      EVG   2  63.694  53.534  -0.028
  337   HOC4  23Y 102          HOC4      EVG   2  63.006  50.877   2.204
  338   HCC5  23Y 102          HCC5      EVG   2  65.070  50.080   2.070
  339   HCD1  23Y 102          HCD1      EVG   2  66.170  49.240  -1.051
  340   HCD2  23Y 102          HCD2      EVG   2  67.353  48.157  -3.618
  341   HCE1  23Y 102          HCE1      EVG   2  61.877  49.031  -2.792
  342   HOE2  23Y 102          HOE2      EVG   2  60.690  48.479  -4.637
  343   HCE3  23Y 102          HCE3      EVG   2  63.583  47.360  -6.346
  344   HCE4  23Y 102          HCE4      EVG   2  65.829  47.552  -5.376
  345   HCE6  23Y 102          HCE6      EVG   2  64.097  49.227  -1.794
  346   HCF5  23Y 102          HCF5      EVG   2  75.612  49.154  -1.005
  347   HCF1  23Y 102          HCF1      EVG   2  73.386  47.536  -1.081
  348   HCF2  23Y 102          HCF2      EVG   2  73.123  47.019  -3.876
  349   HOF2  23Y 102          HOF2      EVG   2  75.467  46.775  -2.317
  350   HCF3  23Y 102          HCF3      EVG   2  75.374  47.817  -4.780
  351   HOF3  23Y 102          HOF3      EVG   2  73.347  48.735  -5.307
  352   HCF4  23Y 102          HCF4      EVG   2  76.030  50.155  -3.791
  353   HOF4  23Y 102          HOF4      EVG   2  77.329  48.347  -3.790
  354   HF61  23Y 102          HF61      EVG   2  74.864  51.845  -2.300
  355   HF62  23Y 102          HF62      EVG   2  76.452  51.479  -1.610
  356   HCF6  23Y 102          HOF6      EVG   2  75.299  51.005   0.394