*HEADER   NEUROTOXIN                              27-FEB-97   2KTX    
*TITLE    COMPLETE KALIOTOXIN FROM ANDROCTONUS MAURETANICUS           
*TITLE   2 MAURETANICUS, NMR, 18 STRUCTURES                           
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: KALIOTOXIN;                                      
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 ENGINEERED: YES                                            
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 SYNTHETIC: SOLID PHASE;                                    
*SOURCE  3 ORGANISM_SCIENTIFIC: ANDROCTONUS MAURETANICUS MAURETANICUS;
*SOURCE  4 ORGANISM_COMMON: SCORPION                                  
*KEYWDS   NEUROTOXIN, POTASSIUM CHANNEL INHIBITOR                     
*EXPDTA   NMR, 18 STRUCTURES                                          
*AUTHOR   M.GAIRI,R.ROMI,I.FERNANDEZ,H.ROCHAT,M.-F.MARTIN-EAUCLAIRE,  
*AUTHOR  2 J.VAN RIETSCHTOTEN,M.PONS,E.GIRALT                         
*REVDAT  1   16-JUN-97 2KTX    0                                      


!BIOSYM restraint 1
!
#remote_prochiral_center
1:VAL_6:HG1*    1:VAL_6:HG2*    1:VAL_6:CG1     1:VAL_6:CG2     1:VAL_6:CB     
1:VAL_2:HG2*    1:VAL_2:HG1*    1:VAL_2:CG2     1:VAL_2:CG1     1:VAL_2:CB     
1:LEU_15:HD1*   1:LEU_15:HD2*   1:LEU_15:CD1    1:LEU_15:CD2    1:LEU_15:CG    
!
#chiral
1:VAL_2:CA         S
1:GLU_3:CA         S
1:ILE_4:CA         S
1:ILE_4:CB         S
1:ASN_5:CA         S
1:VAL_6:CA         S
1:LYS_7:CA         S
1:CYS_8:CA         R
1:SER_9:CA         S
1:SER_11:CA        S
1:PRO_12:CA        S
1:GLN_13:CA        S
1:CYS_14:CA        R
1:LEU_15:CA        S
1:LYS_16:CA        S
1:PRO_17:CA        S
1:CYS_18:CA        R
1:LYS_19:CA        S
1:ASP_20:CA        S
1:ALA_21:CA        S
1:MET_23:CA        S
1:ARG_24:CA        S
1:PHE_25:CA        S
1:LYS_27:CA        S
1:CYS_28:CA        R
1:MET_29:CA        S
1:ASN_30:CA        S
1:ARG_31:CA        S
1:LYS_32:CA        S
1:CYS_33:CA        R
1:HIS_34:CA        S
1:CYS_35:CA        R
1:THR_36:CA        S
1:THR_36:CB        R
1:PRO_37:CA        S
1:LYS_38:CA        S
!
#distance
1:SER_11:O         1:LEU_15:HN         1.900  2.200 10.00 10.00 1000.000
1:SER_11:O         1:LEU_15:N          1.900  3.200 10.00 10.00 1000.000
1:CYS_14:O         1:CYS_18:HN         1.900  2.200 10.00 10.00 1000.000
1:CYS_14:O         1:CYS_18:N          1.900  3.200 10.00 10.00 1000.000
1:LEU_15:O         1:LYS_19:HN         1.900  2.200 10.00 10.00 1000.000
1:LEU_15:O         1:LYS_19:N          1.900  3.200 10.00 10.00 1000.000
1:PRO_17:O         1:ALA_21:HN         1.900  2.200 10.00 10.00 1000.000
1:PRO_17:O         1:ALA_21:N          1.900  3.200 10.00 10.00 1000.000
1:MET_29:O         1:LYS_32:HN         1.900  2.200 10.00 10.00 1000.000
1:MET_29:O         1:LYS_32:N          1.900  3.200 10.00 10.00 1000.000
1:LYS_32:O         1:MET_29:HN         1.900  2.200 10.00 10.00 1000.000
1:LYS_32:O         1:MET_29:N          1.900  3.200 10.00 10.00 1000.000
1:LYS_27:O         1:HIS_34:HN         1.900  2.200 10.00 10.00 1000.000
1:LYS_27:O         1:HIS_34:N          1.900  3.200 10.00 10.00 1000.000
1:HIS_34:O         1:LYS_27:HN         1.900  2.200 10.00 10.00 1000.000
1:HIS_34:O         1:LYS_27:N          1.900  3.200 10.00 10.00 1000.000
1:PHE_25:O         1:THR_36:HN         1.900  2.200 10.00 10.00 1000.000
1:PHE_25:O         1:THR_36:N          1.900  3.200 10.00 10.00 1000.000
!
#NOE_distance
1:CYS_14:HN        1:LEU_15:HN         1.800  2.800  2.800 10.00 10.00 1000.000  0.00
1:CYS_14:HN        1:GLN_13:HN         1.800  2.800  2.800 10.00 10.00 1000.000  0.00
1:LYS_32:HA        1:CYS_33:HN         1.800  2.800  2.800 10.00 10.00 1000.000  0.00
1:HIS_34:HN        1:CYS_33:HA         1.800  2.800  2.800 10.00 10.00 1000.000  0.00
1:GLU_3:HN         1:VAL_2:HA          1.800  2.800  2.800 10.00 10.00 1000.000  0.00
1:LYS_7:HN         1:LYS_7:HB*         1.800  5.000  4.000 10.00 10.00 1000.000  0.00
1:LYS_19:HN        1:CYS_18:HN         1.800  2.800  2.800 10.00 10.00 1000.000  0.00
1:LEU_15:HN        1:LYS_16:HN         1.800  2.800  2.800 10.00 10.00 1000.000  0.00
1:LYS_7:HN         1:VAL_6:HB          1.800  3.800  3.800 10.00 10.00 1000.000  0.00
1:ARG_31:HN        1:ARG_31:HA         1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:ASN_30:HN        1:ASN_30:HA         1.800  4.000  4.000 10.00 10.00 1000.000  0.00
1:GLY_22:HN        1:ALA_21:HN         1.800  2.800  2.800 10.00 10.00 1000.000  0.00
1:THR_36:HN        1:CYS_35:HA         1.800  2.800  2.800 10.00 10.00 1000.000  0.00
1:LEU_15:HN        1:LEU_15:HA         1.800  2.800  2.800 10.00 10.00 1000.000  0.00
1:ARG_24:HN        1:ARG_24:HA         1.800  4.000  4.000 10.00 10.00 1000.000  0.00
1:LYS_19:HN        1:LYS_19:HA         1.800  4.000  4.000 10.00 10.00 1000.000  0.00
1:ASP_20:HN        1:LYS_19:HN         1.800  2.800  2.800 10.00 10.00 1000.000  0.00
1:ASP_20:HN        1:ALA_21:HN         1.800  2.800  2.800 10.00 10.00 1000.000  0.00
1:THR_36:HN        1:ARG_24:HN         1.800  3.500  3.500 10.00 10.00 1000.000  0.00
1:SER_9:HN         1:GLY_10:HN         1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:GLY_26:HN        1:PHE_25:HD*        1.800  5.000  4.000 10.00 10.00 1000.000  0.00
1:LYS_27:HN        1:GLY_26:HN         1.800  5.000  5.000 10.00 10.00 1000.000  0.00
1:ARG_31:HN        1:LYS_32:HN         1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:ARG_24:HN        1:PHE_25:HN         1.800  3.500  3.500 10.00 10.00 1000.000  0.00
1:LYS_32:HN        1:MET_29:HN         1.800  3.500  3.500 10.00 10.00 1000.000  0.00
1:CYS_35:HN        1:VAL_2:HN          1.800  4.000  4.000 10.00 10.00 1000.000  0.00
1:LYS_27:HN        1:HIS_34:HN         1.800  3.500  3.500 10.00 10.00 1000.000  0.00
1:VAL_6:HN         1:VAL_6:HB          1.800  4.000  4.000 10.00 10.00 1000.000  0.00
1:HIS_34:HN        1:CYS_33:HB1        1.800  4.000  4.000 10.00 10.00 1000.000  0.00
1:HIS_34:HN        1:CYS_33:HB2        1.800  4.000  4.000 10.00 10.00 1000.000  0.00
1:ASN_30:HN        1:MET_29:HA         1.800  4.000  4.000 10.00 10.00 1000.000  0.00
1:THR_36:HN        1:THR_36:HB         1.800  4.000  4.000 10.00 10.00 1000.000  0.00
1:ARG_31:HN        1:ASN_30:HA         1.800  2.800  2.800 10.00 10.00 1000.000  0.00
1:SER_9:HN         1:CYS_8:HA          1.800  2.800  2.800 10.00 10.00 1000.000  0.00
1:CYS_35:HN        1:HIS_34:HA         1.800  2.800  2.800 10.00 10.00 1000.000  0.00
1:VAL_2:HN         1:VAL_2:HB          1.800  4.000  4.000 10.00 10.00 1000.000  0.00
1:MET_29:HN        1:CYS_28:HA         1.800  2.800  2.800 10.00 10.00 1000.000  0.00
1:LYS_27:HN        1:LYS_27:HB*        1.800  5.000  4.000 10.00 10.00 1000.000  0.00
1:THR_36:HN        1:CYS_35:HB1        1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:THR_36:HN        1:CYS_35:HB2        1.800  4.000  4.000 10.00 10.00 1000.000  0.00
1:GLN_13:HN        1:GLN_13:HA         1.800  4.000  4.000 10.00 10.00 1000.000  0.00
1:LYS_7:HN         1:VAL_6:HA          1.800  2.800  2.800 10.00 10.00 1000.000  0.00
1:LYS_7:HN         1:VAL_6:HGR*        1.800  5.000  3.500 10.00 10.00 1000.000  0.00
1:LYS_7:HN         1:VAL_6:HGS*        1.800  5.000  3.500 10.00 10.00 1000.000  0.00
1:GLU_3:HN         1:VAL_2:HG2*        1.800  5.500  4.000 10.00 10.00 1000.000  0.00
1:GLU_3:HN         1:VAL_2:HG1*        1.800  5.500  4.000 10.00 10.00 1000.000  0.00
1:CYS_33:HN        1:LYS_32:HB*        1.800  4.500  3.500 10.00 10.00 1000.000  0.00
1:LYS_27:HN        1:GLY_26:HA1        1.800  3.500  3.500 10.00 10.00 1000.000  0.00
1:LYS_27:HN        1:GLY_26:HA2        1.800  3.500  3.500 10.00 10.00 1000.000  0.00
1:MET_23:HN        1:MET_23:HG*        1.800  5.500  4.000 10.00 10.00 1000.000  0.00
1:CYS_14:HN        1:SER_11:HA         1.800  3.500  3.500 10.00 10.00 1000.000  0.00
1:ILE_4:HN         1:GLU_3:HB*         1.800  5.000  4.000 10.00 10.00 1000.000  0.00
1:GLY_26:HN        1:PHE_25:HA         1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:GLY_26:HN        1:PHE_25:HBS        1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:GLY_26:HN        1:PHE_25:HBR        1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:VAL_6:HN         1:ASN_5:HA          1.800  2.800  2.800 10.00 10.00 1000.000  0.00
1:GLY_22:HN        1:ALA_21:HA         1.800  3.500  3.500 10.00 10.00 1000.000  0.00
1:LYS_19:HN        1:CYS_18:HBS        1.800  5.500  4.500 10.00 10.00 1000.000  0.00
1:LYS_32:HN        1:ARG_31:HA         1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:GLY_10:HN        1:SER_9:HA          1.800  4.000  4.000 10.00 10.00 1000.000  0.00
1:MET_29:HN        1:CYS_28:HBS        1.800  4.000  4.000 10.00 10.00 1000.000  0.00
1:MET_29:HN        1:CYS_28:HBR        1.800  4.000  4.000 10.00 10.00 1000.000  0.00
1:ASP_20:HN        1:LYS_19:HG*        1.800  5.000  4.000 10.00 10.00 1000.000  0.00
1:CYS_8:HN         1:LYS_32:HA         1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:CYS_8:HN         1:LYS_32:HB*        1.800  5.000  4.000 10.00 10.00 1000.000  0.00
1:CYS_8:HN         1:ARG_31:HA         1.800  3.500  3.500 10.00 10.00 1000.000  0.00
1:SER_9:HN         1:CYS_8:HBR         1.800  3.500  3.500 10.00 10.00 1000.000  0.00
1:SER_9:HN         1:CYS_8:HBS         1.800  3.500  3.500 10.00 10.00 1000.000  0.00
1:CYS_35:HN        1:GLU_3:HA          1.800  3.500  3.500 10.00 10.00 1000.000  0.00
1:CYS_35:HN        1:GLU_3:HB*         1.800  5.000  4.000 10.00 10.00 1000.000  0.00
1:ASP_20:HN        1:LYS_19:HA         1.800  3.500  3.500 10.00 10.00 1000.000  0.00
1:LYS_27:HN        1:CYS_35:HB1        1.800  4.000  4.000 10.00 10.00 1000.000  0.00
1:CYS_28:HN        1:SER_11:HA         1.800  4.000  4.000 10.00 10.00 1000.000  0.00
1:LYS_38:HN        1:PRO_37:HA         1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:ARG_31:HN        1:MET_29:HA         1.800  4.000  4.000 10.00 10.00 1000.000  0.00
1:CYS_33:HN        1:ILE_4:HD1*        1.800  6.000  5.000 10.00 10.00 1000.000  0.00
1:LYS_27:HN        1:CYS_35:HA         1.800  4.000  4.000 10.00 10.00 1000.000  0.00
1:ARG_24:HN        1:MET_23:HA         1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:ILE_4:HN         1:HIS_34:HA         1.800  4.000  4.000 10.00 10.00 1000.000  0.00
1:MET_23:HN        1:LYS_19:HA         1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:VAL_6:HN         1:ILE_4:HG1*        1.800  5.000  4.000 10.00 10.00 1000.000  0.00
1:GLN_13:HN        1:PRO_12:HA         1.800  3.500  3.500 10.00 10.00 1000.000  0.00
1:GLN_13:HN        1:PRO_12:HD*        1.800  5.000  4.000 10.00 10.00 1000.000  0.00
1:GLN_13:HN        1:GLY_10:HA2        1.800  4.000  4.000 10.00 10.00 1000.000  0.00
1:VAL_6:HN         1:ILE_4:HD1*        1.800  6.000  5.000 10.00 10.00 1000.000  0.00
1:HIS_34:HN        1:CYS_28:HA         1.800  3.500  3.500 10.00 10.00 1000.000  0.00
1:MET_29:HN        1:CYS_33:HA         1.800  3.500  3.500 10.00 10.00 1000.000  0.00
1:LYS_38:HN        1:MET_23:HA         1.800  4.500  4.500 10.00 10.00 1000.000  0.00
1:CYS_33:HN        1:LYS_7:HA          1.800  4.500  4.500 10.00 10.00 1000.000  0.00
1:CYS_28:HN        1:LYS_27:HB*        1.800  4.500  3.500 10.00 10.00 1000.000  0.00
1:CYS_18:HN        1:PRO_17:HA         1.800  3.500  3.500 10.00 10.00 1000.000  0.00
1:CYS_18:HN        1:PRO_17:HB*        1.800  4.500  3.500 10.00 10.00 1000.000  0.00
1:CYS_18:HN        1:PRO_17:HG*        1.800  6.000  5.000 10.00 10.00 1000.000  0.00
1:CYS_18:HN        1:ILE_4:HD1*        1.800  6.000  5.000 10.00 10.00 1000.000  0.00
1:LYS_16:HN        1:LEU_15:HA         1.800  4.500  4.500 10.00 10.00 1000.000  0.00
1:LYS_16:HN        1:LEU_15:HB*        1.800  4.000  3.000 10.00 10.00 1000.000  0.00
1:VAL_2:HN         1:PRO_37:HD*        1.800  5.500  4.500 10.00 10.00 1000.000  0.00
1:CYS_28:HN        1:LYS_27:HA         1.800  2.800  2.800 10.00 10.00 1000.000  0.00
1:CYS_28:HN        1:LYS_27:HG*        1.800  6.000  5.000 10.00 10.00 1000.000  0.00
1:THR_36:HN        1:MET_23:HE*        1.800  6.000  5.000 10.00 10.00 1000.000  0.00
1:ASN_5:HN         1:ILE_4:HA          1.800  2.800  2.800 10.00 10.00 1000.000  0.00
1:ASN_5:HN         1:ILE_4:HB          1.800  2.800  2.800 10.00 10.00 1000.000  0.00
1:ASN_5:HN         1:ILE_4:HG2*        1.800  5.000  4.000 10.00 10.00 1000.000  0.00
1:ASN_5:HN         1:ILE_4:HD1*        1.800  6.000  5.000 10.00 10.00 1000.000  0.00
1:ARG_24:HN        1:MET_23:HB*        1.800  4.000  3.000 10.00 10.00 1000.000  0.00
1:ARG_24:HN        1:MET_23:HG*        1.800  4.500  3.500 10.00 10.00 1000.000  0.00
1:ARG_24:HN        1:MET_23:HE*        1.800  4.000  3.000 10.00 10.00 1000.000  0.00
1:ARG_24:HN        1:CYS_35:HB1        1.800  4.500  4.500 10.00 10.00 1000.000  0.00
1:ARG_24:HN        1:CYS_35:HB2        1.800  5.000  5.000 10.00 10.00 1000.000  0.00
1:ARG_24:HN        1:PRO_37:HA         1.800  5.000  5.000 10.00 10.00 1000.000  0.00
1:ILE_4:HN         1:GLU_3:HA          1.800  2.800  2.800 10.00 10.00 1000.000  0.00
1:ILE_4:HN         1:CYS_33:HB1        1.800  5.000  5.000 10.00 10.00 1000.000  0.00
1:ILE_4:HN         1:CYS_33:HB2        1.800  5.000  5.000 10.00 10.00 1000.000  0.00
1:LYS_38:HN        1:PRO_37:HG*        1.800  6.000  5.000 10.00 10.00 1000.000  0.00
1:LYS_38:HN        1:PRO_37:HB*        1.800  5.500  4.500 10.00 10.00 1000.000  0.00
1:LYS_38:HN        1:MET_23:HG*        1.800  6.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_25:HN        1:ARG_24:HA         1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:PHE_25:HN        1:ARG_24:HG*        1.800  4.000  3.000 10.00 10.00 1000.000  0.00
1:CYS_14:HN        1:GLN_13:HB*        1.800  5.000  4.000 10.00 10.00 1000.000  0.00
1:CYS_33:HN        1:CYS_14:HA         1.800  5.000  5.000 10.00 10.00 1000.000  0.00
1:MET_23:HN        1:ALA_21:HA         1.800  5.000  5.000 10.00 10.00 1000.000  0.00
1:MET_23:HN        1:ALA_21:HB*        1.800  5.500  4.500 10.00 10.00 1000.000  0.00
1:GLY_22:HN        1:LYS_19:HA         1.800  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLY_10:HN        1:SER_9:HBS         1.800  4.000  4.000 10.00 10.00 1000.000  0.00
1:GLY_10:HN        1:SER_9:HBR         1.800  4.000  4.000 10.00 10.00 1000.000  0.00
1:ALA_21:HN        1:ASP_20:HA         1.800  3.000  3.000 10.00 10.00 1000.000  0.00
1:ALA_21:HN        1:ASP_20:HB*        1.800  4.000  3.000 10.00 10.00 1000.000  0.00
1:LYS_7:HA         1:LYS_32:HA         1.800  4.000  4.000 10.00 10.00 1000.000  0.00
1:GLY_26:HA1       1:CYS_35:HA         1.800  4.500  4.500 10.00 10.00 1000.000  0.00
1:GLU_3:HA         1:HIS_34:HA         1.800  3.500  3.500 10.00 10.00 1000.000  0.00
1:LEU_15:HA        1:CYS_18:HN         1.800  4.000  4.000 10.00 10.00 1000.000  0.00
1:LEU_15:HA        1:CYS_18:HBS        1.800  4.000  4.000 10.00 10.00 1000.000  0.00
1:PHE_25:HD*       1:ARG_24:HB*        1.800  6.000  4.000 10.00 10.00 1000.000  0.00
1:PHE_25:HD*       1:THR_36:HB         1.800  5.000  4.000 10.00 10.00 1000.000  0.00
1:PHE_25:HE*       1:ARG_24:HB*        1.800  6.000  4.000 10.00 10.00 1000.000  0.00
1:LEU_15:HN        1:PRO_12:HA         1.800  4.000  4.000 10.00 10.00 1000.000  0.00
1:LEU_15:HN        1:CYS_14:HA         1.800  3.500  3.500 10.00 10.00 1000.000  0.00
1:LEU_15:HN        1:CYS_14:HB1        1.800  3.500  3.500 10.00 10.00 1000.000  0.00
1:LEU_15:HN        1:CYS_14:HB2        1.800  3.500  3.500 10.00 10.00 1000.000  0.00
1:PRO_37:HD*       1:VAL_2:HG1*        1.800  6.000  4.000 10.00 10.00 1000.000  0.00
1:GLU_3:HA         1:ILE_4:HG2*        1.800  6.500  5.500 10.00 10.00 1000.000  0.00
1:SER_11:HA        1:CYS_28:HBS        1.800  4.000  4.000 10.00 10.00 1000.000  0.00
1:SER_11:HA        1:CYS_28:HBR        1.800  4.000  4.000 10.00 10.00 1000.000  0.00
1:ILE_4:HD1*       1:VAL_6:HB          1.800  4.500  4.500 10.00 10.00 1000.000  0.00
1:ILE_4:HD1*       1:CYS_33:HB1        1.800  5.500  4.500 10.00 10.00 1000.000  0.00
1:ILE_4:HD1*       1:CYS_33:HB2        1.800  5.500  4.500 10.00 10.00 1000.000  0.00
1:VAL_6:HB         1:CYS_33:HB2        1.800  5.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_6:HB         1:CYS_33:HB1        1.800  5.500  5.500 10.00 10.00 1000.000  0.00
1:LEU_15:HN        1:PRO_17:HD*        1.800  6.000  5.000 10.00 10.00 1000.000  0.00
1:CYS_18:HN        1:PRO_17:HD*        1.800  5.000  4.000 10.00 10.00 1000.000  0.00
1:HIS_34:HD2       1:HIS_34:HA         1.800  4.500  4.500 10.00 10.00 1000.000  0.00
1:HIS_34:HD2       1:CYS_33:HA         1.800  5.000  5.000 10.00 10.00 1000.000  0.00
1:HIS_34:HD2       1:CYS_28:HA         1.800  5.000  5.000 10.00 10.00 1000.000  0.00
1:HIS_34:HD2       1:MET_29:HB*        1.800  4.500  3.500 10.00 10.00 1000.000  0.00
1:HIS_34:HD2       1:LYS_32:HB*        1.800  5.500  4.500 10.00 10.00 1000.000  0.00
1:HIS_34:HD2       1:MET_29:HN         1.800  4.500  4.500 10.00 10.00 1000.000  0.00
1:HIS_34:HD2       1:HIS_34:HN         1.800  4.500  4.500 10.00 10.00 1000.000  0.00
1:LYS_16:HN        1:PRO_17:HD*        1.800  3.800  2.800 10.00 10.00 1000.000  0.00
1:LYS_19:HN        1:CYS_18:HA         1.800  3.500  3.500 10.00 10.00 1000.000  0.00
1:LYS_19:HN        1:LEU_15:HA         1.800  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLY_26:HA1       1:LEU_15:HA         1.800  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASN_5:HN         1:VAL_6:HN          1.800  5.000  5.000 10.00 10.00 1000.000  0.00
1:ALA_21:HN        1:MET_23:HN         1.800  5.000  5.000 10.00 10.00 1000.000  0.00
1:ILE_4:HD1*       1:PRO_17:HB*        1.800  6.000  4.000 10.00 10.00 1000.000  0.00
1:VAL_6:HGS*       1:PRO_17:HB*        1.800  6.500  5.000 10.00 10.00 1000.000  0.00
1:VAL_6:HGR*       1:PRO_17:HG*        1.800  6.500  5.000 10.00 10.00 1000.000  0.00
1:VAL_6:HGR*       1:PRO_17:HB*        1.800  6.500  5.000 10.00 10.00 1000.000  0.00
1:MET_23:HE*       1:CYS_35:HB1        1.800  6.000  5.000 10.00 10.00 1000.000  0.00
1:MET_23:HE*       1:CYS_35:HB2        1.800  6.000  5.000 10.00 10.00 1000.000  0.00
1:GLY_22:HN        1:ALA_21:HB*        1.800  4.500  3.500 10.00 10.00 1000.000  0.00
1:SER_11:HN        1:GLY_10:HA1        1.800  4.000  4.000 10.00 10.00 1000.000  0.00
1:SER_11:HN        1:GLY_10:HA2        1.800  4.000  4.000 10.00 10.00 1000.000  0.00
1:SER_11:HN        1:PRO_12:HD*        1.800  4.500  3.500 10.00 10.00 1000.000  0.00
1:ILE_4:HD1*       1:CYS_18:HA         1.800  5.000  4.000 10.00 10.00 1000.000  0.00
1:ILE_4:HD1*       1:ALA_21:HB*        1.800  5.500  4.500 10.00 10.00 1000.000  0.00
1:ILE_4:HG2*       1:ALA_21:HB*        1.800  5.500  4.500 10.00 10.00 1000.000  0.00
1:VAL_2:HG2*       1:PRO_37:HG*        1.800  6.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_2:HG1*       1:PRO_37:HB*        1.800  6.000  5.000 10.00 10.00 1000.000  0.00
1:CYS_28:HA        1:SER_11:HB*        1.800  5.000  4.000 10.00 10.00 1000.000  0.00
1:ASN_30:HN        1:ARG_31:HN         1.800  6.000  5.000 10.00 10.00 1000.000  0.00
1:GLN_13:HN        1:PRO_12:HB*        1.800  4.500  3.500 10.00 10.00 1000.000  0.00
1:CYS_33:HN        1:VAL_6:HB          1.800  4.000  4.000 10.00 10.00 1000.000  0.00
1:PRO_12:HA        1:LEU_15:HD1*       1.800  6.000  5.000 10.00 10.00 1000.000  0.00
1:PRO_12:HA        1:LEU_15:HG         1.800  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLY_26:HA1       1:CYS_14:HB1        1.800  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLY_26:HA1       1:CYS_14:HB2        1.800  5.500  5.500 10.00 10.00 1000.000  0.00
1:GLY_26:HA2       1:CYS_14:HB1        1.800  4.500  4.500 10.00 10.00 1000.000  0.00
1:GLY_26:HA2       1:CYS_14:HB2        1.800  5.000  5.000 10.00 10.00 1000.000  0.00
1:LYS_16:HA        1:LEU_15:HD1*       1.800  6.500  5.500 10.00 10.00 1000.000  0.00
1:LYS_16:HA        1:LEU_15:HD2*       1.800  6.000  5.000 10.00 10.00 1000.000  0.00
1:CYS_33:HA        1:CYS_14:HB1        1.800  5.000  5.000 10.00 10.00 1000.000  0.00
1:SER_11:HA        1:LYS_27:HA         1.800  4.500  4.500 10.00 10.00 1000.000  0.00
1:MET_23:HB*       1:CYS_35:HB1        1.800  6.000  5.000 10.00 10.00 1000.000  0.00
1:MET_23:HB*       1:CYS_35:HB2        1.800  6.000  5.000 10.00 10.00 1000.000  0.00
1:MET_23:HE*       1:PRO_37:HD*        1.800  6.000  4.500 10.00 10.00 1000.000  0.00
1:THR_36:HB        1:ARG_24:HB*        1.800  6.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_25:HD*       1:THR_36:HG2*       1.800  6.000  4.000 10.00 10.00 1000.000  0.00
1:GLY_10:HN        1:CYS_8:HBR         1.800  4.000  4.000 10.00 10.00 1000.000  0.00
1:GLY_10:HN        1:CYS_8:HBS         1.800  4.500  4.500 10.00 10.00 1000.000  0.00
1:HIS_34:HD2       1:HIS_34:HBR        1.800  4.500  4.500 10.00 10.00 1000.000  0.00
1:HIS_34:HD2       1:HIS_34:HBS        1.800  4.500  4.500 10.00 10.00 1000.000  0.00
1:HIS_34:HD2       1:GLU_3:HA          1.800  5.000  5.000 10.00 10.00 1000.000  0.00
1:HIS_34:HD2       1:GLU_3:HB*         1.800  6.000  5.000 10.00 10.00 1000.000  0.00
1:HIS_34:HE1       1:MET_29:HB*        1.800  6.000  5.000 10.00 10.00 1000.000  0.00
1:HIS_34:HE1       1:LYS_32:HB*        1.800  5.500  4.500 10.00 10.00 1000.000  0.00
!
#mixing_times
-9.990000E+02 
!
#NMR_dihedral
1:CYS_14:C         1:LEU_15:N         1:LEU_15:CA        1:LEU_15:C         -35.000 -85.000 30.00 30.00 1000.000
1:CYS_18:C         1:LYS_19:N         1:LYS_19:CA        1:LYS_19:C         -35.000 -85.000 30.00 30.00 1000.000
1:PRO_17:C         1:CYS_18:N         1:CYS_18:CA        1:CYS_18:C         -35.000 -85.000 30.00 30.00 1000.000
1:ARG_31:C         1:LYS_32:N         1:LYS_32:CA        1:LYS_32:C         -95.000 -145.000 30.00 30.00 1000.000
1:ALA_21:C         1:GLY_22:N         1:GLY_22:CA        1:GLY_22:C         -95.000 -145.000 30.00 30.00 1000.000
1:GLN_13:C         1:CYS_14:N         1:CYS_14:CA        1:CYS_14:C         -35.000 -85.000 30.00 30.00 1000.000
1:VAL_2:C          1:GLU_3:N          1:GLU_3:CA         1:GLU_3:C          -95.000 -145.000 30.00 30.00 1000.000
1:CYS_33:C         1:HIS_34:N         1:HIS_34:CA        1:HIS_34:C         -95.000 -145.000 30.00 30.00 1000.000
1:LYS_27:C         1:CYS_28:N         1:CYS_28:CA        1:CYS_28:C         -95.000 -145.000 30.00 30.00 1000.000
1:LEU_15:C         1:LYS_16:N         1:LYS_16:CA        1:LYS_16:C         -35.000 -90.000 30.00 30.00 1000.000
1:HIS_34:C         1:CYS_35:N         1:CYS_35:CA        1:CYS_35:C         -95.000 -145.000 30.00 30.00 1000.000
1:CYS_35:C         1:THR_36:N         1:THR_36:CA        1:THR_36:C         -95.000 -145.000 30.00 30.00 1000.000
1:ASN_5:C          1:VAL_6:N          1:VAL_6:CA         1:VAL_6:C          -95.000 -145.000 30.00 30.00 1000.000
1:CYS_8:C          1:SER_9:N          1:SER_9:CA         1:SER_9:C          -95.000 -145.000 30.00 30.00 1000.000
1:SER_9:C          1:GLY_10:N         1:GLY_10:CA        1:GLY_10:C         -35.000 -85.000 30.00 30.00 1000.000
1:ASN_30:C         1:ARG_31:N         1:ARG_31:CA        1:ARG_31:C         -55.000 -105.000 30.00 30.00 1000.000
1:MET_29:C         1:ASN_30:N         1:ASN_30:CA        1:ASN_30:C         -55.000 -105.000 30.00 30.00 1000.000
1:GLU_3:C          1:ILE_4:N          1:ILE_4:CA         1:ILE_4:C          -95.000 -145.000 30.00 30.00 1000.000
1:GLY_22:C         1:MET_23:N         1:MET_23:CA        1:MET_23:C         -85.000 -155.000 30.00 30.00 1000.000
1:ASP_20:C         1:ALA_21:N         1:ALA_21:CA        1:ALA_21:C         -85.000 -155.000 30.00 30.00 1000.000
1:LYS_19:C         1:ASP_20:N         1:ASP_20:CA        1:ASP_20:C         -35.000 -90.000 30.00 30.00 1000.000
1:CYS_28:C         1:MET_29:N         1:MET_29:CA        1:MET_29:C         -95.000 -145.000 30.00 30.00 1000.000
1:GLY_26:C         1:LYS_27:N         1:LYS_27:CA        1:LYS_27:C         -95.000 -145.000 30.00 30.00 1000.000

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLY   1          1H        GLY   1  -2.719   3.193   8.119
    2   2H    GLY   1          2H        GLY   1  -1.338   4.068   8.098
    3   1HA   GLY   1          1HA       GLY   1  -1.221   2.357   6.425
    4   2HA   GLY   1          2HA       GLY   1   0.012   2.103   7.679
    5    H    VAL   2           H        VAL   2  -0.241  -0.117   6.669
    6    HA   VAL   2           HA       VAL   2  -0.728  -2.353   7.099
    7    HB   VAL   2           HB       VAL   2  -2.325  -1.478   9.561
    8   1HG1  VAL   2          2HG1      VAL   2  -1.077  -4.164   8.685
    9   2HG1  VAL   2          3HG1      VAL   2  -1.873  -3.863  10.251
   10   3HG1  VAL   2          1HG1      VAL   2  -2.824  -3.802   8.744
   11   1HG2  VAL   2          3HG2      VAL   2   0.635  -2.303   9.247
   12   2HG2  VAL   2          2HG2      VAL   2   0.036  -0.721   9.821
   13   3HG2  VAL   2          1HG2      VAL   2  -0.220  -2.179  10.805
   14    H    GLU   3           H        GLU   3  -1.638  -2.032   5.223
   15    HA   GLU   3           HA       GLU   3  -3.278  -2.067   3.607
   16   1HB   GLU   3          1HB       GLU   3  -5.007  -3.661   3.721
   17   2HB   GLU   3          2HB       GLU   3  -3.568  -4.309   4.491
   18   1HG   GLU   3          1HG       GLU   3  -4.626  -3.974   6.752
   19   2HG   GLU   3          2HG       GLU   3  -6.088  -3.338   5.973
   20    HE2  GLU   3           HE2      GLU   3  -4.777  -5.818   7.264
   21    H    ILE   4           H        ILE   4  -3.665  -0.139   3.233
   22    HA   ILE   4           HA       ILE   4  -5.874   1.318   4.751
   23    HB   ILE   4           HB       ILE   4  -5.217   3.263   3.345
   24   1HG1  ILE   4          1HG1      ILE   4  -2.764   1.596   2.505
   25   2HG1  ILE   4          2HG1      ILE   4  -4.132   1.878   1.429
   26   1HG2  ILE   4          2HG2      ILE   4  -4.295   2.779   5.668
   27   2HG2  ILE   4          3HG2      ILE   4  -2.877   2.003   4.915
   28   3HG2  ILE   4          1HG2      ILE   4  -3.178   3.744   4.685
   29   1HD1  ILE   4          2HD1      ILE   4  -3.832   4.364   1.636
   30   2HD1  ILE   4          3HD1      ILE   4  -2.356   4.084   2.604
   31   3HD1  ILE   4          1HD1      ILE   4  -2.435   3.527   0.915
   32    H    ASN   5           H        ASN   5  -7.698   2.009   3.763
   33    HA   ASN   5           HA       ASN   5  -8.467   0.401   1.287
   34   1HB   ASN   5          1HB       ASN   5 -10.787   1.221   1.774
   35   2HB   ASN   5          2HB       ASN   5 -10.078   0.242   3.059
   36   1HD2  ASN   5          1HD2      ASN   5 -10.318   2.740   5.518
   37   2HD2  ASN   5          2HD2      ASN   5  -9.811   1.045   5.033
   38    H    VAL   6           H        VAL   6  -7.783   1.331  -0.492
   39    HA   VAL   6           HA       VAL   6  -8.689   4.143  -1.043
   40    HB   VAL   6           HB       VAL   6  -5.780   3.151  -0.970
   41   1HG1  VAL   6          1HG1      VAL   6  -6.677   5.550  -2.673
   42   2HG1  VAL   6          3HG1      VAL   6  -4.993   5.173  -2.226
   43   3HG1  VAL   6          2HG1      VAL   6  -5.900   4.057  -3.272
   44   1HG2  VAL   6          2HG2      VAL   6  -6.576   4.554   0.956
   45   2HG2  VAL   6          1HG2      VAL   6  -5.303   5.395   0.033
   46   3HG2  VAL   6          3HG2      VAL   6  -7.011   5.868  -0.171
   47    H    LYS   7           H        LYS   7  -8.483   1.255  -1.598
   48    HA   LYS   7           HA       LYS   7  -8.686  -0.321  -3.499
   49   1HB   LYS   7          1HB       LYS   7 -10.255   2.099  -4.564
   50   2HB   LYS   7          2HB       LYS   7 -10.334   0.456  -5.210
   51   1HG   LYS   7          1HG       LYS   7 -11.079  -0.389  -2.941
   52   2HG   LYS   7          2HG       LYS   7 -11.080   1.274  -2.331
   53   1HD   LYS   7          1HD       LYS   7 -12.697   1.933  -4.168
   54   2HD   LYS   7          2HD       LYS   7 -12.763   0.249  -4.703
   55   1HE   LYS   7          1HE       LYS   7 -13.529   1.235  -1.877
   56   2HE   LYS   7          2HE       LYS   7 -14.683   0.888  -3.177
   57   1HZ   LYS   7          1HZ       LYS   7 -13.909  -1.390  -3.220
   58   2HZ   LYS   7          2HZ       LYS   7 -14.450  -0.995  -1.729
   59    H    CYS   8           H        CYS   8  -6.798  -0.734  -4.380
   60    HA   CYS   8           HA       CYS   8  -5.415   1.372  -5.981
   61   1HB   CYS   8          1HB       CYS   8  -3.551  -0.074  -5.997
   62   2HB   CYS   8          2HB       CYS   8  -4.369  -0.475  -4.488
   63    H    SER   9           H        SER   9  -4.279   0.613  -7.840
   64    HA   SER   9           HA       SER   9  -6.009  -0.958  -9.832
   65   1HB   SER   9          1HB       SER   9  -6.153   1.642  -9.802
   66   2HB   SER   9          2HB       SER   9  -4.492   1.670 -10.409
   67    HG   SER   9           HG       SER   9  -6.030   1.692 -12.093
   68    H    GLY  10           H        GLY   1  -3.463  -0.915  -8.132
   69   1HA   GLY  10          1HA       GLY   1  -1.819  -2.792  -9.407
   70   2HA   GLY  10          2HA       GLY   1  -1.325  -1.289 -10.227
   71    H    SER  11           H        SER   1   0.278  -2.986  -8.614
   72    HA   SER  11           HA       SER   1   0.619  -1.818  -5.979
   73   1HB   SER  11          1HB       SER   1   2.939  -2.899  -6.030
   74   2HB   SER  11          2HB       SER   1   1.509  -3.925  -6.181
   75    HG   SER  11           HG       SER   1   3.095  -4.438  -7.708
   76    HA   PRO  12           HA       PRO   1   3.997   1.233  -7.392
   77   1HB   PRO  12          1HB       PRO   1   2.824   2.009 -10.112
   78   2HB   PRO  12          2HB       PRO   1   4.495   2.271  -9.530
   79   1HG   PRO  12          1HG       PRO   1   4.016   0.108 -11.076
   80   2HG   PRO  12          2HG       PRO   1   4.962  -0.120  -9.577
   81   1HD   PRO  12          1HD       PRO   1   2.031  -0.799 -10.061
   82   2HD   PRO  12          2HD       PRO   1   3.275  -1.681  -9.130
   83    H    GLN  13           H        GLN   1   0.584   1.564  -8.116
   84    HA   GLN  13           HA       GLN   1   0.573   4.498  -7.455
   85   1HB   GLN  13          1HB       GLN   1  -1.732   2.491  -7.856
   86   2HB   GLN  13          2HB       GLN   1  -1.942   4.225  -7.584
   87   1HG   GLN  13          1HG       GLN   1  -0.549   4.707  -9.652
   88   2HG   GLN  13          2HG       GLN   1  -0.433   2.967  -9.966
   89   1HE2  GLN  13          1HE2      GLN   1  -3.322   3.508 -11.967
   90   2HE2  GLN  13          2HE2      GLN   1  -1.505   3.262 -11.909
   91    H    CYS  14           H        CYS   1   0.507   1.497  -5.806
   92    HA   CYS  14           HA       CYS   1  -1.018   2.478  -3.394
   93   1HB   CYS  14          1HB       CYS   1   0.778  -0.006  -3.910
   94   2HB   CYS  14          2HB       CYS   1   0.102   0.403  -2.336
   95    H    LEU  15           H        LEU   1   2.195   1.833  -4.580
   96    HA   LEU  15           HA       LEU   1   3.805   2.102  -2.272
   97   1HB   LEU  15          1HB       LEU   1   4.533   1.286  -4.519
   98   2HB   LEU  15          2HB       LEU   1   4.344   2.893  -5.200
   99    HG   LEU  15           HG       LEU   1   6.210   3.743  -3.700
  100   1HD1  LEU  15          3HD2      LEU   1   6.489   0.752  -2.973
  101   2HD1  LEU  15          2HD2      LEU   1   7.659   2.034  -2.564
  102   3HD1  LEU  15          1HD2      LEU   1   6.032   2.051  -1.837
  103   1HD2  LEU  15          2HD1      LEU   1   6.620   2.951  -6.034
  104   2HD2  LEU  15          3HD1      LEU   1   8.003   2.570  -4.972
  105   3HD2  LEU  15          1HD1      LEU   1   6.855   1.286  -5.436
  106    H    LYS  16           H        LYS   1   3.107   4.549  -4.616
  107    HA   LYS  16           HA       LYS   1   4.538   6.717  -3.368
  108   1HB   LYS  16          1HB       LYS   1   2.145   6.981  -5.228
  109   2HB   LYS  16          2HB       LYS   1   3.195   8.305  -4.714
  110   1HG   LYS  16          1HG       LYS   1   5.204   7.030  -5.628
  111   2HG   LYS  16          2HG       LYS   1   4.102   5.801  -6.272
  112   1HD   LYS  16          1HD       LYS   1   2.891   7.573  -7.592
  113   2HD   LYS  16          2HD       LYS   1   3.997   8.801  -6.957
  114   1HE   LYS  16          1HE       LYS   1   5.956   7.563  -7.967
  115   2HE   LYS  16          2HE       LYS   1   4.847   6.332  -8.603
  116   1HZ   LYS  16          1HZ       LYS   1   4.727   9.230  -9.248
  117   2HZ   LYS  16          2HZ       LYS   1   3.706   8.096  -9.835
  118    HA   PRO  17           HA       PRO   1   1.288   8.411  -0.586
  119   1HB   PRO  17          1HB       PRO   1  -1.212   7.374  -0.134
  120   2HB   PRO  17          2HB       PRO   1  -0.853   8.357  -1.582
  121   1HG   PRO  17          1HG       PRO   1  -0.829   5.293  -1.382
  122   2HG   PRO  17          2HG       PRO   1  -1.753   6.291  -2.545
  123   1HD   PRO  17          1HD       PRO   1   0.698   5.291  -3.279
  124   2HD   PRO  17          2HD       PRO   1   0.273   6.962  -3.705
  125    H    CYS  18           H        CYS   1   1.516   4.908  -0.646
  126    HA   CYS  18           HA       CYS   1   1.010   4.697   2.272
  127   1HB   CYS  18          1HB       CYS   1   0.878   2.790   0.396
  128   2HB   CYS  18          2HB       CYS   1   2.577   2.528   0.838
  129    H    LYS  19           H        LYS   1   3.763   5.252   0.215
  130    HA   LYS  19           HA       LYS   1   5.697   4.826   2.454
  131   1HB   LYS  19          1HB       LYS   1   6.310   4.337   0.072
  132   2HB   LYS  19          2HB       LYS   1   5.988   6.007  -0.382
  133   1HG   LYS  19          1HG       LYS   1   8.393   5.652  -0.215
  134   2HG   LYS  19          2HG       LYS   1   7.912   6.801   1.026
  135   1HD   LYS  19          1HD       LYS   1   7.979   4.972   2.758
  136   2HD   LYS  19          2HD       LYS   1   8.293   3.774   1.494
  137   1HE   LYS  19          1HE       LYS   1  10.421   4.348   2.573
  138   2HE   LYS  19          2HE       LYS   1  10.451   4.962   0.911
  139   1HZ   LYS  19          1HZ       LYS   1  11.223   6.620   2.453
  140   2HZ   LYS  19          2HZ       LYS   1   9.842   7.141   1.750
  141    H    ASP  20           H        ASP   2   3.711   7.329   1.236
  142    HA   ASP  20           HA       ASP   2   5.325   9.484   2.557
  143   1HB   ASP  20          1HB       ASP   2   2.618   9.651   1.111
  144   2HB   ASP  20          2HB       ASP   2   3.545  11.044   1.694
  145    HD2  ASP  20           HD2      ASP   2   2.830  10.838  -0.746
  146    H    ALA  21           H        ALA   2   2.875   7.490   2.926
  147    HA   ALA  21           HA       ALA   2   1.434   8.796   5.193
  148   1HB   ALA  21          2HB       ALA   2   1.554   5.768   4.537
  149   2HB   ALA  21          1HB       ALA   2   0.415   6.529   5.675
  150   3HB   ALA  21          3HB       ALA   2   0.316   6.901   3.937
  151    H    GLY  22           H        GLY   2   3.847   6.252   4.891
  152   1HA   GLY  22          1HA       GLY   2   5.793   6.936   6.706
  153   2HA   GLY  22          2HA       GLY   2   4.521   6.507   7.858
  154    H    MET  23           H        MET   2   4.216   4.639   5.081
  155    HA   MET  23           HA       MET   2   5.240   2.256   6.656
  156   1HB   MET  23          1HB       MET   2   3.645   2.395   4.030
  157   2HB   MET  23          2HB       MET   2   4.087   0.947   4.874
  158   1HG   MET  23          1HG       MET   2   3.006   2.161   7.025
  159   2HG   MET  23          2HG       MET   2   2.206   3.180   5.813
  160   1HE   MET  23          1HE       MET   2   2.791  -0.042   7.519
  161   2HE   MET  23          2HE       MET   2   1.672  -1.280   6.827
  162   3HE   MET  23          3HE       MET   2   3.165  -0.809   5.963
  163    H    ARG  24           H        ARG   2   6.048   0.479   4.998
  164    HA   ARG  24           HA       ARG   2   8.670   1.703   3.983
  165   1HB   ARG  24          1HB       ARG   2   7.995  -1.218   4.545
  166   2HB   ARG  24          2HB       ARG   2   9.558  -0.598   3.957
  167   1HG   ARG  24          1HG       ARG   2   9.704   0.876   5.978
  168   2HG   ARG  24          2HG       ARG   2   8.263   0.069   6.638
  169   1HD   ARG  24          1HD       ARG   2   9.391  -2.151   6.464
  170   2HD   ARG  24          2HD       ARG   2  10.798  -1.394   5.682
  171   1HH1  ARG  24          2HH2      ARG   2  11.210  -3.127   6.795
  172   2HH1  ARG  24          1HH2      ARG   2  12.280  -3.604   8.207
  173   1HH2  ARG  24          1HH1      ARG   2  11.671  -0.651   9.901
  174   2HH2  ARG  24          2HH1      ARG   2  12.528  -2.274   9.876
  175    H    PHE  25           H        PHE   2   8.212  -1.056   2.660
  176    HA   PHE  25           HA       PHE   2   7.765   0.158  -0.034
  177   1HB   PHE  25          1HB       PHE   2   7.564  -2.842   0.282
  178   2HB   PHE  25          2HB       PHE   2   8.261  -1.916  -1.040
  179    HD1  PHE  25           HD1      PHE   2  10.326  -0.454  -0.398
  180    HD2  PHE  25           HD2      PHE   2   8.997  -3.708   1.887
  181    HE1  PHE  25           HE1      PHE   2  12.521  -0.647   0.606
  182    HE2  PHE  25           HE2      PHE   2  11.190  -3.900   2.890
  183    HZ   PHE  25           HZ       PHE   2  12.952  -2.370   2.250
  184    H    GLY  26           H        GLY   2   6.305  -0.790  -1.574
  185   1HA   GLY  26          2HA       GLY   2   3.462  -0.968  -0.364
  186   2HA   GLY  26          1HA       GLY   2   3.816  -0.122  -1.849
  187    H    LYS  27           H        LYS   2   2.030  -2.267  -1.287
  188    HA   LYS  27           HA       LYS   2   2.654  -3.866  -3.722
  189   1HB   LYS  27          1HB       LYS   2   4.060  -4.995  -1.932
  190   2HB   LYS  27          2HB       LYS   2   2.597  -5.291  -0.984
  191   1HG   LYS  27          1HG       LYS   2   1.655  -6.693  -2.854
  192   2HG   LYS  27          2HG       LYS   2   3.059  -6.307  -3.862
  193   1HD   LYS  27          1HD       LYS   2   4.576  -7.378  -2.153
  194   2HD   LYS  27          2HD       LYS   2   3.171  -7.757  -1.143
  195   1HE   LYS  27          1HE       LYS   2   2.190  -9.137  -3.021
  196   2HE   LYS  27          2HE       LYS   2   3.598  -8.756  -4.034
  197   1HZ   LYS  27          1HZ       LYS   2   3.886 -10.857  -2.926
  198   2HZ   LYS  27          2HZ       LYS   2   5.017  -9.805  -2.392
  199    H    CYS  28           H        CYS   2   0.729  -3.866  -4.651
  200    HA   CYS  28           HA       CYS   2  -1.696  -3.573  -2.954
  201   1HB   CYS  28          1HB       CYS   2  -1.531  -2.497  -5.228
  202   2HB   CYS  28          2HB       CYS   2  -1.738  -4.109  -5.962
  203    H    MET  29           H        MET   2  -3.240  -4.969  -2.571
  204    HA   MET  29           HA       MET   2  -3.044  -7.790  -3.626
  205   1HB   MET  29          1HB       MET   2  -1.508  -7.621  -1.576
  206   2HB   MET  29          2HB       MET   2  -2.923  -7.190  -0.607
  207   1HG   MET  29          1HG       MET   2  -4.029  -9.378  -1.269
  208   2HG   MET  29          2HG       MET   2  -2.596  -9.808  -2.224
  209   1HE   MET  29          1HE       MET   2  -0.410 -10.579  -1.391
  210   2HE   MET  29          2HE       MET   2  -0.013  -9.018  -0.607
  211   3HE   MET  29          3HE       MET   2   0.170 -10.546   0.302
  212    H    ASN  30           H        ASN   3  -4.947  -8.479  -3.986
  213    HA   ASN  30           HA       ASN   3  -7.320  -8.565  -4.137
  214   1HB   ASN  30          1HB       ASN   3  -7.144  -7.745  -1.176
  215   2HB   ASN  30          2HB       ASN   3  -8.537  -8.498  -1.961
  216   1HD2  ASN  30          2HD2      ASN   3  -6.638 -11.686  -2.367
  217   2HD2  ASN  30          1HD2      ASN   3  -7.516 -10.487  -3.443
  218    H    ARG  31           H        ARG   3  -6.290  -6.197  -5.015
  219    HA   ARG  31           HA       ARG   3  -6.939  -4.020  -5.608
  220   1HB   ARG  31          1HB       ARG   3  -9.108  -5.403  -6.054
  221   2HB   ARG  31          2HB       ARG   3  -9.722  -4.723  -4.552
  222   1HG   ARG  31          1HG       ARG   3 -10.573  -3.319  -6.278
  223   2HG   ARG  31          2HG       ARG   3  -9.291  -2.373  -5.536
  224   1HD   ARG  31          1HD       ARG   3  -9.187  -2.136  -7.941
  225   2HD   ARG  31          2HD       ARG   3  -7.739  -2.960  -7.438
  226   1HH1  ARG  31          1HH1      ARG   3  -6.998  -4.787  -7.519
  227   2HH1  ARG  31          2HH1      ARG   3  -6.871  -6.348  -8.475
  228   1HH2  ARG  31          1HH2      ARG   3  -9.919  -5.900 -10.013
  229   2HH2  ARG  31          2HH2      ARG   3  -8.420  -6.938  -9.798
  230    H    LYS  32           H        LYS   3  -5.789  -4.435  -3.026
  231    HA   LYS  32           HA       LYS   3  -6.640  -1.720  -1.939
  232   1HB   LYS  32          1HB       LYS   3  -7.968  -3.662  -0.893
  233   2HB   LYS  32          2HB       LYS   3  -6.442  -4.347  -0.326
  234   1HG   LYS  32          1HG       LYS   3  -5.994  -2.256   1.013
  235   2HG   LYS  32          2HG       LYS   3  -7.499  -1.543   0.406
  236   1HD   LYS  32          1HD       LYS   3  -8.801  -3.479   1.390
  237   2HD   LYS  32          2HD       LYS   3  -7.295  -4.165   2.018
  238   1HE   LYS  32          1HE       LYS   3  -6.907  -2.061   3.370
  239   2HE   LYS  32          2HE       LYS   3  -8.427  -1.388   2.749
  240   1HZ   LYS  32          1HZ       LYS   3  -8.150  -3.895   4.320
  241   2HZ   LYS  32          2HZ       LYS   3  -8.707  -2.469   4.893
  242    H    CYS  33           H        CYS   3  -4.743  -0.573  -1.716
  243    HA   CYS  33           HA       CYS   3  -2.211  -1.719  -1.768
  244   1HB   CYS  33          1HB       CYS   3  -3.208   0.713  -0.266
  245   2HB   CYS  33          2HB       CYS   3  -1.523   0.510  -0.764
  246    H    HIS  34           H        HIS   3  -1.349  -2.938  -0.665
  247    HA   HIS  34           HA       HIS   3  -1.682  -3.090   2.403
  248   1HB   HIS  34          1HB       HIS   3  -0.848  -5.261   0.389
  249   2HB   HIS  34          2HB       HIS   3  -0.486  -5.372   2.107
  250    HD2  HIS  34           HD2      HIS   3  -3.976  -3.931   1.173
  251    HE1  HIS  34           HE1      HIS   3  -4.603  -7.848   2.375
  252    HE2  HIS  34           HE2      HIS   3  -5.857  -5.704   1.758
  253    H    CYS  35           H        CYS   3   0.217  -2.613   3.496
  254    HA   CYS  35           HA       CYS   3   2.796  -2.554   1.809
  255   1HB   CYS  35          2HB       CYS   3   2.688  -0.416   3.770
  256   2HB   CYS  35          1HB       CYS   3   3.097  -0.335   2.065
  257    H    THR  36           H        THR   3   4.706  -2.245   3.202
  258    HA   THR  36           HA       THR   3   4.492  -4.506   5.176
  259    HB   THR  36           HB       THR   3   6.859  -3.068   3.950
  260    HG1  THR  36           HG1      THR   3   6.934  -5.045   2.860
  261   1HG2  THR  36          2HG2      THR   3   6.711  -5.559   5.774
  262   2HG2  THR  36          1HG2      THR   3   8.139  -5.090   4.817
  263   3HG2  THR  36          3HG2      THR   3   7.584  -4.044   6.141
  264    HA   PRO  37           HA       PRO   3   4.981  -0.795   8.078
  265   1HB   PRO  37          1HB       PRO   3   4.207  -1.876  10.502
  266   2HB   PRO  37          2HB       PRO   3   3.030  -1.529   9.210
  267   1HG   PRO  37          1HG       PRO   3   4.392  -4.212   9.781
  268   2HG   PRO  37          2HG       PRO   3   2.637  -3.892   9.661
  269   1HD   PRO  37          1HD       PRO   3   4.039  -4.808   7.480
  270   2HD   PRO  37          2HD       PRO   3   2.783  -3.547   7.257
  271    H    LYS  38           H        LYS   3   6.130  -0.423  10.166
  272    HA   LYS  38           HA       LYS   3   8.865  -1.451   9.885
  273   1HB   LYS  38          1HB       LYS   3   8.186   0.807  10.829
  274   2HB   LYS  38          2HB       LYS   3   7.555   0.005  12.269
  275   1HG   LYS  38          1HG       LYS   3   9.845  -0.910  12.769
  276   2HG   LYS  38          2HG       LYS   3  10.487  -0.157  11.310
  277   1HD   LYS  38          1HD       LYS   3   9.132   1.485  13.544
  278   2HD   LYS  38          2HD       LYS   3  10.828   1.014  13.595
  279   1HE   LYS  38          1HE       LYS   3  11.041   3.106  12.641
  280   2HE   LYS  38          2HE       LYS   3  11.025   2.098  11.190
  281   1HZ   LYS  38          1HZ       LYS   3   9.559   4.013  11.026
  282   2HZ   LYS  38          2HZ       LYS   3   8.710   3.566  12.349
  283    HXT  LYS  38           HO       OH    3   7.119  -3.234  13.115
   
  No H/Q in entry =         283
  Start of MODEL    2
    1   1H    GLY   1          1H        GLY   1   0.230  -5.075   6.279
    2   2H    GLY   1          2H        GLY   1  -1.163  -5.808   5.835
    3   1HA   GLY   1          1HA       GLY   1  -1.280  -7.021   7.945
    4   2HA   GLY   1          2HA       GLY   1   0.233  -6.225   8.427
    5    H    VAL   2           H        VAL   2  -0.703  -3.861   6.760
    6    HA   VAL   2           HA       VAL   2  -2.935  -2.781   8.526
    7    HB   VAL   2           HB       VAL   2  -1.590  -0.597   8.710
    8   1HG1  VAL   2          1HG2      VAL   2  -2.060  -2.081  10.667
    9   2HG1  VAL   2          2HG2      VAL   2  -0.602  -3.042  10.301
   10   3HG1  VAL   2          3HG2      VAL   2  -0.443  -1.338  10.803
   11   1HG2  VAL   2          2HG1      VAL   2   0.285  -1.337   7.098
   12   2HG2  VAL   2          3HG1      VAL   2   0.837  -0.680   8.660
   13   3HG2  VAL   2          1HG1      VAL   2   0.875  -2.432   8.384
   14    H    GLU   3           H        GLU   3  -3.883  -3.342   6.507
   15    HA   GLU   3           HA       GLU   3  -3.136  -1.714   4.155
   16   1HB   GLU   3          1HB       GLU   3  -5.156  -2.648   3.082
   17   2HB   GLU   3          2HB       GLU   3  -4.195  -3.909   3.853
   18   1HG   GLU   3          1HG       GLU   3  -5.794  -3.916   5.835
   19   2HG   GLU   3          2HG       GLU   3  -6.759  -2.656   5.049
   20    HE2  GLU   3           HE2      GLU   3  -7.620  -6.312   4.358
   21    H    ILE   4           H        ILE   4  -3.943   0.099   3.389
   22    HA   ILE   4           HA       ILE   4  -5.563   1.731   5.360
   23    HB   ILE   4           HB       ILE   4  -5.150   3.621   3.781
   24   1HG1  ILE   4          1HG1      ILE   4  -3.206   1.718   2.341
   25   2HG1  ILE   4          2HG1      ILE   4  -4.803   2.116   1.693
   26   1HG2  ILE   4          1HG2      ILE   4  -3.714   3.012   5.777
   27   2HG2  ILE   4          2HG2      ILE   4  -2.643   2.080   4.701
   28   3HG2  ILE   4          3HG2      ILE   4  -2.786   3.849   4.514
   29   1HD1  ILE   4          2HD1      ILE   4  -4.188   4.591   1.773
   30   2HD1  ILE   4          1HD1      ILE   4  -2.542   4.130   2.281
   31   3HD1  ILE   4          3HD1      ILE   4  -3.151   3.629   0.686
   32    H    ASN   5           H        ASN   5  -7.253   3.151   4.258
   33    HA   ASN   5           HA       ASN   5  -9.155   1.230   2.885
   34   1HB   ASN   5          1HB       ASN   5 -10.886   2.912   3.423
   35   2HB   ASN   5          2HB       ASN   5  -9.997   2.366   4.845
   36   1HD2  ASN   5          1HD2      ASN   5 -10.159   6.293   4.020
   37   2HD2  ASN   5          2HD2      ASN   5 -11.120   4.991   3.153
   38    H    VAL   6           H        VAL   6  -7.380   1.673   1.072
   39    HA   VAL   6           HA       VAL   6  -8.816   3.488  -0.921
   40    HB   VAL   6           HB       VAL   6  -5.773   3.322  -0.851
   41   1HG1  VAL   6          3HG1      VAL   6  -6.794   3.936  -3.040
   42   2HG1  VAL   6          1HG1      VAL   6  -7.710   5.254  -2.261
   43   3HG1  VAL   6          2HG1      VAL   6  -5.933   5.334  -2.354
   44   1HG2  VAL   6          1HG2      VAL   6  -6.396   4.629   1.215
   45   2HG2  VAL   6          3HG2      VAL   6  -5.639   5.680  -0.012
   46   3HG2  VAL   6          2HG2      VAL   6  -7.407   5.713   0.222
   47    H    LYS   7           H        LYS   7  -9.016   2.498  -2.735
   48    HA   LYS   7           HA       LYS   7  -7.912  -0.323  -2.939
   49   1HB   LYS   7          1HB       LYS   7  -9.449  -0.645  -4.830
   50   2HB   LYS   7          2HB       LYS   7 -10.307  -0.106  -3.388
   51   1HG   LYS   7          1HG       LYS   7 -10.401   2.249  -4.311
   52   2HG   LYS   7          2HG       LYS   7  -9.524   1.717  -5.755
   53   1HD   LYS   7          1HD       LYS   7 -11.344   0.049  -6.245
   54   2HD   LYS   7          2HD       LYS   7 -12.220   0.580  -4.800
   55   1HE   LYS   7          1HE       LYS   7 -12.342   2.926  -5.734
   56   2HE   LYS   7          2HE       LYS   7 -11.464   2.394  -7.182
   57   1HZ   LYS   7          1HZ       LYS   7 -13.248   0.785  -7.586
   58   2HZ   LYS   7          2HZ       LYS   7 -14.057   1.275  -6.253
   59    H    CYS   8           H        CYS   8  -6.388  -0.890  -4.335
   60    HA   CYS   8           HA       CYS   8  -5.086   1.377  -5.962
   61   1HB   CYS   8          1HB       CYS   8  -3.056   0.225  -5.836
   62   2HB   CYS   8          2HB       CYS   8  -3.746  -0.136  -4.249
   63    H    SER   9           H        SER   9  -3.972   0.736  -7.700
   64    HA   SER   9           HA       SER   9  -5.646  -1.049  -9.570
   65   1HB   SER   9          1HB       SER   9  -5.274   1.361 -10.313
   66   2HB   SER   9          2HB       SER   9  -3.526   1.041 -10.336
   67    HG   SER   9           HG       SER   9  -3.941  -0.664 -11.799
   68    H    GLY  10           H        GLY   1  -2.663  -0.445  -7.968
   69   1HA   GLY  10          1HA       GLY   1  -1.690  -3.186  -8.320
   70   2HA   GLY  10          2HA       GLY   1  -0.906  -2.121  -9.529
   71    H    SER  11           H        SER   1   0.726  -3.279  -7.899
   72    HA   SER  11           HA       SER   1   1.211  -1.802  -5.450
   73   1HB   SER  11          1HB       SER   1   3.387  -2.862  -5.316
   74   2HB   SER  11          2HB       SER   1   2.105  -4.002  -5.728
   75    HG   SER  11           HG       SER   1   2.734  -3.809  -7.921
   76    HA   PRO  12           HA       PRO   1   4.206   1.230  -7.322
   77   1HB   PRO  12          1HB       PRO   1   2.919   1.839 -10.031
   78   2HB   PRO  12          2HB       PRO   1   4.620   2.106  -9.544
   79   1HG   PRO  12          1HG       PRO   1   4.053  -0.115 -10.971
   80   2HG   PRO  12          2HG       PRO   1   5.048  -0.302  -9.496
   81   1HD   PRO  12          1HD       PRO   1   2.052  -0.836  -9.814
   82   2HD   PRO  12          2HD       PRO   1   3.283  -1.833  -8.999
   83    H    GLN  13           H        GLN   1   0.765   1.267  -8.043
   84    HA   GLN  13           HA       GLN   1   0.552   4.216  -7.591
   85   1HB   GLN  13          1HB       GLN   1  -1.624   2.032  -7.405
   86   2HB   GLN  13          2HB       GLN   1  -1.941   3.767  -7.301
   87   1HG   GLN  13          1HG       GLN   1  -0.684   2.353  -9.740
   88   2HG   GLN  13          2HG       GLN   1  -2.380   2.833  -9.589
   89   1HE2  GLN  13          1HE2      GLN   1  -1.778   6.332 -10.037
   90   2HE2  GLN  13          2HE2      GLN   1  -2.858   5.089  -9.228
   91    H    CYS  14           H        CYS   1  -0.087   1.273  -5.761
   92    HA   CYS  14           HA       CYS   1  -0.949   2.143  -3.197
   93   1HB   CYS  14          2HB       CYS   1  -0.695  -0.143  -4.000
   94   2HB   CYS  14          1HB       CYS   1   1.043  -0.041  -4.035
   95    H    LEU  15           H        LEU   1   2.295   1.741  -4.335
   96    HA   LEU  15           HA       LEU   1   3.893   2.250  -2.047
   97   1HB   LEU  15          1HB       LEU   1   4.669   1.353  -4.220
   98   2HB   LEU  15          2HB       LEU   1   4.353   2.885  -5.014
   99    HG   LEU  15           HG       LEU   1   6.168   3.985  -3.636
  100   1HD1  LEU  15          1HD1      LEU   1   6.667   1.104  -2.631
  101   2HD1  LEU  15          3HD1      LEU   1   7.745   2.499  -2.363
  102   3HD1  LEU  15          2HD1      LEU   1   6.127   2.469  -1.616
  103   1HD2  LEU  15          1HD2      LEU   1   6.616   3.004  -5.888
  104   2HD2  LEU  15          2HD2      LEU   1   8.030   2.825  -4.815
  105   3HD2  LEU  15          3HD2      LEU   1   6.974   1.425  -5.139
  106    H    LYS  16           H        LYS   1   3.084   4.506  -4.495
  107    HA   LYS  16           HA       LYS   1   4.412   6.808  -3.364
  108   1HB   LYS  16          1HB       LYS   1   2.463   6.483  -5.564
  109   2HB   LYS  16          2HB       LYS   1   2.421   8.051  -4.764
  110   1HG   LYS  16          1HG       LYS   1   4.003   8.285  -6.521
  111   2HG   LYS  16          2HG       LYS   1   4.941   8.253  -5.028
  112   1HD   LYS  16          1HD       LYS   1   5.415   5.780  -5.416
  113   2HD   LYS  16          2HD       LYS   1   4.532   5.866  -6.945
  114   1HE   LYS  16          1HE       LYS   1   7.006   7.578  -6.245
  115   2HE   LYS  16          2HE       LYS   1   7.049   6.087  -7.202
  116   1HZ   LYS  16          1HZ       LYS   1   5.488   8.511  -7.912
  117   2HZ   LYS  16          2HZ       LYS   1   5.532   7.131  -8.788
  118    HA   PRO  17           HA       PRO   1   1.117   8.551  -0.741
  119   1HB   PRO  17          1HB       PRO   1  -1.177   6.607  -0.495
  120   2HB   PRO  17          2HB       PRO   1  -1.251   8.381  -0.667
  121   1HG   PRO  17          1HG       PRO   1  -1.889   6.826  -2.800
  122   2HG   PRO  17          2HG       PRO   1  -0.825   8.241  -3.057
  123   1HD   PRO  17          1HD       PRO   1   0.025   5.325  -2.661
  124   2HD   PRO  17          2HD       PRO   1   0.503   6.448  -3.961
  125    H    CYS  18           H        CYS   1   1.410   5.036  -0.601
  126    HA   CYS  18           HA       CYS   1   1.065   5.020   2.323
  127   1HB   CYS  18          1HB       CYS   1   0.968   2.980   0.601
  128   2HB   CYS  18          2HB       CYS   1   2.671   2.788   1.087
  129    H    LYS  19           H        LYS   1   3.792   5.721   0.280
  130    HA   LYS  19           HA       LYS   1   5.736   5.271   2.537
  131   1HB   LYS  19          1HB       LYS   1   6.336   4.980   0.082
  132   2HB   LYS  19          2HB       LYS   1   6.117   6.718  -0.163
  133   1HG   LYS  19          1HG       LYS   1   7.937   7.197   1.509
  134   2HG   LYS  19          2HG       LYS   1   8.087   5.465   1.851
  135   1HD   LYS  19          1HD       LYS   1   8.734   5.042  -0.546
  136   2HD   LYS  19          2HD       LYS   1   8.486   6.752  -0.924
  137   1HE   LYS  19          1HE       LYS   1  10.888   6.376  -0.599
  138   2HE   LYS  19          2HE       LYS   1  10.295   7.379   0.738
  139   1HZ   LYS  19          1HZ       LYS   1  10.158   5.396   2.107
  140   2HZ   LYS  19          2HZ       LYS   1  11.679   5.603   1.545
  141    H    ASP  20           H        ASP   2   3.698   7.759   1.290
  142    HA   ASP  20           HA       ASP   2   5.117   9.876   2.876
  143   1HB   ASP  20          1HB       ASP   2   2.574  10.076   1.165
  144   2HB   ASP  20          2HB       ASP   2   3.429  11.449   1.888
  145    HD1  ASP  20           HD2      ASP   2   5.918  10.622   1.576
  146    H    ALA  21           H        ALA   2   2.750   7.767   3.027
  147    HA   ALA  21           HA       ALA   2   1.273   9.076   5.306
  148   1HB   ALA  21          1HB       ALA   2  -0.055   7.692   3.683
  149   2HB   ALA  21          2HB       ALA   2   0.822   6.235   4.223
  150   3HB   ALA  21          3HB       ALA   2  -0.244   7.105   5.357
  151    H    GLY  22           H        GLY   2   4.137   7.710   5.445
  152   1HA   GLY  22          1HA       GLY   2   5.265   7.092   7.515
  153   2HA   GLY  22          2HA       GLY   2   3.704   7.073   8.347
  154    H    MET  23           H        MET   2   4.784   5.409   5.425
  155    HA   MET  23           HA       MET   2   4.912   2.786   6.999
  156   1HB   MET  23          1HB       MET   2   2.759   3.664   5.238
  157   2HB   MET  23          2HB       MET   2   3.583   2.291   4.476
  158   1HG   MET  23          1HG       MET   2   2.593   2.372   7.388
  159   2HG   MET  23          2HG       MET   2   1.743   1.551   6.058
  160   1HE   MET  23          2HE       MET   2   3.034   0.768   8.894
  161   2HE   MET  23          1HE       MET   2   3.073  -0.958   8.434
  162   3HE   MET  23          3HE       MET   2   4.591  -0.108   8.805
  163    H    ARG  24           H        ARG   2   5.664   0.938   5.443
  164    HA   ARG  24           HA       ARG   2   8.234   2.067   4.337
  165   1HB   ARG  24          1HB       ARG   2   7.963   0.146   6.022
  166   2HB   ARG  24          2HB       ARG   2   7.505  -0.874   4.678
  167   1HG   ARG  24          1HG       ARG   2   9.716  -0.221   3.535
  168   2HG   ARG  24          2HG       ARG   2  10.112   0.784   4.938
  169   1HD   ARG  24          1HD       ARG   2   9.978  -1.239   6.432
  170   2HD   ARG  24          2HD       ARG   2   9.569  -2.250   5.025
  171   1HH1  ARG  24          1HH1      ARG   2  10.653  -3.220   6.534
  172   2HH1  ARG  24          2HH1      ARG   2  12.245  -4.113   6.714
  173   1HH2  ARG  24          1HH2      ARG   2  13.921  -1.904   4.641
  174   2HH2  ARG  24          2HH2      ARG   2  14.005  -3.404   5.695
  175    H    PHE  25           H        PHE   2   7.580  -0.571   2.846
  176    HA   PHE  25           HA       PHE   2   7.008   0.936   0.273
  177   1HB   PHE  25          1HB       PHE   2   7.018  -2.072   0.230
  178   2HB   PHE  25          2HB       PHE   2   7.638  -0.945  -0.966
  179    HD1  PHE  25           HD1      PHE   2   9.682   0.470  -0.223
  180    HD2  PHE  25           HD2      PHE   2   8.513  -3.064   1.706
  181    HE1  PHE  25           HE1      PHE   2  11.913   0.228   0.685
  182    HE2  PHE  25           HE2      PHE   2  10.743  -3.305   2.613
  183    HZ   PHE  25           HZ       PHE   2  12.443  -1.660   2.103
  184    H    GLY  26           H        GLY   2   5.440   0.107  -1.190
  185   1HA   GLY  26          1HA       GLY   2   2.786  -0.442   0.295
  186   2HA   GLY  26          2HA       GLY   2   2.872   0.472  -1.171
  187    H    LYS  27           H        LYS   2   2.454  -2.543   0.133
  188    HA   LYS  27           HA       LYS   2   3.158  -3.958  -2.530
  189   1HB   LYS  27          1HB       LYS   2   4.182  -4.962  -0.468
  190   2HB   LYS  27          2HB       LYS   2   2.562  -5.256   0.176
  191   1HG   LYS  27          1HG       LYS   2   2.000  -6.680  -1.811
  192   2HG   LYS  27          2HG       LYS   2   3.540  -6.256  -2.565
  193   1HD   LYS  27          1HD       LYS   2   3.815  -8.448  -1.603
  194   2HD   LYS  27          2HD       LYS   2   4.768  -7.336  -0.615
  195   1HE   LYS  27          1HE       LYS   2   2.933  -7.283   1.114
  196   2HE   LYS  27          2HE       LYS   2   1.915  -8.302   0.077
  197   1HZ   LYS  27          1HZ       LYS   2   4.582  -9.071   1.137
  198   2HZ   LYS  27          2HZ       LYS   2   3.643 -10.013   0.186
  199    H    CYS  28           H        CYS   2   1.378  -3.655  -3.798
  200    HA   CYS  28           HA       CYS   2  -1.276  -3.471  -2.477
  201   1HB   CYS  28          1HB       CYS   2  -0.842  -2.302  -4.656
  202   2HB   CYS  28          2HB       CYS   2  -1.027  -3.882  -5.468
  203    H    MET  29           H        MET   2  -2.765  -4.921  -2.289
  204    HA   MET  29           HA       MET   2  -2.454  -7.657  -3.517
  205   1HB   MET  29          1HB       MET   2  -1.017  -7.704  -1.425
  206   2HB   MET  29          2HB       MET   2  -2.431  -7.276  -0.454
  207   1HG   MET  29          1HG       MET   2  -3.593  -9.395  -1.189
  208   2HG   MET  29          2HG       MET   2  -2.214  -9.792  -2.238
  209   1HE   MET  29          3HE       MET   2  -3.392 -11.729  -0.015
  210   2HE   MET  29          2HE       MET   2  -2.004 -12.135  -1.071
  211   3HE   MET  29          1HE       MET   2  -1.881 -12.370   0.700
  212    H    ASN  30           H        ASN   3  -4.305  -8.441  -3.951
  213    HA   ASN  30           HA       ASN   3  -6.669  -8.616  -4.209
  214   1HB   ASN  30          1HB       ASN   3  -6.618  -7.854  -1.228
  215   2HB   ASN  30          2HB       ASN   3  -7.985  -8.591  -2.081
  216   1HD2  ASN  30          2HD2      ASN   3  -5.887 -11.258  -0.408
  217   2HD2  ASN  30          1HD2      ASN   3  -6.680  -9.693   0.128
  218    H    ARG  31           H        ARG   3  -5.684  -6.331  -5.108
  219    HA   ARG  31           HA       ARG   3  -6.126  -4.126  -5.672
  220   1HB   ARG  31          1HB       ARG   3  -8.277  -3.521  -6.316
  221   2HB   ARG  31          2HB       ARG   3  -8.084  -5.238  -6.632
  222   1HG   ARG  31          1HG       ARG   3  -9.554  -5.777  -4.681
  223   2HG   ARG  31          2HG       ARG   3  -9.649  -4.074  -4.237
  224   1HD   ARG  31          1HD       ARG   3 -11.663  -4.610  -5.455
  225   2HD   ARG  31          2HD       ARG   3 -10.679  -3.554  -6.493
  226   1HH1  ARG  31          2HH2      ARG   3 -12.591  -3.981  -7.229
  227   2HH1  ARG  31          1HH2      ARG   3 -13.347  -4.747  -8.715
  228   1HH2  ARG  31          2HH1      ARG   3 -10.928  -7.216  -8.893
  229   2HH2  ARG  31          1HH1      ARG   3 -12.452  -6.488  -9.611
  230    H    LYS  32           H        LYS   3  -5.404  -4.460  -2.891
  231    HA   LYS  32           HA       LYS   3  -6.296  -1.652  -2.074
  232   1HB   LYS  32          1HB       LYS   3  -6.454  -4.240  -0.411
  233   2HB   LYS  32          2HB       LYS   3  -6.297  -2.654   0.348
  234   1HG   LYS  32          1HG       LYS   3  -8.388  -1.859  -0.781
  235   2HG   LYS  32          2HG       LYS   3  -8.574  -3.436  -1.563
  236   1HD   LYS  32          1HD       LYS   3  -8.687  -4.546   0.702
  237   2HD   LYS  32          2HD       LYS   3  -8.502  -2.968   1.484
  238   1HE   LYS  32          1HE       LYS   3 -10.612  -2.158   0.353
  239   2HE   LYS  32          2HE       LYS   3 -10.797  -3.739  -0.432
  240   1HZ   LYS  32          1HZ       LYS   3 -12.087  -3.628   1.580
  241   2HZ   LYS  32          2HZ       LYS   3 -10.923  -4.764   1.745
  242    H    CYS  33           H        CYS   3  -4.674  -0.523  -1.082
  243    HA   CYS  33           HA       CYS   3  -2.011  -1.614  -1.349
  244   1HB   CYS  33          2HB       CYS   3  -2.906   0.706  -1.488
  245   2HB   CYS  33          1HB       CYS   3  -2.998   0.782   0.291
  246    H    HIS  34           H        HIS   3  -1.079  -2.765  -0.185
  247    HA   HIS  34           HA       HIS   3  -1.706  -3.167   2.805
  248   1HB   HIS  34          1HB       HIS   3  -0.992  -5.382   0.810
  249   2HB   HIS  34          2HB       HIS   3  -0.549  -5.488   2.509
  250    HD2  HIS  34           HD2      HIS   3  -3.801  -4.928   0.377
  251    HE1  HIS  34           HE1      HIS   3  -4.827  -7.131   3.748
  252    HE2  HIS  34           HE2      HIS   3  -5.805  -6.211   1.554
  253    H    CYS  35           H        CYS   3  -0.159  -1.695   3.430
  254    HA   CYS  35           HA       CYS   3   2.500  -1.785   2.070
  255   1HB   CYS  35          2HB       CYS   3   2.106  -0.295   4.663
  256   2HB   CYS  35          1HB       CYS   3   3.085   0.070   3.203
  257    H    THR  36           H        THR   3   4.470  -1.855   3.627
  258    HA   THR  36           HA       THR   3   4.299  -4.685   4.654
  259    HB   THR  36           HB       THR   3   6.717  -2.915   4.112
  260    HG1  THR  36           HG1      THR   3   5.414  -3.449   2.335
  261   1HG2  THR  36          1HG2      THR   3   6.454  -5.943   4.665
  262   2HG2  THR  36          3HG2      THR   3   7.938  -5.127   4.111
  263   3HG2  THR  36          2HG2      THR   3   7.275  -4.760   5.721
  264    HA   PRO  37           HA       PRO   3   4.574  -2.610   8.811
  265   1HB   PRO  37          1HB       PRO   3   5.954  -5.144   9.747
  266   2HB   PRO  37          2HB       PRO   3   4.634  -4.244  10.547
  267   1HG   PRO  37          1HG       PRO   3   4.007  -6.493   9.177
  268   2HG   PRO  37          2HG       PRO   3   3.010  -5.033   8.918
  269   1HD   PRO  37          1HD       PRO   3   5.265  -6.085   7.125
  270   2HD   PRO  37          2HD       PRO   3   3.638  -5.469   6.670
  271    H    LYS  38           H        LYS   3   6.010  -1.058   9.069
  272    HA   LYS  38           HA       LYS   3   8.860  -1.473   8.392
  273   1HB   LYS  38          1HB       LYS   3   7.646   0.739   8.188
  274   2HB   LYS  38          2HB       LYS   3   7.531   0.828   9.951
  275   1HG   LYS  38          1HG       LYS   3  10.039   0.853  10.135
  276   2HG   LYS  38          2HG       LYS   3  10.180   0.565   8.398
  277   1HD   LYS  38          1HD       LYS   3  10.555   2.920   8.752
  278   2HD   LYS  38          2HD       LYS   3   8.983   2.769   7.961
  279   1HE   LYS  38          1HE       LYS   3   7.823   3.063  10.182
  280   2HE   LYS  38          2HE       LYS   3   9.395   3.090  11.007
  281   1HZ   LYS  38          1HZ       LYS   3   9.983   5.050   9.739
  282   2HZ   LYS  38          2HZ       LYS   3   8.607   5.307  10.584
  283    HXT  LYS  38           HO       OH    3  10.467  -1.948  11.376
   
  No H/Q in entry =         283
  Start of MODEL    3
    1   1H    GLY   1          1H        GLY   1  -0.954  -7.786   8.279
    2   2H    GLY   1          2H        GLY   1  -1.339  -6.821   9.541
    3   1HA   GLY   1          1HA       GLY   1   0.291  -5.743   8.130
    4   2HA   GLY   1          2HA       GLY   1  -0.827  -5.907   6.759
    5    H    VAL   2           H        VAL   2  -0.255  -3.540   6.960
    6    HA   VAL   2           HA       VAL   2  -2.479  -2.120   8.542
    7    HB   VAL   2           HB       VAL   2   0.385  -1.122   8.051
    8   1HG1  VAL   2          1HG2      VAL   2  -2.039   0.178   9.455
    9   2HG1  VAL   2          2HG2      VAL   2  -0.370   0.797   9.539
   10   3HG1  VAL   2          3HG2      VAL   2  -1.227   0.781   7.982
   11   1HG2  VAL   2          2HG1      VAL   2  -1.089  -1.902  10.652
   12   2HG2  VAL   2          1HG1      VAL   2   0.290  -2.782   9.943
   13   3HG2  VAL   2          3HG1      VAL   2   0.517  -1.135  10.575
   14    H    GLU   3           H        GLU   3  -3.637  -2.539   6.685
   15    HA   GLU   3           HA       GLU   3  -2.725  -1.250   4.136
   16   1HB   GLU   3          1HB       GLU   3  -4.813  -2.096   3.166
   17   2HB   GLU   3          2HB       GLU   3  -3.966  -3.349   4.055
   18   1HG   GLU   3          1HG       GLU   3  -6.096  -3.802   4.727
   19   2HG   GLU   3          2HG       GLU   3  -5.659  -2.749   6.063
   20    HE2  GLU   3           HE2      GLU   3  -7.867  -0.252   5.244
   21    H    ILE   4           H        ILE   4  -4.669   0.015   3.045
   22    HA   ILE   4           HA       ILE   4  -5.863   1.998   5.040
   23    HB   ILE   4           HB       ILE   4  -5.274   3.840   3.370
   24   1HG1  ILE   4          1HG1      ILE   4  -3.038   1.916   2.487
   25   2HG1  ILE   4          2HG1      ILE   4  -4.515   2.195   1.553
   26   1HG2  ILE   4          2HG2      ILE   4  -4.226   3.541   5.646
   27   2HG2  ILE   4          3HG2      ILE   4  -2.923   2.577   4.905
   28   3HG2  ILE   4          1HG2      ILE   4  -3.110   4.304   4.492
   29   1HD1  ILE   4          1HD1      ILE   4  -3.970   4.688   1.487
   30   2HD1  ILE   4          2HD1      ILE   4  -2.435   4.349   2.330
   31   3HD1  ILE   4          3HD1      ILE   4  -2.722   3.678   0.710
   32    H    ASN   5           H        ASN   5  -7.560   3.240   4.044
   33    HA   ASN   5           HA       ASN   5  -9.151   1.392   2.310
   34   1HB   ASN   5          1HB       ASN   5 -10.972   3.119   2.656
   35   2HB   ASN   5          2HB       ASN   5 -10.307   2.417   4.135
   36   1HD2  ASN   5          2HD2      ASN   5 -10.126   5.759   5.277
   37   2HD2  ASN   5          1HD2      ASN   5 -11.001   4.147   5.318
   38    H    VAL   6           H        VAL   6  -7.510   1.710   0.547
   39    HA   VAL   6           HA       VAL   6  -8.708   3.700  -1.418
   40    HB   VAL   6           HB       VAL   6  -5.692   3.255  -1.326
   41   1HG1  VAL   6          2HG1      VAL   6  -7.451   5.343  -2.745
   42   2HG1  VAL   6          3HG1      VAL   6  -5.673   5.278  -2.827
   43   3HG1  VAL   6          1HG1      VAL   6  -6.640   3.956  -3.519
   44   1HG2  VAL   6          3HG2      VAL   6  -6.209   4.601   0.742
   45   2HG2  VAL   6          1HG2      VAL   6  -5.352   5.586  -0.474
   46   3HG2  VAL   6          2HG2      VAL   6  -7.113   5.776  -0.251
   47    H    LYS   7           H        LYS   7  -8.957   2.714  -3.274
   48    HA   LYS   7           HA       LYS   7  -8.216  -0.230  -3.372
   49   1HB   LYS   7          1HB       LYS   7  -9.738   1.535  -5.397
   50   2HB   LYS   7          2HB       LYS   7  -9.435  -0.195  -5.600
   51   1HG   LYS   7          1HG       LYS   7 -10.669  -0.656  -3.433
   52   2HG   LYS   7          2HG       LYS   7 -11.037   1.071  -3.286
   53   1HD   LYS   7          1HD       LYS   7 -12.208   1.014  -5.519
   54   2HD   LYS   7          2HD       LYS   7 -11.845  -0.713  -5.666
   55   1HE   LYS   7          1HE       LYS   7 -13.130  -1.165  -3.536
   56   2HE   LYS   7          2HE       LYS   7 -13.494   0.566  -3.389
   57   1HZ   LYS   7          1HZ       LYS   7 -14.584   0.448  -5.564
   58   2HZ   LYS   7          2HZ       LYS   7 -14.248  -1.146  -5.699
   59    H    CYS   8           H        CYS   8  -6.269  -0.767  -4.175
   60    HA   CYS   8           HA       CYS   8  -4.661   1.391  -5.414
   61   1HB   CYS   8          1HB       CYS   8  -2.816  -0.028  -5.482
   62   2HB   CYS   8          2HB       CYS   8  -3.697  -0.648  -4.088
   63    H    SER   9           H        SER   9  -3.436   0.855  -7.289
   64    HA   SER   9           HA       SER   9  -5.082  -0.444  -9.537
   65   1HB   SER   9          1HB       SER   9  -5.404   2.089  -9.165
   66   2HB   SER   9          2HB       SER   9  -3.736   2.331  -9.696
   67    HG   SER   9           HG       SER   9  -5.223   2.482 -11.423
   68    H    GLY  10           H        GLY   1  -2.759  -0.697  -7.775
   69   1HA   GLY  10          2HA       GLY   1  -0.908  -2.207  -9.319
   70   2HA   GLY  10          1HA       GLY   1  -0.419  -0.569  -9.660
   71    H    SER  11           H        SER   1   0.936  -2.764  -8.481
   72    HA   SER  11           HA       SER   1   1.207  -2.193  -5.585
   73   1HB   SER  11          1HB       SER   1   3.252  -3.626  -5.618
   74   2HB   SER  11          2HB       SER   1   1.730  -4.374  -6.094
   75    HG   SER  11           HG       SER   1   2.308  -4.059  -8.281
   76    HA   PRO  12           HA       PRO   1   4.608   0.788  -6.781
   77   1HB   PRO  12          1HB       PRO   1   3.799   1.476  -9.666
   78   2HB   PRO  12          2HB       PRO   1   5.364   1.836  -8.872
   79   1HG   PRO  12          1HG       PRO   1   5.147  -0.426 -10.361
   80   2HG   PRO  12          2HG       PRO   1   5.941  -0.513  -8.762
   81   1HD   PRO  12          1HD       PRO   1   3.192  -1.496  -9.528
   82   2HD   PRO  12          2HD       PRO   1   4.324  -2.071  -8.271
   83    H    GLN  13           H        GLN   1   1.243   0.994  -7.804
   84    HA   GLN  13           HA       GLN   1   1.102   3.973  -7.200
   85   1HB   GLN  13          1HB       GLN   1  -1.050   1.953  -8.055
   86   2HB   GLN  13          2HB       GLN   1  -1.342   3.671  -7.746
   87   1HG   GLN  13          1HG       GLN   1   0.429   4.257  -9.486
   88   2HG   GLN  13          2HG       GLN   1   0.583   2.537  -9.879
   89   1HE2  GLN  13          2HE2      GLN   1  -2.129   2.635 -12.085
   90   2HE2  GLN  13          1HE2      GLN   1  -0.537   1.916 -11.524
   91    H    CYS  14           H        CYS   1   1.187   1.136  -5.527
   92    HA   CYS  14           HA       CYS   1  -0.760   1.849  -3.272
   93   1HB   CYS  14          2HB       CYS   1  -0.518  -0.524  -4.054
   94   2HB   CYS  14          1HB       CYS   1   1.207  -0.486  -3.763
   95    H    LEU  15           H        LEU   1   2.458   1.467  -4.299
   96    HA   LEU  15           HA       LEU   1   3.853   2.167  -1.917
   97   1HB   LEU  15          1HB       LEU   1   4.857   1.005  -3.866
   98   2HB   LEU  15          2HB       LEU   1   4.683   2.445  -4.858
   99    HG   LEU  15           HG       LEU   1   6.377   3.662  -3.464
  100   1HD1  LEU  15          2HD2      LEU   1   6.610   0.966  -1.974
  101   2HD1  LEU  15          1HD2      LEU   1   7.739   2.336  -1.812
  102   3HD1  LEU  15          3HD2      LEU   1   6.056   2.503  -1.255
  103   1HD2  LEU  15          2HD1      LEU   1   7.047   2.336  -5.471
  104   2HD2  LEU  15          3HD1      LEU   1   8.316   2.294  -4.217
  105   3HD2  LEU  15          1HD1      LEU   1   7.249   0.883  -4.455
  106    H    LYS  16           H        LYS   1   2.222   4.254  -4.065
  107    HA   LYS  16           HA       LYS   1   3.826   6.650  -3.257
  108   1HB   LYS  16          1HB       LYS   1   1.196   6.544  -4.814
  109   2HB   LYS  16          2HB       LYS   1   2.140   8.004  -4.486
  110   1HG   LYS  16          1HG       LYS   1   4.135   6.964  -5.657
  111   2HG   LYS  16          2HG       LYS   1   3.153   5.542  -6.047
  112   1HD   LYS  16          1HD       LYS   1   1.510   7.011  -7.275
  113   2HD   LYS  16          2HD       LYS   1   2.495   8.432  -6.892
  114   1HE   LYS  16          1HE       LYS   1   4.456   7.404  -8.114
  115   2HE   LYS  16          2HE       LYS   1   3.469   5.980  -8.497
  116   1HZ   LYS  16          1HZ       LYS   1   3.477   7.604 -10.288
  117   2HZ   LYS  16          2HZ       LYS   1   2.881   8.775  -9.316
  118    HA   PRO  17           HA       PRO   1   0.511   7.635  -0.155
  119   1HB   PRO  17          1HB       PRO   1  -1.625   6.041   0.584
  120   2HB   PRO  17          2HB       PRO   1  -1.700   7.238  -0.738
  121   1HG   PRO  17          1HG       PRO   1  -1.134   4.239  -0.985
  122   2HG   PRO  17          2HG       PRO   1  -2.352   5.193  -1.883
  123   1HD   PRO  17          1HD       PRO   1   0.075   4.688  -3.019
  124   2HD   PRO  17          2HD       PRO   1  -0.613   6.336  -3.168
  125    H    CYS  18           H        CYS   1   1.511   4.269  -0.433
  126    HA   CYS  18           HA       CYS   1   1.530   3.844   2.490
  127   1HB   CYS  18          1HB       CYS   1   3.028   2.476   0.172
  128   2HB   CYS  18          2HB       CYS   1   3.440   2.104   1.853
  129    H    LYS  19           H        LYS   1   3.860   5.015   0.099
  130    HA   LYS  19           HA       LYS   1   5.930   5.308   2.231
  131   1HB   LYS  19          1HB       LYS   1   6.481   4.854  -0.195
  132   2HB   LYS  19          2HB       LYS   1   5.804   6.415  -0.644
  133   1HG   LYS  19          1HG       LYS   1   8.216   6.608  -0.605
  134   2HG   LYS  19          2HG       LYS   1   7.596   7.586   0.720
  135   1HD   LYS  19          1HD       LYS   1   8.146   5.742   2.347
  136   2HD   LYS  19          2HD       LYS   1   8.673   4.708   1.008
  137   1HE   LYS  19          1HE       LYS   1  10.445   6.403   0.399
  138   2HE   LYS  19          2HE       LYS   1   9.914   7.438   1.740
  139   1HZ   LYS  19          1HZ       LYS   1  11.777   6.022   2.350
  140   2HZ   LYS  19          2HZ       LYS   1  10.946   4.662   1.988
  141    H    ASP  20           H        ASP   2   3.285   7.169   1.135
  142    HA   ASP  20           HA       ASP   2   4.438   9.724   2.199
  143   1HB   ASP  20          1HB       ASP   2   2.999   9.776   0.116
  144   2HB   ASP  20          2HB       ASP   2   1.639   9.164   1.075
  145    HD2  ASP  20           HD2      ASP   2   0.414  10.715   1.035
  146    H    ALA  21           H        ALA   2   2.679   7.213   3.028
  147    HA   ALA  21           HA       ALA   2   1.367   8.455   5.450
  148   1HB   ALA  21          1HB       ALA   2   1.612   5.457   4.721
  149   2HB   ALA  21          2HB       ALA   2   0.588   6.123   6.022
  150   3HB   ALA  21          3HB       ALA   2   0.232   6.511   4.319
  151    H    GLY  22           H        GLY   2   4.253   6.757   4.607
  152   1HA   GLY  22          1HA       GLY   2   6.295   7.083   6.014
  153   2HA   GLY  22          2HA       GLY   2   5.306   7.130   7.467
  154    H    MET  23           H        MET   2   4.681   4.790   4.972
  155    HA   MET  23           HA       MET   2   5.353   2.598   6.996
  156   1HB   MET  23          1HB       MET   2   3.642   2.507   4.441
  157   2HB   MET  23          2HB       MET   2   3.988   1.119   5.466
  158   1HG   MET  23          1HG       MET   2   3.162   3.055   7.351
  159   2HG   MET  23          2HG       MET   2   2.110   3.386   5.958
  160   1HE   MET  23          3HE       MET   2   3.182   1.131   8.837
  161   2HE   MET  23          1HE       MET   2   2.524  -0.495   8.463
  162   3HE   MET  23          2HE       MET   2   3.887   0.160   7.513
  163    H    ARG  24           H        ARG   2   5.904   0.532   5.305
  164    HA   ARG  24           HA       ARG   2   8.621   1.454   4.295
  165   1HB   ARG  24          1HB       ARG   2   8.251  -0.461   5.969
  166   2HB   ARG  24          2HB       ARG   2   7.579  -1.396   4.659
  167   1HG   ARG  24          1HG       ARG   2   9.858  -2.058   4.774
  168   2HG   ARG  24          2HG       ARG   2   9.853  -0.946   3.403
  169   1HD   ARG  24          1HD       ARG   2  10.724   0.893   4.891
  170   2HD   ARG  24          2HD       ARG   2  10.607  -0.188   6.300
  171   1HH1  ARG  24          2HH1      ARG   2  12.135   1.242   6.403
  172   2HH1  ARG  24          1HH1      ARG   2  13.961   1.278   6.581
  173   1HH2  ARG  24          1HH2      ARG   2  14.395  -1.457   4.505
  174   2HH2  ARG  24          2HH2      ARG   2  15.178  -0.175   5.559
  175    H    PHE  25           H        PHE   2   7.741  -1.112   2.763
  176    HA   PHE  25           HA       PHE   2   7.182   0.445   0.248
  177   1HB   PHE  25          1HB       PHE   2   6.954  -2.592   0.412
  178   2HB   PHE  25          2HB       PHE   2   7.342  -1.608  -0.997
  179    HD1  PHE  25           HD2      PHE   2   9.456  -0.037  -0.620
  180    HD2  PHE  25           HD1      PHE   2   8.721  -3.572   1.509
  181    HE1  PHE  25           HE2      PHE   2  11.815  -0.220  -0.109
  182    HE2  PHE  25           HE1      PHE   2  11.079  -3.755   2.020
  183    HZ   PHE  25           HZ       PHE   2  12.626  -2.079   1.211
  184    H    GLY  26           H        GLY   2   5.482  -0.505  -1.221
  185   1HA   GLY  26          1HA       GLY   2   2.808  -0.625   0.327
  186   2HA   GLY  26          2HA       GLY   2   2.972   0.238  -1.188
  187    H    LYS  27           H        LYS   2   2.201  -2.670   0.205
  188    HA   LYS  27           HA       LYS   2   2.882  -4.265  -2.367
  189   1HB   LYS  27          1HB       LYS   2   2.198  -5.354   0.406
  190   2HB   LYS  27          2HB       LYS   2   2.344  -6.305  -1.071
  191   1HG   LYS  27          1HG       LYS   2   4.701  -5.447  -1.390
  192   2HG   LYS  27          2HG       LYS   2   4.577  -4.556   0.136
  193   1HD   LYS  27          1HD       LYS   2   4.147  -6.695   1.375
  194   2HD   LYS  27          2HD       LYS   2   4.182  -7.602  -0.146
  195   1HE   LYS  27          1HE       LYS   2   6.563  -6.869  -0.543
  196   2HE   LYS  27          2HE       LYS   2   6.538  -5.949   0.974
  197   1HZ   LYS  27          1HZ       LYS   2   6.043  -8.028   2.144
  198   2HZ   LYS  27          2HZ       LYS   2   6.067  -8.875   0.746
  199    H    CYS  28           H        CYS   2   1.247  -4.080  -3.757
  200    HA   CYS  28           HA       CYS   2  -1.460  -3.584  -2.688
  201   1HB   CYS  28          1HB       CYS   2  -0.900  -2.672  -4.901
  202   2HB   CYS  28          2HB       CYS   2  -0.965  -4.321  -5.591
  203    H    MET  29           H        MET   2  -3.051  -4.949  -2.376
  204    HA   MET  29           HA       MET   2  -2.766  -7.876  -3.152
  205   1HB   MET  29          1HB       MET   2  -3.095  -6.882  -0.248
  206   2HB   MET  29          2HB       MET   2  -3.526  -8.513  -0.766
  207   1HG   MET  29          1HG       MET   2  -1.160  -8.948  -1.499
  208   2HG   MET  29          2HG       MET   2  -0.709  -7.295  -1.032
  209   1HE   MET  29          1HE       MET   2  -1.565 -10.874  -0.011
  210   2HE   MET  29          3HE       MET   2  -1.769 -10.836   1.767
  211   3HE   MET  29          2HE       MET   2  -3.042 -10.160   0.709
  212    H    ASN  30           H        ASN   3  -4.534  -8.436  -3.955
  213    HA   ASN  30           HA       ASN   3  -6.739  -8.384  -4.737
  214   1HB   ASN  30          1HB       ASN   3  -8.458  -8.825  -3.144
  215   2HB   ASN  30          2HB       ASN   3  -6.986  -9.642  -2.635
  216   1HD2  ASN  30          2HD2      ASN   3  -6.830  -8.013   0.493
  217   2HD2  ASN  30          1HD2      ASN   3  -6.045  -9.128  -0.734
  218    H    ARG  31           H        ARG   3  -5.680  -6.066  -5.213
  219    HA   ARG  31           HA       ARG   3  -6.209  -3.861  -5.828
  220   1HB   ARG  31          1HB       ARG   3  -8.243  -5.196  -6.710
  221   2HB   ARG  31          2HB       ARG   3  -9.153  -4.510  -5.359
  222   1HG   ARG  31          1HG       ARG   3  -8.447  -2.169  -6.141
  223   2HG   ARG  31          2HG       ARG   3  -7.622  -2.906  -7.515
  224   1HD   ARG  31          1HD       ARG   3 -10.626  -3.222  -6.896
  225   2HD   ARG  31          2HD       ARG   3  -9.945  -2.042  -8.039
  226   1HH1  ARG  31          2HH2      ARG   3 -11.855  -2.762  -8.527
  227   2HH1  ARG  31          1HH2      ARG   3 -12.663  -3.636  -9.923
  228   1HH2  ARG  31          1HH1      ARG   3  -9.929  -5.691 -10.453
  229   2HH2  ARG  31          2HH1      ARG   3 -11.626  -5.213 -10.960
  230    H    LYS  32           H        LYS   3  -5.516  -4.365  -3.139
  231    HA   LYS  32           HA       LYS   3  -6.598  -1.748  -2.010
  232   1HB   LYS  32          1HB       LYS   3  -6.645  -4.510  -0.644
  233   2HB   LYS  32          2HB       LYS   3  -6.575  -3.015   0.290
  234   1HG   LYS  32          1HG       LYS   3  -8.700  -2.207  -0.767
  235   2HG   LYS  32          2HG       LYS   3  -8.804  -3.702  -1.711
  236   1HD   LYS  32          1HD       LYS   3  -8.846  -5.048   0.426
  237   2HD   LYS  32          2HD       LYS   3  -8.741  -3.553   1.370
  238   1HE   LYS  32          1HE       LYS   3 -10.900  -2.743   0.332
  239   2HE   LYS  32          2HE       LYS   3 -11.005  -4.242  -0.614
  240   1HZ   LYS  32          1HZ       LYS   3 -11.060  -5.494   1.445
  241   2HZ   LYS  32          2HZ       LYS   3 -12.285  -4.412   1.401
  242    H    CYS  33           H        CYS   3  -4.843  -0.585  -1.507
  243    HA   CYS  33           HA       CYS   3  -2.274  -1.685  -1.421
  244   1HB   CYS  33          2HB       CYS   3  -3.161   0.632  -1.721
  245   2HB   CYS  33          1HB       CYS   3  -3.283   0.817   0.045
  246    H    HIS  34           H        HIS   3  -1.357  -2.737  -0.169
  247    HA   HIS  34           HA       HIS   3  -2.111  -3.050   2.790
  248   1HB   HIS  34          1HB       HIS   3  -1.398  -5.321   0.856
  249   2HB   HIS  34          2HB       HIS   3  -1.012  -5.416   2.570
  250    HD2  HIS  34           HD2      HIS   3  -4.357  -3.936   1.099
  251    HE1  HIS  34           HE1      HIS   3  -5.318  -7.255   3.411
  252    HE2  HIS  34           HE2      HIS   3  -6.391  -5.357   2.046
  253    H    CYS  35           H        CYS   3  -0.495  -1.617   3.457
  254    HA   CYS  35           HA       CYS   3   2.146  -1.808   2.112
  255   1HB   CYS  35          2HB       CYS   3   1.982  -0.554   4.846
  256   2HB   CYS  35          1HB       CYS   3   3.006  -0.232   3.413
  257    H    THR  36           H        THR   3   4.116  -1.975   3.565
  258    HA   THR  36           HA       THR   3   3.950  -4.799   4.679
  259    HB   THR  36           HB       THR   3   6.319  -3.081   3.843
  260    HG1  THR  36           HG1      THR   3   4.979  -5.304   2.710
  261   1HG2  THR  36          2HG2      THR   3   6.124  -6.046   4.697
  262   2HG2  THR  36          3HG2      THR   3   7.564  -5.281   3.977
  263   3HG2  THR  36          1HG2      THR   3   6.998  -4.766   5.584
  264    HA   PRO  37           HA       PRO   3   4.353  -2.006   8.475
  265   1HB   PRO  37          1HB       PRO   3   4.523  -4.683   9.923
  266   2HB   PRO  37          2HB       PRO   3   3.609  -3.228  10.410
  267   1HG   PRO  37          1HG       PRO   3   2.240  -5.253   9.258
  268   2HG   PRO  37          2HG       PRO   3   1.958  -3.598   8.645
  269   1HD   PRO  37          1HD       PRO   3   3.767  -5.745   7.408
  270   2HD   PRO  37          2HD       PRO   3   2.554  -4.694   6.606
  271    H    LYS  38           H        LYS   3   6.188  -1.088   8.881
  272    HA   LYS  38           HA       LYS   3   8.744  -2.530   8.595
  273   1HB   LYS  38          1HB       LYS   3   8.411  -0.046   8.192
  274   2HB   LYS  38          2HB       LYS   3   8.193   0.193   9.930
  275   1HG   LYS  38          1HG       LYS   3  10.519  -0.677  10.357
  276   2HG   LYS  38          2HG       LYS   3  10.686  -1.081   8.651
  277   1HD   LYS  38          1HD       LYS   3  11.852   1.013   9.012
  278   2HD   LYS  38          2HD       LYS   3  10.436   1.331   8.011
  279   1HE   LYS  38          1HE       LYS   3  10.694   3.099   9.710
  280   2HE   LYS  38          2HE       LYS   3   9.197   2.224  10.033
  281   1HZ   LYS  38          1HZ       LYS   3  11.801   1.723  11.376
  282   2HZ   LYS  38          2HZ       LYS   3  10.422   0.900  11.683
  283    HXT  LYS  38           HO       OH    3   9.747  -3.391  11.741
   
  No H/Q in entry =         283
  Start of MODEL    4
    1   1H    GLY   1          1H        GLY   1   0.781  -6.766   6.283
    2   2H    GLY   1          2H        GLY   1   0.778  -5.279   6.961
    3   1HA   GLY   1          1HA       GLY   1  -1.602  -7.029   6.623
    4   2HA   GLY   1          2HA       GLY   1  -0.729  -6.745   8.144
    5    H    VAL   2           H        VAL   2  -0.147  -3.978   7.515
    6    HA   VAL   2           HA       VAL   2  -2.809  -2.853   8.396
    7    HB   VAL   2           HB       VAL   2  -1.483  -0.730   8.729
    8   1HG1  VAL   2          3HG2      VAL   2  -2.001  -2.378  10.549
    9   2HG1  VAL   2          1HG2      VAL   2  -0.520  -3.291  10.153
   10   3HG1  VAL   2          2HG2      VAL   2  -0.398  -1.634  10.801
   11   1HG2  VAL   2          3HG1      VAL   2   0.495  -1.328   7.157
   12   2HG2  VAL   2          1HG1      VAL   2   0.952  -0.805   8.792
   13   3HG2  VAL   2          2HG1      VAL   2   1.012  -2.525   8.375
   14    H    GLU   3           H        GLU   3  -3.800  -3.291   6.413
   15    HA   GLU   3           HA       GLU   3  -2.903  -1.762   4.023
   16   1HB   GLU   3          1HB       GLU   3  -4.933  -2.650   2.937
   17   2HB   GLU   3          2HB       GLU   3  -4.039  -3.928   3.756
   18   1HG   GLU   3          1HG       GLU   3  -5.686  -3.818   5.708
   19   2HG   GLU   3          2HG       GLU   3  -6.579  -2.551   4.853
   20    HE2  GLU   3           HE2      GLU   3  -6.656  -5.459   5.630
   21    H    ILE   4           H        ILE   4  -3.621   0.090   3.241
   22    HA   ILE   4           HA       ILE   4  -5.244   1.782   5.168
   23    HB   ILE   4           HB       ILE   4  -4.672   3.681   3.721
   24   1HG1  ILE   4          1HG1      ILE   4  -2.886   1.703   2.160
   25   2HG1  ILE   4          2HG1      ILE   4  -4.397   2.396   1.560
   26   1HG2  ILE   4          1HG2      ILE   4  -3.324   2.850   5.720
   27   2HG2  ILE   4          2HG2      ILE   4  -2.241   1.992   4.596
   28   3HG2  ILE   4          3HG2      ILE   4  -2.342   3.772   4.566
   29   1HD1  ILE   4          3HD1      ILE   4  -3.383   4.738   1.884
   30   2HD1  ILE   4          1HD1      ILE   4  -1.836   3.962   2.310
   31   3HD1  ILE   4          2HD1      ILE   4  -2.524   3.731   0.688
   32    H    ASN   5           H        ASN   5  -6.791   3.326   3.788
   33    HA   ASN   5           HA       ASN   5  -8.726   1.360   2.564
   34   1HB   ASN   5          1HB       ASN   5 -10.391   3.147   2.840
   35   2HB   ASN   5          2HB       ASN   5  -9.490   2.906   4.345
   36   1HD2  ASN   5          1HD2      ASN   5  -9.394   6.503   2.473
   37   2HD2  ASN   5          2HD2      ASN   5 -10.405   5.073   1.923
   38    H    VAL   6           H        VAL   6  -6.501   2.193   0.978
   39    HA   VAL   6           HA       VAL   6  -7.897   3.794  -1.260
   40    HB   VAL   6           HB       VAL   6  -4.979   2.963  -1.170
   41   1HG1  VAL   6          1HG1      VAL   6  -5.876   3.471  -3.442
   42   2HG1  VAL   6          2HG1      VAL   6  -6.487   5.044  -2.862
   43   3HG1  VAL   6          3HG1      VAL   6  -4.731   4.736  -2.923
   44   1HG2  VAL   6          3HG2      VAL   6  -6.308   5.640  -0.355
   45   2HG2  VAL   6          2HG2      VAL   6  -5.315   4.604   0.707
   46   3HG2  VAL   6          1HG2      VAL   6  -4.564   5.453  -0.658
   47    H    LYS   7           H        LYS   7  -8.335   2.801  -3.064
   48    HA   LYS   7           HA       LYS   7  -8.204  -0.253  -3.015
   49   1HB   LYS   7          1HB       LYS   7  -9.904  -0.298  -4.709
   50   2HB   LYS   7          2HB       LYS   7 -10.456   0.649  -3.331
   51   1HG   LYS   7          1HG       LYS   7  -9.861   2.792  -4.592
   52   2HG   LYS   7          2HG       LYS   7  -9.428   1.817  -5.998
   53   1HD   LYS   7          1HD       LYS   7 -12.194   1.779  -4.636
   54   2HD   LYS   7          2HD       LYS   7 -11.774   2.808  -6.007
   55   1HE   LYS   7          1HE       LYS   7 -11.193   0.744  -7.371
   56   2HE   LYS   7          2HE       LYS   7 -11.742  -0.274  -6.023
   57   1HZ   LYS   7          1HZ       LYS   7 -13.507   0.081  -7.590
   58   2HZ   LYS   7          2HZ       LYS   7 -13.907   0.767  -6.162
   59    H    CYS   8           H        CYS   8  -6.936  -1.337  -4.472
   60    HA   CYS   8           HA       CYS   8  -6.104   0.059  -6.960
   61   1HB   CYS   8          1HB       CYS   8  -3.678   0.140  -6.547
   62   2HB   CYS   8          2HB       CYS   8  -4.542   1.164  -5.404
   63    H    SER   9           H        SER   9  -5.154  -0.814  -8.305
   64    HA   SER   9           HA       SER   9  -4.783  -3.861  -8.166
   65   1HB   SER   9          1HB       SER   9  -4.956  -3.808 -10.663
   66   2HB   SER   9          2HB       SER   9  -6.387  -3.064  -9.922
   67    HG   SER   9           HG       SER   9  -4.082  -1.700 -10.876
   68    H    GLY  10           H        GLY   1  -3.427  -0.765  -8.729
   69   1HA   GLY  10          2HA       GLY   1  -0.761  -1.767  -9.745
   70   2HA   GLY  10          1HA       GLY   1  -1.263  -0.113  -9.537
   71    H    SER  11           H        SER   1   0.451  -2.717  -8.416
   72    HA   SER  11           HA       SER   1   0.687  -2.092  -5.603
   73   1HB   SER  11          1HB       SER   1   2.969  -3.327  -5.757
   74   2HB   SER  11          2HB       SER   1   1.461  -4.193  -6.076
   75    HG   SER  11           HG       SER   1   3.152  -3.052  -8.049
   76    HA   PRO  12           HA       PRO   1   4.204   1.024  -6.574
   77   1HB   PRO  12          1HB       PRO   1   3.298   1.871  -9.384
   78   2HB   PRO  12          2HB       PRO   1   4.885   2.194  -8.618
   79   1HG   PRO  12          1HG       PRO   1   4.640   0.019 -10.222
   80   2HG   PRO  12          2HG       PRO   1   5.467  -0.159  -8.647
   81   1HD   PRO  12          1HD       PRO   1   2.694  -1.086  -9.409
   82   2HD   PRO  12          2HD       PRO   1   3.857  -1.754  -8.230
   83    H    GLN  13           H        GLN   1   0.842   1.329  -7.535
   84    HA   GLN  13           HA       GLN   1   0.692   4.233  -6.805
   85   1HB   GLN  13          1HB       GLN   1  -0.790   3.132  -8.540
   86   2HB   GLN  13          2HB       GLN   1  -1.537   2.150  -7.274
   87   1HG   GLN  13          1HG       GLN   1  -2.368   4.223  -6.126
   88   2HG   GLN  13          2HG       GLN   1  -1.527   5.237  -7.312
   89   1HE2  GLN  13          2HE2      GLN   1  -4.391   5.231  -9.341
   90   2HE2  GLN  13          1HE2      GLN   1  -3.007   6.117  -8.525
   91    H    CYS  14           H        CYS   1   0.770   1.220  -5.147
   92    HA   CYS  14           HA       CYS   1  -0.894   2.031  -2.757
   93   1HB   CYS  14          1HB       CYS   1  -0.519  -0.386  -3.179
   94   2HB   CYS  14          2HB       CYS   1   1.205  -0.268  -3.144
   95    H    LEU  15           H        LEU   1   2.339   1.580  -3.924
   96    HA   LEU  15           HA       LEU   1   3.929   2.188  -1.661
   97   1HB   LEU  15          1HB       LEU   1   4.762   1.240  -3.835
   98   2HB   LEU  15          2HB       LEU   1   4.493   2.786  -4.626
   99    HG   LEU  15           HG       LEU   1   6.266   3.860  -3.185
  100   1HD1  LEU  15          2HD2      LEU   1   6.742   0.970  -2.211
  101   2HD1  LEU  15          3HD2      LEU   1   7.783   2.373  -1.869
  102   3HD1  LEU  15          1HD2      LEU   1   6.140   2.304  -1.185
  103   1HD2  LEU  15          3HD1      LEU   1   6.774   2.897  -5.431
  104   2HD2  LEU  15          1HD1      LEU   1   8.153   2.699  -4.316
  105   3HD2  LEU  15          2HD1      LEU   1   7.099   1.309  -4.687
  106    H    LYS  16           H        LYS   1   2.946   4.386  -4.111
  107    HA   LYS  16           HA       LYS   1   4.321   6.726  -3.116
  108   1HB   LYS  16          1HB       LYS   1   1.790   6.724  -4.799
  109   2HB   LYS  16          2HB       LYS   1   2.775   8.144  -4.430
  110   1HG   LYS  16          1HG       LYS   1   4.802   6.963  -5.422
  111   2HG   LYS  16          2HG       LYS   1   3.751   5.624  -5.913
  112   1HD   LYS  16          1HD       LYS   1   2.341   7.207  -7.266
  113   2HD   LYS  16          2HD       LYS   1   3.323   8.569  -6.711
  114   1HE   LYS  16          1HE       LYS   1   4.098   7.930  -8.946
  115   2HE   LYS  16          2HE       LYS   1   5.371   7.523  -7.782
  116   1HZ   LYS  16          1HZ       LYS   1   4.936   5.731  -9.345
  117   2HZ   LYS  16          2HZ       LYS   1   3.364   5.640  -8.906
  118    HA   PRO  17           HA       PRO   1   1.260   8.280  -0.068
  119   1HB   PRO  17          1HB       PRO   1  -1.205   7.269   0.492
  120   2HB   PRO  17          2HB       PRO   1  -0.902   8.214  -0.991
  121   1HG   PRO  17          1HG       PRO   1  -0.929   5.160  -0.721
  122   2HG   PRO  17          2HG       PRO   1  -1.861   6.153  -1.882
  123   1HD   PRO  17          1HD       PRO   1   0.564   5.057  -2.631
  124   2HD   PRO  17          2HD       PRO   1   0.121   6.695  -3.145
  125    H    CYS  18           H        CYS   1   1.509   4.777  -0.114
  126    HA   CYS  18           HA       CYS   1   1.089   4.582   2.829
  127   1HB   CYS  18          1HB       CYS   1   0.883   2.651   0.961
  128   2HB   CYS  18          2HB       CYS   1   2.588   2.390   1.359
  129    H    LYS  19           H        LYS   1   3.747   5.155   0.696
  130    HA   LYS  19           HA       LYS   1   5.777   4.589   2.849
  131   1HB   LYS  19          1HB       LYS   1   6.204   4.106   0.397
  132   2HB   LYS  19          2HB       LYS   1   6.112   5.838   0.053
  133   1HG   LYS  19          1HG       LYS   1   8.079   6.262   1.563
  134   2HG   LYS  19          2HG       LYS   1   8.071   4.568   2.065
  135   1HD   LYS  19          1HD       LYS   1   9.820   4.805   0.423
  136   2HD   LYS  19          2HD       LYS   1   8.527   3.876  -0.341
  137   1HE   LYS  19          1HE       LYS   1   7.725   5.949  -1.533
  138   2HE   LYS  19          2HE       LYS   1   8.939   6.921  -0.677
  139   1HZ   LYS  19          1HZ       LYS   1   9.675   6.243  -2.875
  140   2HZ   LYS  19          2HZ       LYS   1   9.502   4.657  -2.516
  141    H    ASP  20           H        ASP   2   3.819   7.121   1.684
  142    HA   ASP  20           HA       ASP   2   5.534   9.255   2.904
  143   1HB   ASP  20          1HB       ASP   2   4.333   9.751   0.740
  144   2HB   ASP  20          2HB       ASP   2   2.784   9.441   1.544
  145    HD2  ASP  20           HD2      ASP   2   2.476  12.668   2.472
  146    H    ALA  21           H        ALA   2   3.027   7.355   3.377
  147    HA   ALA  21           HA       ALA   2   1.720   8.719   5.683
  148   1HB   ALA  21          1HB       ALA   2   1.721   5.700   4.998
  149   2HB   ALA  21          3HB       ALA   2   0.661   6.469   6.209
  150   3HB   ALA  21          2HB       ALA   2   0.488   6.883   4.485
  151    H    GLY  22           H        GLY   2   4.011   6.060   5.370
  152   1HA   GLY  22          1HA       GLY   2   5.983   6.768   7.201
  153   2HA   GLY  22          2HA       GLY   2   4.701   6.281   8.320
  154    H    MET  23           H        MET   2   4.389   4.485   5.531
  155    HA   MET  23           HA       MET   2   5.511   2.085   7.004
  156   1HB   MET  23          1HB       MET   2   4.012   2.071   4.336
  157   2HB   MET  23          2HB       MET   2   4.311   0.708   5.396
  158   1HG   MET  23          1HG       MET   2   2.421   3.078   5.886
  159   2HG   MET  23          2HG       MET   2   2.033   1.356   5.818
  160   1HE   MET  23          2HE       MET   2   2.893  -0.404   7.432
  161   2HE   MET  23          1HE       MET   2   4.565   0.110   7.774
  162   3HE   MET  23          3HE       MET   2   3.414  -0.112   9.127
  163    H    ARG  24           H        ARG   2   6.265   0.398   5.118
  164    HA   ARG  24           HA       ARG   2   8.786   1.750   4.029
  165   1HB   ARG  24          1HB       ARG   2   8.822  -0.096   5.817
  166   2HB   ARG  24          2HB       ARG   2   8.354  -1.212   4.573
  167   1HG   ARG  24          1HG       ARG   2  10.717  -1.382   4.648
  168   2HG   ARG  24          2HG       ARG   2  10.417  -0.412   3.212
  169   1HD   ARG  24          1HD       ARG   2  12.297   0.527   4.425
  170   2HD   ARG  24          2HD       ARG   2  10.971   1.690   4.559
  171   1HH1  ARG  24          2HH2      ARG   2  12.797   2.355   5.330
  172   2HH1  ARG  24          1HH2      ARG   2  13.483   2.934   6.930
  173   1HH2  ARG  24          2HH1      ARG   2  11.683   0.606   8.750
  174   2HH2  ARG  24          1HH1      ARG   2  12.884   1.992   8.770
  175    H    PHE  25           H        PHE   2   8.378  -1.029   2.668
  176    HA   PHE  25           HA       PHE   2   7.694   0.227   0.074
  177   1HB   PHE  25          1HB       PHE   2   7.535  -2.792   0.442
  178   2HB   PHE  25          2HB       PHE   2   7.964  -1.894  -1.009
  179    HD1  PHE  25           HD2      PHE   2  10.046  -0.316  -0.734
  180    HD2  PHE  25           HD1      PHE   2   9.260  -3.597   1.753
  181    HE1  PHE  25           HE2      PHE   2  12.385  -0.409  -0.118
  182    HE2  PHE  25           HE1      PHE   2  11.598  -3.690   2.369
  183    HZ   PHE  25           HZ       PHE   2  13.161  -2.096   1.434
  184    H    GLY  26           H        GLY   2   6.120  -0.811  -1.372
  185   1HA   GLY  26          1HA       GLY   2   3.356  -1.026   0.018
  186   2HA   GLY  26          2HA       GLY   2   3.597  -0.019  -1.393
  187    H    LYS  27           H        LYS   2   1.988  -2.336  -0.824
  188    HA   LYS  27           HA       LYS   2   2.531  -3.640  -3.500
  189   1HB   LYS  27          1HB       LYS   2   3.902  -4.902  -1.776
  190   2HB   LYS  27          2HB       LYS   2   2.420  -5.278  -0.889
  191   1HG   LYS  27          1HG       LYS   2   1.519  -6.513  -2.893
  192   2HG   LYS  27          2HG       LYS   2   2.950  -6.053  -3.830
  193   1HD   LYS  27          1HD       LYS   2   4.419  -7.269  -2.177
  194   2HD   LYS  27          2HD       LYS   2   2.987  -7.724  -1.239
  195   1HE   LYS  27          1HE       LYS   2   2.053  -8.938  -3.250
  196   2HE   LYS  27          2HE       LYS   2   3.487  -8.482  -4.190
  197   1HZ   LYS  27          1HZ       LYS   2   3.484 -10.107  -1.702
  198   2HZ   LYS  27          2HZ       LYS   2   3.687 -10.686  -3.218
  199    H    CYS  28           H        CYS   2   0.697  -3.817  -4.501
  200    HA   CYS  28           HA       CYS   2  -1.832  -3.461  -2.939
  201   1HB   CYS  28          1HB       CYS   2  -1.349  -3.831  -5.925
  202   2HB   CYS  28          2HB       CYS   2  -2.970  -3.796  -5.230
  203    H    MET  29           H        MET   2  -3.217  -4.847  -2.496
  204    HA   MET  29           HA       MET   2  -3.121  -7.647  -3.605
  205   1HB   MET  29          1HB       MET   2  -1.375  -7.631  -1.778
  206   2HB   MET  29          2HB       MET   2  -2.611  -7.165  -0.604
  207   1HG   MET  29          1HG       MET   2  -3.878  -9.300  -1.066
  208   2HG   MET  29          2HG       MET   2  -2.692  -9.736  -2.317
  209   1HE   MET  29          1HE       MET   2  -3.482 -11.600   0.126
  210   2HE   MET  29          2HE       MET   2  -2.287 -12.042  -1.131
  211   3HE   MET  29          3HE       MET   2  -1.873 -12.224   0.601
  212    H    ASN  30           H        ASN   3  -4.989  -8.482  -3.693
  213    HA   ASN  30           HA       ASN   3  -7.344  -8.698  -3.584
  214   1HB   ASN  30          1HB       ASN   3  -6.573  -9.347  -1.230
  215   2HB   ASN  30          2HB       ASN   3  -7.021  -7.722  -0.692
  216   1HD2  ASN  30          2HD2      ASN   3 -10.330  -8.802  -0.178
  217   2HD2  ASN  30          1HD2      ASN   3  -8.853  -7.848   0.346
  218    H    ARG  31           H        ARG   3  -6.507  -6.430  -4.738
  219    HA   ARG  31           HA       ARG   3  -7.229  -4.330  -5.460
  220   1HB   ARG  31          1HB       ARG   3  -9.410  -5.808  -5.448
  221   2HB   ARG  31          2HB       ARG   3  -9.887  -4.830  -4.063
  222   1HG   ARG  31          1HG       ARG   3 -10.871  -3.718  -5.903
  223   2HG   ARG  31          2HG       ARG   3  -9.434  -2.737  -5.605
  224   1HD   ARG  31          1HD       ARG   3  -8.221  -3.961  -7.455
  225   2HD   ARG  31          2HD       ARG   3  -9.637  -5.019  -7.670
  226   1HH1  ARG  31          2HH1      ARG   3  -8.528  -4.666  -9.409
  227   2HH1  ARG  31          1HH1      ARG   3  -8.798  -3.965 -11.084
  228   1HH2  ARG  31          2HH2      ARG   3 -10.844  -1.441  -9.892
  229   2HH2  ARG  31          1HH2      ARG   3 -10.044  -2.229 -11.343
  230    H    LYS  32           H        LYS   3  -5.955  -4.470  -2.747
  231    HA   LYS  32           HA       LYS   3  -6.686  -1.599  -2.040
  232   1HB   LYS  32          1HB       LYS   3  -6.833  -4.026  -0.159
  233   2HB   LYS  32          2HB       LYS   3  -6.429  -2.425   0.458
  234   1HG   LYS  32          1HG       LYS   3  -8.555  -1.491  -0.569
  235   2HG   LYS  32          2HG       LYS   3  -9.010  -3.131  -1.053
  236   1HD   LYS  32          1HD       LYS   3  -8.927  -3.872   1.350
  237   2HD   LYS  32          2HD       LYS   3  -8.458  -2.237   1.841
  238   1HE   LYS  32          1HE       LYS   3 -10.604  -1.326   0.861
  239   2HE   LYS  32          2HE       LYS   3 -11.073  -2.965   0.369
  240   1HZ   LYS  32          1HZ       LYS   3 -10.510  -2.119   3.162
  241   2HZ   LYS  32          2HZ       LYS   3 -10.943  -3.629   2.708
  242    H    CYS  33           H        CYS   3  -5.011  -0.449  -1.115
  243    HA   CYS  33           HA       CYS   3  -2.386  -1.527  -1.542
  244   1HB   CYS  33          1HB       CYS   3  -3.087   0.840  -1.696
  245   2HB   CYS  33          2HB       CYS   3  -3.565   0.805   0.015
  246    H    HIS  34           H        HIS   3  -1.488  -2.700  -0.502
  247    HA   HIS  34           HA       HIS   3  -1.775  -3.069   2.561
  248   1HB   HIS  34          1HB       HIS   3  -1.013  -5.175   0.452
  249   2HB   HIS  34          2HB       HIS   3  -0.496  -5.312   2.134
  250    HD2  HIS  34           HD2      HIS   3  -3.872  -4.829   0.187
  251    HE1  HIS  34           HE1      HIS   3  -4.689  -7.096   3.562
  252    HE2  HIS  34           HE2      HIS   3  -5.790  -6.165   1.441
  253    H    CYS  35           H        CYS   3   0.291  -3.160   3.620
  254    HA   CYS  35           HA       CYS   3   2.699  -2.506   1.867
  255   1HB   CYS  35          2HB       CYS   3   2.602  -0.748   4.258
  256   2HB   CYS  35          1HB       CYS   3   3.074  -0.414   2.573
  257    H    THR  36           H        THR   3   4.664  -2.234   3.375
  258    HA   THR  36           HA       THR   3   4.658  -4.888   4.757
  259    HB   THR  36           HB       THR   3   6.884  -2.881   4.198
  260    HG1  THR  36           HG1      THR   3   5.844  -3.817   2.419
  261   1HG2  THR  36          3HG2      THR   3   7.033  -5.833   5.098
  262   2HG2  THR  36          1HG2      THR   3   8.424  -4.829   4.606
  263   3HG2  THR  36          2HG2      THR   3   7.514  -4.426   6.085
  264    HA   PRO  37           HA       PRO   3   4.189  -2.462   8.668
  265   1HB   PRO  37          1HB       PRO   3   6.014  -4.523   9.973
  266   2HB   PRO  37          2HB       PRO   3   4.457  -3.897  10.582
  267   1HG   PRO  37          1HG       PRO   3   4.484  -6.340   9.422
  268   2HG   PRO  37          2HG       PRO   3   3.214  -5.185   8.927
  269   1HD   PRO  37          1HD       PRO   3   5.820  -5.832   7.438
  270   2HD   PRO  37          2HD       PRO   3   4.148  -5.685   6.798
  271    H    LYS  38           H        LYS   3   5.297  -0.963   9.911
  272    HA   LYS  38           HA       LYS   3   7.946  -0.215   8.838
  273   1HB   LYS  38          1HB       LYS   3   6.222   1.424   9.715
  274   2HB   LYS  38          2HB       LYS   3   6.502   0.827  11.355
  275   1HG   LYS  38          1HG       LYS   3   8.917   1.538  11.214
  276   2HG   LYS  38          2HG       LYS   3   8.676   2.044   9.534
  277   1HD   LYS  38          1HD       LYS   3   6.932   3.704  10.288
  278   2HD   LYS  38          2HD       LYS   3   7.171   3.193  11.967
  279   1HE   LYS  38          1HE       LYS   3   9.602   3.870  11.830
  280   2HE   LYS  38          2HE       LYS   3   9.363   4.383  10.147
  281   1HZ   LYS  38          1HZ       LYS   3   7.667   5.942  10.937
  282   2HZ   LYS  38          2HZ       LYS   3   7.887   5.470  12.486
  283    HXT  LYS  38           HO       OH    3   9.914  -2.253  10.702
   
  No H/Q in entry =         283
  Start of MODEL    5
    1   1H    GLY   1          1H        GLY   1  -1.227  -5.819   9.842
    2   2H    GLY   1          2H        GLY   1  -1.767  -7.271   9.319
    3   1HA   GLY   1          1HA       GLY   1  -1.501  -5.800   7.446
    4   2HA   GLY   1          2HA       GLY   1  -3.206  -6.246   7.665
    5    H    VAL   2           H        VAL   2  -1.170  -3.790   7.112
    6    HA   VAL   2           HA       VAL   2  -2.843  -1.668   8.566
    7    HB   VAL   2           HB       VAL   2  -0.991  -0.126   7.937
    8   1HG1  VAL   2          1HG1      VAL   2  -1.112  -1.239  10.184
    9   2HG1  VAL   2          3HG1      VAL   2  -0.143  -2.604   9.567
   10   3HG1  VAL   2          2HG1      VAL   2   0.579  -0.978   9.679
   11   1HG2  VAL   2          1HG2      VAL   2  -0.047  -1.505   5.990
   12   2HG2  VAL   2          2HG2      VAL   2   1.172  -0.961   7.167
   13   3HG2  VAL   2          3HG2      VAL   2   0.631  -2.651   7.183
   14    H    GLU   3           H        GLU   3  -4.174  -2.886   6.629
   15    HA   GLU   3           HA       GLU   3  -3.686  -1.640   4.018
   16   1HB   GLU   3          1HB       GLU   3  -5.854  -2.524   3.318
   17   2HB   GLU   3          2HB       GLU   3  -4.907  -3.745   4.167
   18   1HG   GLU   3          1HG       GLU   3  -6.255  -3.322   6.278
   19   2HG   GLU   3          2HG       GLU   3  -7.214  -2.114   5.405
   20    HE2  GLU   3           HE2      GLU   3  -8.446  -5.725   5.388
   21    H    ILE   4           H        ILE   4  -4.183   0.183   3.247
   22    HA   ILE   4           HA       ILE   4  -5.657   2.167   5.011
   23    HB   ILE   4           HB       ILE   4  -4.858   3.865   3.387
   24   1HG1  ILE   4          1HG1      ILE   4  -3.184   1.605   2.125
   25   2HG1  ILE   4          2HG1      ILE   4  -4.643   2.259   1.375
   26   1HG2  ILE   4          3HG2      ILE   4  -3.645   3.140   5.494
   27   2HG2  ILE   4          2HG2      ILE   4  -2.652   2.030   4.516
   28   3HG2  ILE   4          1HG2      ILE   4  -2.543   3.790   4.261
   29   1HD1  ILE   4          1HD1      ILE   4  -3.604   4.584   1.421
   30   2HD1  ILE   4          3HD1      ILE   4  -2.094   3.863   2.035
   31   3HD1  ILE   4          2HD1      ILE   4  -2.702   3.412   0.424
   32    H    ASN   5           H        ASN   5  -7.026   3.739   3.705
   33    HA   ASN   5           HA       ASN   5  -9.113   2.039   2.316
   34   1HB   ASN   5          1HB       ASN   5 -10.583   4.013   2.600
   35   2HB   ASN   5          2HB       ASN   5  -9.903   3.430   4.119
   36   1HD2  ASN   5          2HD2      ASN   5  -9.352   7.267   3.066
   37   2HD2  ASN   5          1HD2      ASN   5 -10.444   6.080   2.192
   38    H    VAL   6           H        VAL   6  -7.263   1.990   0.597
   39    HA   VAL   6           HA       VAL   6  -8.187   3.901  -1.597
   40    HB   VAL   6           HB       VAL   6  -5.245   3.140  -1.303
   41   1HG1  VAL   6          2HG1      VAL   6  -6.007   3.728  -3.603
   42   2HG1  VAL   6          3HG1      VAL   6  -6.658   5.278  -3.006
   43   3HG1  VAL   6          1HG1      VAL   6  -4.902   4.977  -2.979
   44   1HG2  VAL   6          3HG2      VAL   6  -5.714   4.736   0.593
   45   2HG2  VAL   6          2HG2      VAL   6  -4.690   5.495  -0.655
   46   3HG2  VAL   6          1HG2      VAL   6  -6.426   5.894  -0.562
   47    H    LYS   7           H        LYS   7  -8.463   2.831  -3.376
   48    HA   LYS   7           HA       LYS   7  -8.066  -0.179  -3.260
   49   1HB   LYS   7          1HB       LYS   7  -9.537   1.581  -5.306
   50   2HB   LYS   7          2HB       LYS   7  -9.396  -0.178  -5.412
   51   1HG   LYS   7          1HG       LYS   7 -10.505  -0.389  -3.138
   52   2HG   LYS   7          2HG       LYS   7 -10.734   1.367  -3.103
   53   1HD   LYS   7          1HD       LYS   7 -12.076   1.248  -5.228
   54   2HD   LYS   7          2HD       LYS   7 -11.777  -0.492  -5.330
   55   1HE   LYS   7          1HE       LYS   7 -14.009  -0.154  -4.374
   56   2HE   LYS   7          2HE       LYS   7 -12.960  -0.820  -3.110
   57   1HZ   LYS   7          1HZ       LYS   7 -12.617   1.456  -2.303
   58   2HZ   LYS   7          2HZ       LYS   7 -13.585   2.064  -3.472
   59    H    CYS   8           H        CYS   8  -6.886  -1.275  -4.812
   60    HA   CYS   8           HA       CYS   8  -5.367   0.396  -6.882
   61   1HB   CYS   8          1HB       CYS   8  -3.182  -0.528  -6.138
   62   2HB   CYS   8          2HB       CYS   8  -3.999   0.232  -4.795
   63    H    SER   9           H        SER   9  -4.050  -0.790  -8.179
   64    HA   SER   9           HA       SER   9  -5.003  -3.647  -8.806
   65   1HB   SER   9          1HB       SER   9  -6.075  -1.637 -10.080
   66   2HB   SER   9          2HB       SER   9  -4.514  -1.422 -10.882
   67    HG   SER   9           HG       SER   9  -4.640  -3.624 -11.533
   68    H    GLY  10           H        GLY   1  -2.590  -1.738  -7.987
   69   1HA   GLY  10          1HA       GLY   1  -0.521  -3.628  -9.022
   70   2HA   GLY  10          2HA       GLY   1  -0.442  -2.045  -9.838
   71    H    SER  11           H        SER   1   1.287  -3.553  -7.880
   72    HA   SER  11           HA       SER   1   1.313  -1.966  -5.461
   73   1HB   SER  11          1HB       SER   1   3.466  -2.910  -4.934
   74   2HB   SER  11          2HB       SER   1   2.353  -4.133  -5.552
   75    HG   SER  11           HG       SER   1   4.425  -4.285  -6.479
   76    HA   PRO  12           HA       PRO   1   4.501   1.150  -6.993
   77   1HB   PRO  12          1HB       PRO   1   3.450   1.667  -9.818
   78   2HB   PRO  12          2HB       PRO   1   5.074   2.041  -9.168
   79   1HG   PRO  12          1HG       PRO   1   4.789  -0.234 -10.587
   80   2HG   PRO  12          2HG       PRO   1   5.629  -0.337  -9.011
   81   1HD   PRO  12          1HD       PRO   1   2.725  -1.062  -9.639
   82   2HD   PRO  12          2HD       PRO   1   3.912  -1.956  -8.656
   83    H    GLN  13           H        GLN   1   1.114   1.140  -7.887
   84    HA   GLN  13           HA       GLN   1   0.834   4.099  -7.456
   85   1HB   GLN  13          1HB       GLN   1  -0.617   2.800  -9.071
   86   2HB   GLN  13          2HB       GLN   1  -1.256   1.847  -7.731
   87   1HG   GLN  13          1HG       GLN   1  -2.866   3.600  -8.321
   88   2HG   GLN  13          2HG       GLN   1  -2.248   3.943  -6.706
   89   1HE2  GLN  13          2HE2      GLN   1  -1.550   6.523  -9.809
   90   2HE2  GLN  13          1HE2      GLN   1  -2.353   4.888 -10.025
   91    H    CYS  14           H        CYS   1   0.832   1.169  -5.647
   92    HA   CYS  14           HA       CYS   1  -0.733   2.232  -3.300
   93   1HB   CYS  14          2HB       CYS   1   0.967  -0.263  -3.904
   94   2HB   CYS  14          1HB       CYS   1   0.531   0.140  -2.231
   95    H    LEU  15           H        LEU   1   2.497   1.894  -4.507
   96    HA   LEU  15           HA       LEU   1   4.137   2.048  -2.209
   97   1HB   LEU  15          1HB       LEU   1   4.920   1.545  -4.506
   98   2HB   LEU  15          2HB       LEU   1   4.559   3.177  -5.037
   99    HG   LEU  15           HG       LEU   1   6.327   4.080  -3.450
  100   1HD1  LEU  15          1HD2      LEU   1   6.949   1.080  -3.039
  101   2HD1  LEU  15          2HD2      LEU   1   7.970   2.439  -2.495
  102   3HD1  LEU  15          3HD2      LEU   1   6.358   2.193  -1.775
  103   1HD2  LEU  15          3HD1      LEU   1   6.794   3.583  -5.854
  104   2HD2  LEU  15          2HD1      LEU   1   8.223   3.252  -4.839
  105   3HD2  LEU  15          1HD1      LEU   1   7.219   1.902  -5.433
  106    H    LYS  16           H        LYS   1   3.236   4.646  -4.302
  107    HA   LYS  16           HA       LYS   1   4.380   6.800  -2.755
  108   1HB   LYS  16          1HB       LYS   1   2.244   6.843  -4.905
  109   2HB   LYS  16          2HB       LYS   1   2.740   8.324  -4.077
  110   1HG   LYS  16          1HG       LYS   1   4.782   6.415  -5.364
  111   2HG   LYS  16          2HG       LYS   1   3.912   7.626  -6.307
  112   1HD   LYS  16          1HD       LYS   1   4.748   9.452  -4.791
  113   2HD   LYS  16          2HD       LYS   1   5.687   8.264  -3.875
  114   1HE   LYS  16          1HE       LYS   1   6.927   7.616  -5.977
  115   2HE   LYS  16          2HE       LYS   1   5.990   8.812  -6.895
  116   1HZ   LYS  16          1HZ       LYS   1   8.120   9.683  -6.155
  117   2HZ   LYS  16          2HZ       LYS   1   7.765   9.396  -4.585
  118    HA   PRO  17           HA       PRO   1   0.747   7.815  -0.154
  119   1HB   PRO  17          1HB       PRO   1  -1.056   5.360  -0.208
  120   2HB   PRO  17          2HB       PRO   1  -1.534   7.067   0.010
  121   1HG   PRO  17          1HG       PRO   1  -1.893   5.944  -2.422
  122   2HG   PRO  17          2HG       PRO   1  -1.116   7.553  -2.346
  123   1HD   PRO  17          1HD       PRO   1   0.239   4.838  -2.647
  124   2HD   PRO  17          2HD       PRO   1   0.514   6.332  -3.576
  125    H    CYS  18           H        CYS   1   1.689   4.420  -0.240
  126    HA   CYS  18           HA       CYS   1   1.519   4.119   2.682
  127   1HB   CYS  18          1HB       CYS   1   3.135   2.602   0.547
  128   2HB   CYS  18          2HB       CYS   1   3.282   2.212   2.267
  129    H    LYS  19           H        LYS   1   3.989   5.322   0.494
  130    HA   LYS  19           HA       LYS   1   5.978   5.533   2.778
  131   1HB   LYS  19          1HB       LYS   1   6.620   4.970   0.370
  132   2HB   LYS  19          2HB       LYS   1   6.155   6.607  -0.107
  133   1HG   LYS  19          1HG       LYS   1   7.823   7.546   1.578
  134   2HG   LYS  19          2HG       LYS   1   8.319   5.902   1.984
  135   1HD   LYS  19          1HD       LYS   1   8.477   7.122  -0.847
  136   2HD   LYS  19          2HD       LYS   1   9.806   7.132   0.316
  137   1HE   LYS  19          1HE       LYS   1   9.732   4.594   0.412
  138   2HE   LYS  19          2HE       LYS   1   8.485   4.604  -0.851
  139   1HZ   LYS  19          1HZ       LYS   1  10.704   4.354  -1.759
  140   2HZ   LYS  19          2HZ       LYS   1  11.208   5.759  -1.092
  141    H    ASP  20           H        ASP   2   3.472   7.295   1.217
  142    HA   ASP  20           HA       ASP   2   4.371   9.896   2.486
  143   1HB   ASP  20          1HB       ASP   2   3.688   9.718  -0.009
  144   2HB   ASP  20          2HB       ASP   2   2.024   9.543   0.564
  145    HD2  ASP  20           HD2      ASP   2   1.026  11.150   1.269
  146    H    ALA  21           H        ALA   2   2.754   7.432   3.433
  147    HA   ALA  21           HA       ALA   2   1.415   9.172   5.554
  148   1HB   ALA  21          2HB       ALA   2  -0.286   8.300   3.896
  149   2HB   ALA  21          1HB       ALA   2   0.215   6.632   4.288
  150   3HB   ALA  21          3HB       ALA   2  -0.550   7.648   5.537
  151    H    GLY  22           H        GLY   2   3.808   8.268   5.897
  152   1HA   GLY  22          1HA       GLY   2   5.113   7.203   7.583
  153   2HA   GLY  22          2HA       GLY   2   3.633   7.129   8.528
  154    H    MET  23           H        MET   2   4.778   5.417   5.578
  155    HA   MET  23           HA       MET   2   4.894   2.890   7.254
  156   1HB   MET  23          1HB       MET   2   2.511   3.611   5.983
  157   2HB   MET  23          2HB       MET   2   3.258   2.595   4.753
  158   1HG   MET  23          1HG       MET   2   1.799   1.268   6.273
  159   2HG   MET  23          2HG       MET   2   3.487   0.728   6.451
  160   1HE   MET  23          2HE       MET   2   4.645   0.517   8.398
  161   2HE   MET  23          3HE       MET   2   3.947   0.706  10.039
  162   3HE   MET  23          1HE       MET   2   3.158  -0.375   8.848
  163    H    ARG  24           H        ARG   2   5.414   0.967   5.428
  164    HA   ARG  24           HA       ARG   2   8.020   2.083   4.360
  165   1HB   ARG  24          1HB       ARG   2   7.711   0.092   5.961
  166   2HB   ARG  24          2HB       ARG   2   7.237  -0.847   4.567
  167   1HG   ARG  24          1HG       ARG   2   9.451  -0.173   3.451
  168   2HG   ARG  24          2HG       ARG   2   9.863   0.762   4.897
  169   1HD   ARG  24          1HD       ARG   2   9.702  -1.325   6.300
  170   2HD   ARG  24          2HD       ARG   2   9.288  -2.266   4.845
  171   1HH1  ARG  24          2HH1      ARG   2  10.358  -3.316   6.310
  172   2HH1  ARG  24          1HH1      ARG   2  11.942  -4.231   6.451
  173   1HH2  ARG  24          1HH2      ARG   2  13.643  -1.944   4.488
  174   2HH2  ARG  24          2HH2      ARG   2  13.711  -3.493   5.470
  175    H    PHE  25           H        PHE   2   7.298  -0.456   2.751
  176    HA   PHE  25           HA       PHE   2   6.695   1.197   0.270
  177   1HB   PHE  25          1HB       PHE   2   6.864  -1.851   0.264
  178   2HB   PHE  25          2HB       PHE   2   7.120  -0.749  -1.086
  179    HD1  PHE  25           HD1      PHE   2   9.040   0.993  -0.729
  180    HD2  PHE  25           HD2      PHE   2   8.720  -2.587   1.428
  181    HE1  PHE  25           HE1      PHE   2  11.403   1.091  -0.217
  182    HE2  PHE  25           HE2      PHE   2  11.083  -2.489   1.940
  183    HZ   PHE  25           HZ       PHE   2  12.425  -0.651   1.118
  184    H    GLY  26           H        GLY   2   5.128   0.117  -1.255
  185   1HA   GLY  26          1HA       GLY   2   2.501  -0.355   0.296
  186   2HA   GLY  26          2HA       GLY   2   2.580   0.546  -1.205
  187    H    LYS  27           H        LYS   2   2.101  -2.449   0.214
  188    HA   LYS  27           HA       LYS   2   2.789  -3.956  -2.407
  189   1HB   LYS  27          1HB       LYS   2   2.287  -5.023   0.404
  190   2HB   LYS  27          2HB       LYS   2   2.216  -6.023  -1.051
  191   1HG   LYS  27          1HG       LYS   2   4.521  -5.258  -1.704
  192   2HG   LYS  27          2HG       LYS   2   4.630  -4.303  -0.217
  193   1HD   LYS  27          1HD       LYS   2   4.431  -6.343   1.176
  194   2HD   LYS  27          2HD       LYS   2   4.028  -7.325  -0.239
  195   1HE   LYS  27          1HE       LYS   2   6.407  -7.669   0.368
  196   2HE   LYS  27          2HE       LYS   2   6.288  -6.909  -1.229
  197   1HZ   LYS  27          1HZ       LYS   2   7.928  -5.837   0.181
  198   2HZ   LYS  27          2HZ       LYS   2   6.817  -5.500   1.332
  199    H    CYS  28           H        CYS   2   1.212  -3.770  -3.796
  200    HA   CYS  28           HA       CYS   2  -1.551  -3.393  -2.875
  201   1HB   CYS  28          1HB       CYS   2  -0.844  -2.489  -5.051
  202   2HB   CYS  28          2HB       CYS   2  -0.580  -4.131  -5.680
  203    H    MET  29           H        MET   2  -3.121  -4.769  -2.638
  204    HA   MET  29           HA       MET   2  -2.887  -7.598  -3.465
  205   1HB   MET  29          1HB       MET   2  -1.281  -7.477  -1.479
  206   2HB   MET  29          2HB       MET   2  -2.642  -7.034  -0.443
  207   1HG   MET  29          1HG       MET   2  -3.788  -9.217  -0.991
  208   2HG   MET  29          2HG       MET   2  -2.469  -9.632  -2.108
  209   1HE   MET  29          3HE       MET   2  -2.111 -11.904  -0.844
  210   2HE   MET  29          2HE       MET   2  -1.869 -12.045   0.924
  211   3HE   MET  29          1HE       MET   2  -3.441 -11.483   0.279
  212    H    ASN  30           H        ASN   3  -4.767  -8.446  -3.621
  213    HA   ASN  30           HA       ASN   3  -7.123  -8.669  -3.613
  214   1HB   ASN  30          1HB       ASN   3  -6.448  -9.245  -1.210
  215   2HB   ASN  30          2HB       ASN   3  -6.938  -7.611  -0.739
  216   1HD2  ASN  30          2HD2      ASN   3  -9.801 -10.370  -1.918
  217   2HD2  ASN  30          1HD2      ASN   3  -8.047 -10.520  -2.436
  218    H    ARG  31           H        ARG   3  -6.247  -6.425  -4.782
  219    HA   ARG  31           HA       ARG   3  -6.956  -4.365  -5.603
  220   1HB   ARG  31          1HB       ARG   3  -9.640  -4.987  -4.267
  221   2HB   ARG  31          2HB       ARG   3  -9.370  -3.793  -5.532
  222   1HG   ARG  31          1HG       ARG   3  -8.997  -6.845  -5.868
  223   2HG   ARG  31          2HG       ARG   3 -10.400  -5.912  -6.369
  224   1HD   ARG  31          1HD       ARG   3  -8.885  -4.504  -7.901
  225   2HD   ARG  31          2HD       ARG   3  -7.554  -5.542  -7.441
  226   1HH1  ARG  31          2HH2      ARG   3 -10.812  -4.821  -8.446
  227   2HH1  ARG  31          1HH2      ARG   3 -11.856  -5.605  -9.734
  228   1HH2  ARG  31          2HH1      ARG   3  -9.635  -8.191 -10.251
  229   2HH2  ARG  31          1HH1      ARG   3 -11.229  -7.399 -10.694
  230    H    LYS  32           H        LYS   3  -5.838  -4.412  -2.808
  231    HA   LYS  32           HA       LYS   3  -6.465  -1.478  -2.339
  232   1HB   LYS  32          1HB       LYS   3  -6.999  -3.749  -0.334
  233   2HB   LYS  32          2HB       LYS   3  -6.566  -2.129   0.215
  234   1HG   LYS  32          1HG       LYS   3  -8.546  -1.169  -1.032
  235   2HG   LYS  32          2HG       LYS   3  -9.035  -2.814  -1.476
  236   1HD   LYS  32          1HD       LYS   3  -9.152  -3.442   0.963
  237   2HD   LYS  32          2HD       LYS   3  -8.668  -1.798   1.410
  238   1HE   LYS  32          1HE       LYS   3 -10.704  -0.876   0.229
  239   2HE   LYS  32          2HE       LYS   3 -11.189  -2.523  -0.219
  240   1HZ   LYS  32          1HZ       LYS   3 -11.312  -3.085   2.122
  241   2HZ   LYS  32          2HZ       LYS   3 -12.295  -1.823   1.784
  242    H    CYS  33           H        CYS   3  -4.643  -0.438  -1.427
  243    HA   CYS  33           HA       CYS   3  -2.235  -1.908  -1.321
  244   1HB   CYS  33          2HB       CYS   3  -2.927   0.730   0.024
  245   2HB   CYS  33          1HB       CYS   3  -1.297   0.216  -0.458
  246    H    HIS  34           H        HIS   3  -1.391  -3.047   0.025
  247    HA   HIS  34           HA       HIS   3  -2.205  -3.047   2.986
  248   1HB   HIS  34          1HB       HIS   3  -1.284  -5.419   1.237
  249   2HB   HIS  34          2HB       HIS   3  -1.091  -5.402   2.993
  250    HD2  HIS  34           HD2      HIS   3  -3.956  -5.064   0.364
  251    HE1  HIS  34           HE1      HIS   3  -5.625  -6.730   3.773
  252    HE2  HIS  34           HE2      HIS   3  -6.200  -6.082   1.360
  253    H    CYS  35           H        CYS   3  -0.567  -1.749   3.712
  254    HA   CYS  35           HA       CYS   3   1.940  -1.605   2.075
  255   1HB   CYS  35          2HB       CYS   3   1.766  -0.492   4.871
  256   2HB   CYS  35          1HB       CYS   3   2.811  -0.064   3.489
  257    H    THR  36           H        THR   3   4.021  -1.671   3.516
  258    HA   THR  36           HA       THR   3   4.120  -4.590   4.380
  259    HB   THR  36           HB       THR   3   6.334  -2.665   3.580
  260    HG1  THR  36           HG1      THR   3   4.877  -3.292   1.965
  261   1HG2  THR  36          3HG2      THR   3   6.328  -5.701   4.159
  262   2HG2  THR  36          2HG2      THR   3   7.692  -4.794   3.456
  263   3HG2  THR  36          1HG2      THR   3   7.175  -4.462   5.127
  264    HA   PRO  37           HA       PRO   3   4.579  -2.058   8.339
  265   1HB   PRO  37          1HB       PRO   3   4.946  -4.814   9.590
  266   2HB   PRO  37          2HB       PRO   3   3.984  -3.448  10.217
  267   1HG   PRO  37          1HG       PRO   3   2.683  -5.481   8.991
  268   2HG   PRO  37          2HG       PRO   3   2.252  -3.807   8.539
  269   1HD   PRO  37          1HD       PRO   3   4.086  -5.734   7.015
  270   2HD   PRO  37          2HD       PRO   3   2.791  -4.668   6.379
  271    H    LYS  38           H        LYS   3   6.409  -1.092   8.745
  272    HA   LYS  38           HA       LYS   3   8.992  -2.401   8.218
  273   1HB   LYS  38          1HB       LYS   3   8.549   0.096   8.067
  274   2HB   LYS  38          2HB       LYS   3   8.422   0.167   9.828
  275   1HG   LYS  38          1HG       LYS   3  10.794  -0.652  10.045
  276   2HG   LYS  38          2HG       LYS   3  10.895  -0.840   8.286
  277   1HD   LYS  38          1HD       LYS   3  10.495   1.629   7.994
  278   2HD   LYS  38          2HD       LYS   3  10.286   1.812   9.740
  279   1HE   LYS  38          1HE       LYS   3  12.571   2.492   9.162
  280   2HE   LYS  38          2HE       LYS   3  12.658   0.994  10.106
  281   1HZ   LYS  38          1HZ       LYS   3  14.064   0.934   8.141
  282   2HZ   LYS  38          2HZ       LYS   3  12.795   1.201   7.144
  283    HXT  LYS  38           HO       OH    3   8.114  -2.443  12.192
   
  No H/Q in entry =         283
  Start of MODEL    6
    1   1H    GLY   1          1H        GLY   1   1.163  -6.837   9.782
    2   2H    GLY   1          2H        GLY   1   1.946  -5.450   9.411
    3   1HA   GLY   1          1HA       GLY   1   1.405  -5.699   7.044
    4   2HA   GLY   1          2HA       GLY   1   0.558  -7.204   7.453
    5    H    VAL   2           H        VAL   2   0.015  -4.142   6.698
    6    HA   VAL   2           HA       VAL   2  -2.667  -4.226   7.964
    7    HB   VAL   2           HB       VAL   2  -1.225  -3.330   9.797
    8   1HG1  VAL   2          2HG1      VAL   2   0.383  -2.002   8.355
    9   2HG1  VAL   2          1HG1      VAL   2  -0.915  -0.833   8.024
   10   3HG1  VAL   2          3HG1      VAL   2  -0.312  -1.043   9.692
   11   1HG2  VAL   2          3HG2      VAL   2  -3.652  -2.789   9.658
   12   2HG2  VAL   2          2HG2      VAL   2  -2.726  -1.429  10.354
   13   3HG2  VAL   2          1HG2      VAL   2  -3.284  -1.352   8.658
   14    H    GLU   3           H        GLU   3  -4.040  -3.511   6.662
   15    HA   GLU   3           HA       GLU   3  -3.087  -2.074   4.161
   16   1HB   GLU   3          1HB       GLU   3  -5.202  -2.748   3.175
   17   2HB   GLU   3          2HB       GLU   3  -4.352  -4.131   3.860
   18   1HG   GLU   3          1HG       GLU   3  -5.877  -4.080   5.886
   19   2HG   GLU   3          2HG       GLU   3  -6.732  -2.684   5.207
   20    HE2  GLU   3           HE2      GLU   3  -7.151  -5.537   5.772
   21    H    ILE   4           H        ILE   4  -3.722  -0.172   3.497
   22    HA   ILE   4           HA       ILE   4  -5.162   1.546   5.548
   23    HB   ILE   4           HB       ILE   4  -4.640   3.449   4.053
   24   1HG1  ILE   4          1HG1      ILE   4  -2.954   1.439   2.430
   25   2HG1  ILE   4          2HG1      ILE   4  -4.481   2.143   1.885
   26   1HG2  ILE   4          2HG2      ILE   4  -3.204   2.624   5.988
   27   2HG2  ILE   4          3HG2      ILE   4  -2.187   1.745   4.818
   28   3HG2  ILE   4          1HG2      ILE   4  -2.271   3.526   4.781
   29   1HD1  ILE   4          2HD1      ILE   4  -3.413   4.482   2.170
   30   2HD1  ILE   4          1HD1      ILE   4  -1.865   3.668   2.491
   31   3HD1  ILE   4          3HD1      ILE   4  -2.660   3.463   0.914
   32    H    ASN   5           H        ASN   5  -6.787   3.122   4.232
   33    HA   ASN   5           HA       ASN   5  -8.751   1.167   3.019
   34   1HB   ASN   5          1HB       ASN   5 -10.454   2.819   3.454
   35   2HB   ASN   5          2HB       ASN   5  -9.452   2.652   4.898
   36   1HD2  ASN   5          1HD2      ASN   5 -10.001   6.281   4.300
   37   2HD2  ASN   5          2HD2      ASN   5 -11.002   4.780   4.633
   38    H    VAL   6           H        VAL   6  -6.543   2.228   1.519
   39    HA   VAL   6           HA       VAL   6  -8.018   3.769  -0.706
   40    HB   VAL   6           HB       VAL   6  -5.031   3.250  -0.563
   41   1HG1  VAL   6          2HG1      VAL   6  -5.921   3.843  -2.817
   42   2HG1  VAL   6          3HG1      VAL   6  -6.716   5.289  -2.138
   43   3HG1  VAL   6          1HG1      VAL   6  -4.936   5.180  -2.167
   44   1HG2  VAL   6          1HG2      VAL   6  -6.630   5.713   0.422
   45   2HG2  VAL   6          2HG2      VAL   6  -5.533   4.719   1.418
   46   3HG2  VAL   6          3HG2      VAL   6  -4.877   5.733   0.121
   47    H    LYS   7           H        LYS   7  -8.298   2.831  -2.562
   48    HA   LYS   7           HA       LYS   7  -7.709  -0.173  -2.722
   49   1HB   LYS   7          1HB       LYS   7  -9.318  -0.281  -4.571
   50   2HB   LYS   7          2HB       LYS   7 -10.064   0.350  -3.105
   51   1HG   LYS   7          1HG       LYS   7  -9.884   2.704  -4.018
   52   2HG   LYS   7          2HG       LYS   7  -9.121   2.066  -5.485
   53   1HD   LYS   7          1HD       LYS   7 -11.155   0.648  -5.925
   54   2HD   LYS   7          2HD       LYS   7 -11.916   1.283  -4.458
   55   1HE   LYS   7          1HE       LYS   7 -11.764   3.628  -5.391
   56   2HE   LYS   7          2HE       LYS   7 -11.000   2.992  -6.861
   57   1HZ   LYS   7          1HZ       LYS   7 -13.388   3.276  -7.112
   58   2HZ   LYS   7          2HZ       LYS   7 -13.704   2.277  -5.857
   59    H    CYS   8           H        CYS   8  -6.138  -0.841  -4.028
   60    HA   CYS   8           HA       CYS   8  -4.606   1.323  -5.535
   61   1HB   CYS   8          1HB       CYS   8  -2.773  -0.075  -5.549
   62   2HB   CYS   8          2HB       CYS   8  -3.542  -0.561  -4.034
   63    H    SER   9           H        SER   9  -3.571   0.761  -7.338
   64    HA   SER   9           HA       SER   9  -5.464  -0.419  -9.453
   65   1HB   SER   9          1HB       SER   9  -4.662   1.941  -9.861
   66   2HB   SER   9          2HB       SER   9  -2.978   1.382  -9.789
   67    HG   SER   9           HG       SER   9  -4.981   0.474 -11.592
   68    H    GLY  10           H        GLY   1  -2.414  -0.489  -7.864
   69   1HA   GLY  10          1HA       GLY   1  -1.903  -3.323  -8.356
   70   2HA   GLY  10          2HA       GLY   1  -0.979  -2.352  -9.551
   71    H    SER  11           H        SER   1   0.715  -3.546  -8.093
   72    HA   SER  11           HA       SER   1   1.188  -2.328  -5.480
   73   1HB   SER  11          1HB       SER   1   3.355  -3.401  -5.421
   74   2HB   SER  11          2HB       SER   1   2.040  -4.485  -5.870
   75    HG   SER  11           HG       SER   1   3.872  -4.756  -7.183
   76    HA   PRO  12           HA       PRO   1   4.150   0.897  -7.103
   77   1HB   PRO  12          1HB       PRO   1   2.923   1.590  -9.819
   78   2HB   PRO  12          2HB       PRO   1   4.596   1.892  -9.264
   79   1HG   PRO  12          1HG       PRO   1   4.154  -0.279 -10.805
   80   2HG   PRO  12          2HG       PRO   1   5.109  -0.498  -9.309
   81   1HD   PRO  12          1HD       PRO   1   2.152  -1.137  -9.754
   82   2HD   PRO  12          2HD       PRO   1   3.399  -2.107  -8.932
   83    H    GLN  13           H        GLN   1   0.724   0.851  -7.776
   84    HA   GLN  13           HA       GLN   1   0.374   3.771  -7.169
   85   1HB   GLN  13          1HB       GLN   1  -1.032   2.531  -8.862
   86   2HB   GLN  13          2HB       GLN   1  -1.633   1.467  -7.592
   87   1HG   GLN  13          1HG       GLN   1  -3.306   3.195  -8.099
   88   2HG   GLN  13          2HG       GLN   1  -2.733   3.420  -6.447
   89   1HE2  GLN  13          2HE2      GLN   1  -2.167   6.320  -9.263
   90   2HE2  GLN  13          1HE2      GLN   1  -2.958   4.701  -9.612
   91    H    CYS  14           H        CYS   1   0.769   0.874  -5.467
   92    HA   CYS  14           HA       CYS   1  -0.941   1.600  -3.079
   93   1HB   CYS  14          1HB       CYS   1  -0.475  -0.805  -3.641
   94   2HB   CYS  14          2HB       CYS   1   1.251  -0.570  -3.590
   95    H    LEU  15           H        LEU   1   2.277   1.333  -4.254
   96    HA   LEU  15           HA       LEU   1   3.924   2.063  -2.075
   97   1HB   LEU  15          1HB       LEU   1   4.667   1.126  -4.272
   98   2HB   LEU  15          2HB       LEU   1   4.261   2.628  -5.083
   99    HG   LEU  15           HG       LEU   1   6.048   3.828  -3.717
  100   1HD1  LEU  15          2HD1      LEU   1   6.719   0.951  -2.807
  101   2HD1  LEU  15          3HD1      LEU   1   7.745   2.386  -2.544
  102   3HD1  LEU  15          1HD1      LEU   1   6.157   2.268  -1.742
  103   1HD2  LEU  15          2HD2      LEU   1   6.469   2.929  -6.011
  104   2HD2  LEU  15          3HD2      LEU   1   7.927   2.799  -4.991
  105   3HD2  LEU  15          1HD2      LEU   1   6.934   1.352  -5.317
  106    H    LYS  16           H        LYS   1   2.802   4.131  -4.586
  107    HA   LYS  16           HA       LYS   1   3.967   6.604  -3.677
  108   1HB   LYS  16          1HB       LYS   1   3.083   6.284  -5.941
  109   2HB   LYS  16          2HB       LYS   1   1.425   6.352  -5.329
  110   1HG   LYS  16          1HG       LYS   1   1.836   8.672  -4.438
  111   2HG   LYS  16          2HG       LYS   1   3.520   8.591  -4.983
  112   1HD   LYS  16          1HD       LYS   1   2.732   8.280  -7.361
  113   2HD   LYS  16          2HD       LYS   1   1.049   8.357  -6.814
  114   1HE   LYS  16          1HE       LYS   1   1.451  10.679  -5.897
  115   2HE   LYS  16          2HE       LYS   1   3.137  10.602  -6.446
  116   1HZ   LYS  16          1HZ       LYS   1   1.762  11.708  -8.062
  117   2HZ   LYS  16          2HZ       LYS   1   2.350  10.325  -8.707
  118    HA   PRO  17           HA       PRO   1   0.617   8.065  -0.875
  119   1HB   PRO  17          1HB       PRO   1  -1.410   6.398   0.136
  120   2HB   PRO  17          2HB       PRO   1  -1.581   7.466  -1.277
  121   1HG   PRO  17          1HG       PRO   1  -0.964   4.481  -1.259
  122   2HG   PRO  17          2HG       PRO   1  -2.123   5.356  -2.300
  123   1HD   PRO  17          1HD       PRO   1   0.408   4.708  -3.231
  124   2HD   PRO  17          2HD       PRO   1  -0.340   6.262  -3.659
  125    H    CYS  18           H        CYS   1   1.269   4.618  -0.475
  126    HA   CYS  18           HA       CYS   1   1.435   4.501   2.411
  127   1HB   CYS  18          1HB       CYS   1   2.392   2.722   0.194
  128   2HB   CYS  18          2HB       CYS   1   3.245   2.593   1.749
  129    H    LYS  19           H        LYS   1   3.957   5.310   0.101
  130    HA   LYS  19           HA       LYS   1   5.921   5.507   2.360
  131   1HB   LYS  19          1HB       LYS   1   6.479   4.774   0.008
  132   2HB   LYS  19          2HB       LYS   1   6.194   6.415  -0.575
  133   1HG   LYS  19          1HG       LYS   1   8.011   7.291   0.914
  134   2HG   LYS  19          2HG       LYS   1   8.287   5.676   1.576
  135   1HD   LYS  19          1HD       LYS   1   8.564   6.384  -1.415
  136   2HD   LYS  19          2HD       LYS   1   9.897   6.466  -0.260
  137   1HE   LYS  19          1HE       LYS   1   9.566   4.009   0.291
  138   2HE   LYS  19          2HE       LYS   1   8.322   3.913  -0.970
  139   1HZ   LYS  19          1HZ       LYS   1  11.123   4.789  -1.408
  140   2HZ   LYS  19          2HZ       LYS   1   9.975   4.705  -2.568
  141    H    ASP  20           H        ASP   2   3.604   7.590   0.999
  142    HA   ASP  20           HA       ASP   2   5.033  10.067   1.914
  143   1HB   ASP  20          1HB       ASP   2   2.210   9.732   0.743
  144   2HB   ASP  20          2HB       ASP   2   3.011  11.284   1.046
  145    HD2  ASP  20           HD2      ASP   2   3.364  10.182  -2.464
  146    H    ALA  21           H        ALA   2   3.020   7.815   2.833
  147    HA   ALA  21           HA       ALA   2   1.599   9.297   5.061
  148   1HB   ALA  21          1HB       ALA   2   1.753   6.245   4.543
  149   2HB   ALA  21          2HB       ALA   2   0.691   7.030   5.739
  150   3HB   ALA  21          3HB       ALA   2   0.437   7.314   3.999
  151    H    GLY  22           H        GLY   2   3.867   6.606   4.837
  152   1HA   GLY  22          1HA       GLY   2   6.052   7.399   6.336
  153   2HA   GLY  22          2HA       GLY   2   4.875   7.215   7.650
  154    H    MET  23           H        MET   2   4.424   5.164   4.979
  155    HA   MET  23           HA       MET   2   5.141   2.795   6.747
  156   1HB   MET  23          1HB       MET   2   3.513   3.020   4.139
  157   2HB   MET  23          2HB       MET   2   3.830   1.514   4.952
  158   1HG   MET  23          1HG       MET   2   2.920   2.887   7.139
  159   2HG   MET  23          2HG       MET   2   2.142   3.880   5.894
  160   1HE   MET  23          2HE       MET   2   2.442   0.687   7.864
  161   2HE   MET  23          1HE       MET   2   1.455  -0.548   7.006
  162   3HE   MET  23          3HE       MET   2   3.028  -0.051   6.352
  163    H    ARG  24           H        ARG   2   5.771   0.854   5.124
  164    HA   ARG  24           HA       ARG   2   8.476   1.803   4.059
  165   1HB   ARG  24          1HB       ARG   2   8.183   0.111   5.946
  166   2HB   ARG  24          2HB       ARG   2   7.678  -1.051   4.742
  167   1HG   ARG  24          1HG       ARG   2   9.882  -0.635   3.505
  168   2HG   ARG  24          2HG       ARG   2  10.325   0.556   4.739
  169   1HD   ARG  24          1HD       ARG   2  10.147  -1.226   6.519
  170   2HD   ARG  24          2HD       ARG   2   9.733  -2.423   5.267
  171   1HH1  ARG  24          1HH2      ARG   2  10.799  -3.181   6.904
  172   2HH1  ARG  24          2HH2      ARG   2  12.381  -4.056   7.218
  173   1HH2  ARG  24          1HH1      ARG   2  14.090  -2.180   4.864
  174   2HH2  ARG  24          2HH1      ARG   2  14.153  -3.517   6.120
  175    H    PHE  25           H        PHE   2   7.781  -0.986   2.857
  176    HA   PHE  25           HA       PHE   2   7.288   0.198   0.138
  177   1HB   PHE  25          1HB       PHE   2   6.992  -2.774   0.455
  178   2HB   PHE  25          2HB       PHE   2   7.754  -1.866  -0.841
  179    HD1  PHE  25           HD2      PHE   2   9.910  -0.584  -0.207
  180    HD2  PHE  25           HD1      PHE   2   8.345  -3.711   2.104
  181    HE1  PHE  25           HE2      PHE   2  12.087  -0.936   0.790
  182    HE2  PHE  25           HE1      PHE   2  10.521  -4.062   3.101
  183    HZ   PHE  25           HZ       PHE   2  12.392  -2.676   2.444
  184    H    GLY  26           H        GLY   2   5.704  -0.635  -1.287
  185   1HA   GLY  26          1HA       GLY   2   2.938  -0.832   0.097
  186   2HA   GLY  26          2HA       GLY   2   3.198   0.037  -1.399
  187    H    LYS  27           H        LYS   2   2.424  -2.885   0.026
  188    HA   LYS  27           HA       LYS   2   3.046  -4.468  -2.571
  189   1HB   LYS  27          1HB       LYS   2   2.999  -5.296   0.307
  190   2HB   LYS  27          2HB       LYS   2   2.126  -6.347  -0.814
  191   1HG   LYS  27          1HG       LYS   2   4.387  -7.160  -0.716
  192   2HG   LYS  27          2HG       LYS   2   4.169  -6.427  -2.308
  193   1HD   LYS  27          1HD       LYS   2   5.354  -4.346  -1.521
  194   2HD   LYS  27          2HD       LYS   2   5.435  -5.001   0.120
  195   1HE   LYS  27          1HE       LYS   2   7.604  -5.358  -0.975
  196   2HE   LYS  27          2HE       LYS   2   6.834  -6.935  -0.723
  197   1HZ   LYS  27          1HZ       LYS   2   6.754  -5.378  -3.254
  198   2HZ   LYS  27          2HZ       LYS   2   6.043  -6.832  -3.027
  199    H    CYS  28           H        CYS   2   1.298  -4.179  -3.888
  200    HA   CYS  28           HA       CYS   2  -1.349  -3.758  -2.606
  201   1HB   CYS  28          1HB       CYS   2  -0.918  -2.709  -4.788
  202   2HB   CYS  28          2HB       CYS   2  -1.066  -4.313  -5.568
  203    H    MET  29           H        MET   2  -2.842  -5.120  -2.217
  204    HA   MET  29           HA       MET   2  -2.725  -7.963  -3.302
  205   1HB   MET  29          1HB       MET   2  -1.419  -7.880  -1.107
  206   2HB   MET  29          2HB       MET   2  -2.887  -7.326  -0.289
  207   1HG   MET  29          1HG       MET   2  -4.080  -9.447  -1.007
  208   2HG   MET  29          2HG       MET   2  -2.614  -9.977  -1.857
  209   1HE   MET  29          2HE       MET   2  -4.116 -11.689   0.354
  210   2HE   MET  29          3HE       MET   2  -2.638 -12.226  -0.502
  211   3HE   MET  29          1HE       MET   2  -2.725 -12.326   1.283
  212    H    ASN  30           H        ASN   3  -4.582  -8.579  -3.859
  213    HA   ASN  30           HA       ASN   3  -6.854  -8.507  -4.405
  214   1HB   ASN  30          1HB       ASN   3  -8.403  -8.903  -2.647
  215   2HB   ASN  30          2HB       ASN   3  -6.894  -9.717  -2.256
  216   1HD2  ASN  30          1HD2      ASN   3  -6.454  -8.020   0.809
  217   2HD2  ASN  30          2HD2      ASN   3  -5.785  -9.169  -0.456
  218    H    ARG  31           H        ARG   3  -5.795  -6.192  -5.009
  219    HA   ARG  31           HA       ARG   3  -6.364  -3.979  -5.603
  220   1HB   ARG  31          1HB       ARG   3  -9.220  -4.849  -4.914
  221   2HB   ARG  31          2HB       ARG   3  -8.771  -3.361  -5.757
  222   1HG   ARG  31          1HG       ARG   3  -7.628  -4.743  -7.555
  223   2HG   ARG  31          2HG       ARG   3  -8.174  -6.222  -6.748
  224   1HD   ARG  31          1HD       ARG   3 -10.565  -5.468  -6.966
  225   2HD   ARG  31          2HD       ARG   3 -10.018  -3.983  -7.783
  226   1HH1  ARG  31          1HH1      ARG   3 -11.887  -4.703  -8.401
  227   2HH1  ARG  31          2HH1      ARG   3 -12.690  -5.261  -9.954
  228   1HH2  ARG  31          2HH2      ARG   3  -9.846  -6.906 -11.043
  229   2HH2  ARG  31          1HH2      ARG   3 -11.591  -6.447 -11.376
  230    H    LYS  32           H        LYS   3  -5.499  -4.482  -2.926
  231    HA   LYS  32           HA       LYS   3  -6.429  -1.799  -1.802
  232   1HB   LYS  32          1HB       LYS   3  -6.188  -4.463  -0.266
  233   2HB   LYS  32          2HB       LYS   3  -6.315  -2.886   0.514
  234   1HG   LYS  32          1HG       LYS   3  -8.481  -4.095  -1.303
  235   2HG   LYS  32          2HG       LYS   3  -8.476  -4.185   0.463
  236   1HD   LYS  32          1HD       LYS   3  -8.394  -1.636   0.562
  237   2HD   LYS  32          2HD       LYS   3  -8.598  -1.592  -1.195
  238   1HE   LYS  32          1HE       LYS   3 -10.558  -2.928   0.778
  239   2HE   LYS  32          2HE       LYS   3 -10.780  -1.329   0.045
  240   1HZ   LYS  32          1HZ       LYS   3 -10.514  -3.869  -1.471
  241   2HZ   LYS  32          2HZ       LYS   3 -10.717  -2.392  -2.142
  242    H    CYS  33           H        CYS   3  -4.771  -0.743  -0.797
  243    HA   CYS  33           HA       CYS   3  -2.080  -1.786  -1.332
  244   1HB   CYS  33          2HB       CYS   3  -3.019   0.501  -1.430
  245   2HB   CYS  33          1HB       CYS   3  -3.110   0.554   0.351
  246    H    HIS  34           H        HIS   3  -1.135  -2.969  -0.213
  247    HA   HIS  34           HA       HIS   3  -1.663  -3.432   2.777
  248   1HB   HIS  34          1HB       HIS   3  -1.089  -5.663   0.752
  249   2HB   HIS  34          2HB       HIS   3  -0.671  -5.794   2.455
  250    HD2  HIS  34           HD2      HIS   3  -3.947  -4.597   0.587
  251    HE1  HIS  34           HE1      HIS   3  -5.033  -7.359   3.497
  252    HE2  HIS  34           HE2      HIS   3  -6.022  -5.873   1.645
  253    H    CYS  35           H        CYS   3  -0.128  -2.003   3.312
  254    HA   CYS  35           HA       CYS   3   2.632  -2.306   2.072
  255   1HB   CYS  35          2HB       CYS   3   1.656  -0.293   4.130
  256   2HB   CYS  35          1HB       CYS   3   3.118  -0.246   3.088
  257    H    THR  36           H        THR   3   4.445  -2.060   3.635
  258    HA   THR  36           HA       THR   3   4.201  -4.420   5.541
  259    HB   THR  36           HB       THR   3   6.602  -2.994   4.352
  260    HG1  THR  36           HG1      THR   3   5.308  -5.464   3.867
  261   1HG2  THR  36          1HG2      THR   3   6.366  -5.568   6.044
  262   2HG2  THR  36          3HG2      THR   3   7.824  -5.066   5.151
  263   3HG2  THR  36          2HG2      THR   3   7.244  -4.085   6.515
  264    HA   PRO  37           HA       PRO   3   4.638  -0.570   8.343
  265   1HB   PRO  37          1HB       PRO   3   3.581  -1.608  10.693
  266   2HB   PRO  37          2HB       PRO   3   2.555  -1.007   9.365
  267   1HG   PRO  37          1HG       PRO   3   3.375  -3.905   9.906
  268   2HG   PRO  37          2HG       PRO   3   1.731  -3.281   9.635
  269   1HD   PRO  37          1HD       PRO   3   3.179  -4.391   7.565
  270   2HD   PRO  37          2HD       PRO   3   2.169  -2.935   7.260
  271    H    LYS  38           H        LYS   3   6.508  -0.183   9.257
  272    HA   LYS  38           HA       LYS   3   8.346  -2.431   9.806
  273   1HB   LYS  38          1HB       LYS   3   9.974  -0.728  10.538
  274   2HB   LYS  38          2HB       LYS   3   9.241  -0.286   8.997
  275   1HG   LYS  38          1HG       LYS   3   7.690   1.326  10.192
  276   2HG   LYS  38          2HG       LYS   3   8.428   0.883  11.740
  277   1HD   LYS  38          1HD       LYS   3  10.676   1.617  10.878
  278   2HD   LYS  38          2HD       LYS   3   9.938   2.059   9.330
  279   1HE   LYS  38          1HE       LYS   3   8.420   3.695  10.519
  280   2HE   LYS  38          2HE       LYS   3   9.160   3.251  12.070
  281   1HZ   LYS  38          1HZ       LYS   3  11.292   3.992  11.224
  282   2HZ   LYS  38          2HZ       LYS   3  10.198   5.204  11.157
  283    HXT  LYS  38           HO       OH    3   6.164  -0.593  11.473
   
  No H/Q in entry =         283
  Start of MODEL    7
    1   1H    GLY   1          1H        GLY   1  -2.344   1.837   9.289
    2   2H    GLY   1          2H        GLY   1  -0.831   2.363   9.618
    3   1HA   GLY   1          1HA       GLY   1  -0.785   0.964   7.674
    4   2HA   GLY   1          2HA       GLY   1   0.143   0.234   9.005
    5    H    VAL   2           H        VAL   2  -0.396  -1.637   7.522
    6    HA   VAL   2           HA       VAL   2  -1.384  -3.759   7.434
    7    HB   VAL   2           HB       VAL   2  -3.113  -2.973   9.837
    8   1HG1  VAL   2          2HG2      VAL   2  -2.379  -5.686   8.554
    9   2HG1  VAL   2          1HG2      VAL   2  -3.291  -5.483  10.072
   10   3HG1  VAL   2          3HG2      VAL   2  -3.995  -4.927   8.532
   11   1HG2  VAL   2          1HG1      VAL   2  -0.395  -4.430   9.668
   12   2HG2  VAL   2          2HG1      VAL   2  -0.706  -2.871  10.482
   13   3HG2  VAL   2          3HG1      VAL   2  -1.421  -4.367  11.123
   14    H    GLU   3           H        GLU   3  -1.843  -2.458   5.646
   15    HA   GLU   3           HA       GLU   3  -3.238  -1.916   3.889
   16   1HB   GLU   3          1HB       GLU   3  -4.683  -3.508   3.384
   17   2HB   GLU   3          2HB       GLU   3  -4.269  -4.234   4.928
   18   1HG   GLU   3          1HG       GLU   3  -6.278  -3.001   5.963
   19   2HG   GLU   3          2HG       GLU   3  -6.685  -2.405   4.345
   20    HE1  GLU   3           HE2      GLU   3  -6.822  -6.412   5.077
   21    H    ILE   4           H        ILE   4  -3.841  -0.190   3.343
   22    HA   ILE   4           HA       ILE   4  -5.283   1.659   5.296
   23    HB   ILE   4           HB       ILE   4  -4.603   3.467   3.726
   24   1HG1  ILE   4          1HG1      ILE   4  -2.803   1.353   2.375
   25   2HG1  ILE   4          2HG1      ILE   4  -4.307   1.951   1.664
   26   1HG2  ILE   4          2HG2      ILE   4  -3.345   2.742   5.804
   27   2HG2  ILE   4          1HG2      ILE   4  -2.308   1.702   4.795
   28   3HG2  ILE   4          3HG2      ILE   4  -2.269   3.475   4.594
   29   1HD1  ILE   4          2HD1      ILE   4  -3.383   4.322   1.768
   30   2HD1  ILE   4          1HD1      ILE   4  -1.838   3.668   2.378
   31   3HD1  ILE   4          3HD1      ILE   4  -2.408   3.229   0.752
   32    H    ASN   5           H        ASN   5  -6.836   3.166   4.171
   33    HA   ASN   5           HA       ASN   5  -8.791   1.390   2.708
   34   1HB   ASN   5          1HB       ASN   5  -9.422   2.863   4.666
   35   2HB   ASN   5          2HB       ASN   5  -9.110   4.286   3.661
   36   1HD2  ASN   5          1HD2      ASN   5 -12.328   4.149   2.259
   37   2HD2  ASN   5          2HD2      ASN   5 -10.839   5.088   2.778
   38    H    VAL   6           H        VAL   6  -7.115   1.470   0.863
   39    HA   VAL   6           HA       VAL   6  -8.126   3.541  -1.130
   40    HB   VAL   6           HB       VAL   6  -5.166   2.806  -1.054
   41   1HG1  VAL   6          2HG1      VAL   6  -6.061   3.590  -3.247
   42   2HG1  VAL   6          3HG1      VAL   6  -6.689   5.071  -2.476
   43   3HG1  VAL   6          1HG1      VAL   6  -4.931   4.790  -2.571
   44   1HG2  VAL   6          2HG2      VAL   6  -5.531   4.236   0.992
   45   2HG2  VAL   6          1HG2      VAL   6  -4.590   5.105  -0.250
   46   3HG2  VAL   6          3HG2      VAL   6  -6.321   5.476  -0.019
   47    H    LYS   7           H        LYS   7  -8.475   2.629  -2.992
   48    HA   LYS   7           HA       LYS   7  -8.024  -0.379  -3.187
   49   1HB   LYS   7          1HB       LYS   7  -9.607   1.547  -4.989
   50   2HB   LYS   7          2HB       LYS   7  -9.447  -0.191  -5.268
   51   1HG   LYS   7          1HG       LYS   7 -10.462  -0.637  -2.989
   52   2HG   LYS   7          2HG       LYS   7 -10.712   1.103  -2.769
   53   1HD   LYS   7          1HD       LYS   7 -12.063   1.166  -4.913
   54   2HD   LYS   7          2HD       LYS   7 -11.891  -0.587  -5.062
   55   1HE   LYS   7          1HE       LYS   7 -13.187   0.861  -2.661
   56   2HE   LYS   7          2HE       LYS   7 -14.080   0.115  -3.997
   57   1HZ   LYS   7          1HZ       LYS   7 -13.917  -1.385  -2.147
   58   2HZ   LYS   7          2HZ       LYS   7 -13.109  -2.011  -3.423
   59    H    CYS   8           H        CYS   8  -6.909  -1.254  -5.011
   60    HA   CYS   8           HA       CYS   8  -5.533   0.769  -6.847
   61   1HB   CYS   8          1HB       CYS   8  -3.303  -0.338  -6.358
   62   2HB   CYS   8          2HB       CYS   8  -3.972   0.603  -5.021
   63    H    SER   9           H        SER   9  -4.514   0.209  -8.474
   64    HA   SER   9           HA       SER   9  -5.497  -2.379  -9.757
   65   1HB   SER   9          1HB       SER   9  -5.943  -0.171 -10.901
   66   2HB   SER   9          2HB       SER   9  -4.198   0.122 -11.002
   67    HG   SER   9           HG       SER   9  -4.024  -1.844 -12.169
   68    H    GLY  10           H        GLY   1  -2.705  -0.700  -8.591
   69   1HA   GLY  10          1HA       GLY   1  -1.048  -3.165  -9.161
   70   2HA   GLY  10          2HA       GLY   1  -0.550  -1.713 -10.064
   71    H    SER  11           H        SER   1   0.968  -3.198  -8.278
   72    HA   SER  11           HA       SER   1   1.137  -1.898  -5.706
   73   1HB   SER  11          1HB       SER   1   3.394  -2.873  -5.470
   74   2HB   SER  11          2HB       SER   1   2.135  -4.014  -5.952
   75    HG   SER  11           HG       SER   1   4.035  -4.256  -7.162
   76    HA   PRO  12           HA       PRO   1   4.310   1.343  -6.977
   77   1HB   PRO  12          1HB       PRO   1   3.290   2.105  -9.759
   78   2HB   PRO  12          2HB       PRO   1   4.921   2.376  -9.078
   79   1HG   PRO  12          1HG       PRO   1   4.570   0.249 -10.702
   80   2HG   PRO  12          2HG       PRO   1   5.417  -0.017  -9.149
   81   1HD   PRO  12          1HD       PRO   1   2.492  -0.617  -9.815
   82   2HD   PRO  12          2HD       PRO   1   3.673  -1.621  -8.935
   83    H    GLN  13           H        GLN   1   0.936   1.393  -7.929
   84    HA   GLN  13           HA       GLN   1   0.625   4.305  -7.331
   85   1HB   GLN  13          1HB       GLN   1  -1.476   2.069  -7.634
   86   2HB   GLN  13          2HB       GLN   1  -1.855   3.785  -7.442
   87   1HG   GLN  13          1HG       GLN   1  -0.511   4.303  -9.534
   88   2HG   GLN  13          2HG       GLN   1  -0.226   2.570  -9.767
   89   1HE2  GLN  13          1HE2      GLN   1  -3.219   3.436 -11.782
   90   2HE2  GLN  13          2HE2      GLN   1  -1.434   3.856 -11.717
   91    H    CYS  14           H        CYS   1   0.669   1.320  -5.581
   92    HA   CYS  14           HA       CYS   1  -0.821   2.349  -3.158
   93   1HB   CYS  14          2HB       CYS   1   0.936  -0.139  -3.722
   94   2HB   CYS  14          1HB       CYS   1   0.280   0.250  -2.128
   95    H    LEU  15           H        LEU   1   2.431   1.844  -4.388
   96    HA   LEU  15           HA       LEU   1   3.724   2.340  -1.908
   97   1HB   LEU  15          1HB       LEU   1   4.730   1.304  -3.996
   98   2HB   LEU  15          2HB       LEU   1   4.687   2.872  -4.797
   99    HG   LEU  15           HG       LEU   1   6.315   3.776  -3.078
  100   1HD1  LEU  15          3HD1      LEU   1   6.397   0.808  -2.211
  101   2HD1  LEU  15          2HD1      LEU   1   7.575   2.044  -1.706
  102   3HD1  LEU  15          1HD1      LEU   1   5.871   2.176  -1.194
  103   1HD2  LEU  15          1HD2      LEU   1   7.053   2.894  -5.300
  104   2HD2  LEU  15          3HD2      LEU   1   8.266   2.540  -4.040
  105   3HD2  LEU  15          2HD2      LEU   1   7.177   1.250  -4.618
  106    H    LYS  16           H        LYS   1   2.971   4.532  -4.581
  107    HA   LYS  16           HA       LYS   1   4.231   6.896  -3.631
  108   1HB   LYS  16          1HB       LYS   1   1.653   6.715  -5.239
  109   2HB   LYS  16          2HB       LYS   1   2.505   8.218  -4.874
  110   1HG   LYS  16          1HG       LYS   1   4.595   7.313  -5.975
  111   2HG   LYS  16          2HG       LYS   1   3.764   5.793  -6.317
  112   1HD   LYS  16          1HD       LYS   1   3.669   7.038  -8.341
  113   2HD   LYS  16          2HD       LYS   1   2.033   7.077  -7.679
  114   1HE   LYS  16          1HE       LYS   1   2.434   9.403  -6.796
  115   2HE   LYS  16          2HE       LYS   1   4.123   9.328  -7.338
  116   1HZ   LYS  16          1HZ       LYS   1   1.725   9.136  -9.080
  117   2HZ   LYS  16          2HZ       LYS   1   2.687  10.448  -8.926
  118    HA   PRO  17           HA       PRO   1   1.181   8.331  -0.488
  119   1HB   PRO  17          1HB       PRO   1  -1.308   7.437   0.001
  120   2HB   PRO  17          2HB       PRO   1  -0.942   8.310  -1.515
  121   1HG   PRO  17          1HG       PRO   1  -1.087   5.278  -1.108
  122   2HG   PRO  17          2HG       PRO   1  -1.933   6.247  -2.351
  123   1HD   PRO  17          1HD       PRO   1   0.494   4.987  -2.852
  124   2HD   PRO  17          2HD       PRO   1   0.086   6.553  -3.609
  125    H    CYS  18           H        CYS   1   1.376   4.789  -0.500
  126    HA   CYS  18           HA       CYS   1   0.886   4.703   2.440
  127   1HB   CYS  18          1HB       CYS   1   0.672   2.737   0.677
  128   2HB   CYS  18          2HB       CYS   1   2.386   2.449   1.060
  129    H    LYS  19           H        LYS   1   3.629   5.006   0.285
  130    HA   LYS  19           HA       LYS   1   5.566   4.761   2.561
  131   1HB   LYS  19          1HB       LYS   1   6.090   4.027   0.188
  132   2HB   LYS  19          2HB       LYS   1   6.036   5.714  -0.334
  133   1HG   LYS  19          1HG       LYS   1   7.928   6.273   1.231
  134   2HG   LYS  19          2HG       LYS   1   7.925   4.611   1.842
  135   1HD   LYS  19          1HD       LYS   1   8.402   3.766  -0.492
  136   2HD   LYS  19          2HD       LYS   1   8.465   5.431  -1.083
  137   1HE   LYS  19          1HE       LYS   1  10.292   4.274   1.124
  138   2HE   LYS  19          2HE       LYS   1  10.750   4.442  -0.580
  139   1HZ   LYS  19          1HZ       LYS   1   9.977   6.665   1.229
  140   2HZ   LYS  19          2HZ       LYS   1  11.499   6.306   0.754
  141    H    ASP  20           H        ASP   2   3.664   7.203   1.094
  142    HA   ASP  20           HA       ASP   2   5.390   9.410   2.161
  143   1HB   ASP  20          1HB       ASP   2   4.241   9.716  -0.064
  144   2HB   ASP  20          2HB       ASP   2   2.671   9.524   0.737
  145    HD2  ASP  20           HD2      ASP   2   4.659  12.981   0.754
  146    H    ALA  21           H        ALA   2   2.880   7.579   2.831
  147    HA   ALA  21           HA       ALA   2   1.543   9.215   4.937
  148   1HB   ALA  21          2HB       ALA   2   1.554   6.138   4.592
  149   2HB   ALA  21          1HB       ALA   2   0.524   7.017   5.753
  150   3HB   ALA  21          3HB       ALA   2   0.295   7.257   4.006
  151    H    GLY  22           H        GLY   2   3.845   6.556   4.945
  152   1HA   GLY  22          1HA       GLY   2   5.851   7.424   6.621
  153   2HA   GLY  22          2HA       GLY   2   4.584   7.188   7.835
  154    H    MET  23           H        MET   2   4.242   4.999   5.275
  155    HA   MET  23           HA       MET   2   5.176   2.799   7.162
  156   1HB   MET  23          1HB       MET   2   3.584   2.673   4.539
  157   2HB   MET  23          2HB       MET   2   4.079   1.282   5.446
  158   1HG   MET  23          1HG       MET   2   2.967   2.552   7.554
  159   2HG   MET  23          2HG       MET   2   2.149   3.507   6.304
  160   1HE   MET  23          2HE       MET   2   2.612   0.270   8.229
  161   2HE   MET  23          1HE       MET   2   1.711  -0.988   7.309
  162   3HE   MET  23          3HE       MET   2   3.273  -0.389   6.710
  163    H    ARG  24           H        ARG   2   6.064   0.840   5.827
  164    HA   ARG  24           HA       ARG   2   8.711   1.949   4.810
  165   1HB   ARG  24          1HB       ARG   2   8.516   0.205   6.666
  166   2HB   ARG  24          2HB       ARG   2   8.101  -0.979   5.446
  167   1HG   ARG  24          1HG       ARG   2  10.268  -0.386   4.219
  168   2HG   ARG  24          2HG       ARG   2  10.634   0.796   5.486
  169   1HD   ARG  24          1HD       ARG   2  10.578  -1.035   7.217
  170   2HD   ARG  24          2HD       ARG   2  10.211  -2.224   5.942
  171   1HH1  ARG  24          2HH1      ARG   2  11.333  -2.961   7.552
  172   2HH1  ARG  24          1HH1      ARG   2  12.962  -3.760   7.829
  173   1HH2  ARG  24          1HH2      ARG   2  14.545  -1.750   5.499
  174   2HH2  ARG  24          2HH2      ARG   2  14.691  -3.108   6.724
  175    H    PHE  25           H        PHE   2   8.185  -0.874   3.574
  176    HA   PHE  25           HA       PHE   2   7.779   0.276   0.867
  177   1HB   PHE  25          1HB       PHE   2   7.368  -2.699   1.374
  178   2HB   PHE  25          2HB       PHE   2   7.942  -1.915  -0.092
  179    HD1  PHE  25           HD1      PHE   2  10.094  -0.383   0.333
  180    HD2  PHE  25           HD2      PHE   2   8.987  -3.659   2.702
  181    HE1  PHE  25           HE1      PHE   2  12.384  -0.616   1.081
  182    HE2  PHE  25           HE2      PHE   2  11.277  -3.892   3.450
  183    HZ   PHE  25           HZ       PHE   2  12.975  -2.370   2.640
  184    H    GLY  26           H        GLY   2   6.225  -0.689  -0.598
  185   1HA   GLY  26          2HA       GLY   2   3.400  -0.772   0.614
  186   2HA   GLY  26          1HA       GLY   2   3.748   0.369  -0.683
  187    H    LYS  27           H        LYS   2   2.039  -2.070  -0.456
  188    HA   LYS  27           HA       LYS   2   2.795  -3.064  -3.217
  189   1HB   LYS  27          1HB       LYS   2   4.143  -4.419  -1.542
  190   2HB   LYS  27          2HB       LYS   2   2.635  -5.003  -0.829
  191   1HG   LYS  27          1HG       LYS   2   1.983  -6.045  -3.023
  192   2HG   LYS  27          2HG       LYS   2   3.424  -5.358  -3.791
  193   1HD   LYS  27          1HD       LYS   2   4.879  -6.616  -2.138
  194   2HD   LYS  27          2HD       LYS   2   3.434  -7.365  -1.448
  195   1HE   LYS  27          1HE       LYS   2   4.306  -7.606  -4.402
  196   2HE   LYS  27          2HE       LYS   2   4.606  -8.829  -3.155
  197   1HZ   LYS  27          1HZ       LYS   2   2.203  -8.987  -2.818
  198   2HZ   LYS  27          2HZ       LYS   2   1.920  -7.861  -3.969
  199    H    CYS  28           H        CYS   2   1.116  -3.421  -4.399
  200    HA   CYS  28           HA       CYS   2  -1.549  -3.252  -3.116
  201   1HB   CYS  28          1HB       CYS   2  -1.072  -2.256  -5.378
  202   2HB   CYS  28          2HB       CYS   2  -0.925  -3.890  -6.049
  203    H    MET  29           H        MET   2  -3.074  -4.774  -2.963
  204    HA   MET  29           HA       MET   2  -2.523  -7.550  -3.908
  205   1HB   MET  29          1HB       MET   2  -1.062  -7.313  -1.835
  206   2HB   MET  29          2HB       MET   2  -2.514  -6.995  -0.878
  207   1HG   MET  29          1HG       MET   2  -3.439  -9.262  -1.497
  208   2HG   MET  29          2HG       MET   2  -2.023  -9.560  -2.531
  209   1HE   MET  29          1HE       MET   2  -1.565 -11.804  -1.244
  210   2HE   MET  29          2HE       MET   2  -1.417 -11.931   0.536
  211   3HE   MET  29          3HE       MET   2  -2.989 -11.495  -0.203
  212    H    ASN  30           H        ASN   3  -4.324  -8.385  -4.381
  213    HA   ASN  30           HA       ASN   3  -6.656  -8.759  -4.588
  214   1HB   ASN  30          1HB       ASN   3  -6.097  -9.607  -2.231
  215   2HB   ASN  30          2HB       ASN   3  -6.736  -8.086  -1.593
  216   1HD2  ASN  30          2HD2      ASN   3 -10.003  -9.387  -1.630
  217   2HD2  ASN  30          1HD2      ASN   3  -8.695  -8.350  -0.870
  218    H    ARG  31           H        ARG   3  -5.875  -6.333  -5.394
  219    HA   ARG  31           HA       ARG   3  -6.691  -4.213  -5.975
  220   1HB   ARG  31          1HB       ARG   3  -9.372  -5.328  -5.002
  221   2HB   ARG  31          2HB       ARG   3  -9.155  -3.802  -5.863
  222   1HG   ARG  31          1HG       ARG   3  -8.105  -5.055  -7.806
  223   2HG   ARG  31          2HG       ARG   3  -8.336  -6.580  -6.943
  224   1HD   ARG  31          1HD       ARG   3 -10.167  -6.366  -8.497
  225   2HD   ARG  31          2HD       ARG   3 -10.832  -6.140  -6.863
  226   1HH1  ARG  31          2HH1      ARG   3 -12.259  -6.231  -8.391
  227   2HH1  ARG  31          1HH1      ARG   3 -13.591  -5.178  -9.086
  228   1HH2  ARG  31          2HH2      ARG   3 -11.722  -2.284  -8.753
  229   2HH2  ARG  31          1HH2      ARG   3 -13.302  -3.054  -9.281
  230    H    LYS  32           H        LYS   3  -5.576  -4.569  -3.261
  231    HA   LYS  32           HA       LYS   3  -6.602  -1.876  -2.284
  232   1HB   LYS  32          1HB       LYS   3  -7.886  -4.008  -1.317
  233   2HB   LYS  32          2HB       LYS   3  -6.364  -4.354  -0.498
  234   1HG   LYS  32          1HG       LYS   3  -7.572  -3.147   1.122
  235   2HG   LYS  32          2HG       LYS   3  -6.563  -1.868   0.426
  236   1HD   LYS  32          1HD       LYS   3  -8.461  -1.260  -1.149
  237   2HD   LYS  32          2HD       LYS   3  -9.453  -2.545  -0.456
  238   1HE   LYS  32          1HE       LYS   3  -8.322  -0.154   1.119
  239   2HE   LYS  32          2HE       LYS   3  -9.970  -0.247   0.476
  240   1HZ   LYS  32          1HZ       LYS   3  -8.781  -2.107   2.462
  241   2HZ   LYS  32          2HZ       LYS   3  -9.857  -0.921   2.789
  242    H    CYS  33           H        CYS   3  -4.743  -0.655  -1.832
  243    HA   CYS  33           HA       CYS   3  -2.254  -1.779  -1.572
  244   1HB   CYS  33          1HB       CYS   3  -3.318   0.719  -0.215
  245   2HB   CYS  33          2HB       CYS   3  -1.603   0.415  -0.563
  246    H    HIS  34           H        HIS   3  -1.381  -2.881  -0.455
  247    HA   HIS  34           HA       HIS   3  -2.015  -3.233   2.539
  248   1HB   HIS  34          1HB       HIS   3  -0.833  -5.241   0.516
  249   2HB   HIS  34          2HB       HIS   3  -0.646  -5.427   2.255
  250    HD2  HIS  34           HD2      HIS   3  -4.121  -4.165   1.077
  251    HE1  HIS  34           HE1      HIS   3  -4.559  -8.217   1.839
  252    HE2  HIS  34           HE2      HIS   3  -5.911  -6.109   1.306
  253    H    CYS  35           H        CYS   3   0.088  -3.069   3.762
  254    HA   CYS  35           HA       CYS   3   2.483  -2.315   1.984
  255   1HB   CYS  35          2HB       CYS   3   1.832  -0.719   4.490
  256   2HB   CYS  35          1HB       CYS   3   2.871  -0.306   3.102
  257    H    THR  36           H        THR   3   4.114  -1.564   4.143
  258    HA   THR  36           HA       THR   3   4.378  -4.266   5.633
  259    HB   THR  36           HB       THR   3   6.505  -2.529   4.329
  260    HG1  THR  36           HG1      THR   3   6.493  -4.272   2.882
  261   1HG2  THR  36          2HG2      THR   3   6.559  -5.331   5.641
  262   2HG2  THR  36          1HG2      THR   3   7.894  -4.625   4.696
  263   3HG2  THR  36          3HG2      THR   3   7.417  -3.884   6.240
  264    HA   PRO  37           HA       PRO   3   4.737  -0.720   8.788
  265   1HB   PRO  37          1HB       PRO   3   4.589  -3.124  10.655
  266   2HB   PRO  37          2HB       PRO   3   3.810  -1.535  10.863
  267   1HG   PRO  37          1HG       PRO   3   2.330  -3.663  10.019
  268   2HG   PRO  37          2HG       PRO   3   2.096  -2.077   9.249
  269   1HD   PRO  37          1HD       PRO   3   3.641  -4.481   8.178
  270   2HD   PRO  37          2HD       PRO   3   2.626  -3.308   7.284
  271    H    LYS  38           H        LYS   3   6.553   0.006   9.729
  272    HA   LYS  38           HA       LYS   3   8.981  -1.698   9.460
  273   1HB   LYS  38          1HB       LYS   3   8.960   0.803   9.060
  274   2HB   LYS  38          2HB       LYS   3   8.651   1.065  10.782
  275   1HG   LYS  38          1HG       LYS   3  10.834  -0.060  11.358
  276   2HG   LYS  38          2HG       LYS   3  11.071  -0.475   9.663
  277   1HD   LYS  38          1HD       LYS   3  12.433   1.476  10.127
  278   2HD   LYS  38          2HD       LYS   3  11.134   1.952   9.034
  279   1HE   LYS  38          1HE       LYS   3  11.467   3.675  10.767
  280   2HE   LYS  38          2HE       LYS   3   9.863   2.970  10.975
  281   1HZ   LYS  38          1HZ       LYS   3  10.765   1.552  12.715
  282   2HZ   LYS  38          2HZ       LYS   3  11.005   3.130  13.065
  283    HXT  LYS  38           HO       OH    3  10.046  -2.584  10.897
   
  No H/Q in entry =         283
  Start of MODEL    8
    1   1H    GLY   1          1H        GLY   1   0.189  -6.836   6.897
    2   2H    GLY   1          2H        GLY   1   0.547  -5.243   6.991
    3   1HA   GLY   1          1HA       GLY   1  -1.722  -6.588   8.362
    4   2HA   GLY   1          2HA       GLY   1  -0.209  -6.062   9.129
    5    H    VAL   2           H        VAL   2  -0.581  -3.880   6.815
    6    HA   VAL   2           HA       VAL   2  -2.464  -2.037   8.388
    7    HB   VAL   2           HB       VAL   2   0.374  -1.439   7.348
    8   1HG1  VAL   2          1HG1      VAL   2  -1.761   0.484   8.476
    9   2HG1  VAL   2          3HG1      VAL   2  -0.044   0.898   8.241
   10   3HG1  VAL   2          2HG1      VAL   2  -1.062   0.532   6.832
   11   1HG2  VAL   2          2HG2      VAL   2   0.263  -2.492   9.649
   12   2HG2  VAL   2          3HG2      VAL   2   0.804  -0.796   9.731
   13   3HG2  VAL   2          1HG2      VAL   2  -0.872  -1.219  10.165
   14    H    GLU   3           H        GLU   3  -3.820  -1.060   7.081
   15    HA   GLU   3           HA       GLU   3  -3.148  -0.797   4.177
   16   1HB   GLU   3          1HB       GLU   3  -5.021  -2.126   3.320
   17   2HB   GLU   3          2HB       GLU   3  -3.945  -3.110   4.296
   18   1HG   GLU   3          1HG       GLU   3  -5.968  -3.895   5.030
   19   2HG   GLU   3          2HG       GLU   3  -5.693  -2.692   6.280
   20    HE1  GLU   3           HE2      GLU   3  -8.299  -1.872   3.242
   21    H    ILE   4           H        ILE   4  -3.984   0.753   3.207
   22    HA   ILE   4           HA       ILE   4  -5.777   2.579   4.857
   23    HB   ILE   4           HB       ILE   4  -5.185   4.320   3.223
   24   1HG1  ILE   4          1HG1      ILE   4  -3.239   2.249   1.989
   25   2HG1  ILE   4          2HG1      ILE   4  -4.729   2.833   1.239
   26   1HG2  ILE   4          1HG2      ILE   4  -3.926   3.775   5.384
   27   2HG2  ILE   4          2HG2      ILE   4  -2.723   2.891   4.413
   28   3HG2  ILE   4          3HG2      ILE   4  -2.941   4.647   4.196
   29   1HD1  ILE   4          3HD1      ILE   4  -3.760   5.225   1.407
   30   2HD1  ILE   4          2HD1      ILE   4  -2.226   4.496   1.950
   31   3HD1  ILE   4          1HD1      ILE   4  -2.863   4.114   0.336
   32    H    ASN   5           H        ASN   5  -7.273   3.869   3.208
   33    HA   ASN   5           HA       ASN   5  -9.006   1.685   2.018
   34   1HB   ASN   5          1HB       ASN   5 -10.801   3.367   2.066
   35   2HB   ASN   5          2HB       ASN   5 -10.010   3.269   3.647
   36   1HD2  ASN   5          1HD2      ASN   5  -9.989   6.757   1.576
   37   2HD2  ASN   5          2HD2      ASN   5 -10.858   5.235   1.034
   38    H    VAL   6           H        VAL   6  -6.696   2.665   0.640
   39    HA   VAL   6           HA       VAL   6  -7.975   3.986  -1.837
   40    HB   VAL   6           HB       VAL   6  -5.013   3.516  -1.353
   41   1HG1  VAL   6          1HG1      VAL   6  -5.677   3.783  -3.744
   42   2HG1  VAL   6          3HG1      VAL   6  -6.519   5.307  -3.352
   43   3HG1  VAL   6          2HG1      VAL   6  -4.746   5.199  -3.187
   44   1HG2  VAL   6          1HG2      VAL   6  -6.723   6.058  -0.891
   45   2HG2  VAL   6          3HG2      VAL   6  -5.764   5.207   0.352
   46   3HG2  VAL   6          2HG2      VAL   6  -4.944   6.061  -0.969
   47    H    LYS   7           H        LYS   7  -8.069   2.855  -3.611
   48    HA   LYS   7           HA       LYS   7  -7.634  -0.163  -3.327
   49   1HB   LYS   7          1HB       LYS   7  -9.221   1.438  -5.421
   50   2HB   LYS   7          2HB       LYS   7  -9.002  -0.316  -5.445
   51   1HG   LYS   7          1HG       LYS   7 -10.074  -0.469  -3.149
   52   2HG   LYS   7          2HG       LYS   7 -10.378   1.275  -3.187
   53   1HD   LYS   7          1HD       LYS   7 -11.712   0.999  -5.309
   54   2HD   LYS   7          2HD       LYS   7 -11.415  -0.746  -5.269
   55   1HE   LYS   7          1HE       LYS   7 -12.549  -0.889  -3.014
   56   2HE   LYS   7          2HE       LYS   7 -12.848   0.860  -3.054
   57   1HZ   LYS   7          1HZ       LYS   7 -14.740  -0.416  -3.851
   58   2HZ   LYS   7          2HZ       LYS   7 -13.852  -1.121  -5.029
   59    H    CYS   8           H        CYS   8  -5.741  -0.811  -4.022
   60    HA   CYS   8           HA       CYS   8  -4.255   0.870  -6.052
   61   1HB   CYS   8          1HB       CYS   8  -2.405  -0.811  -5.770
   62   2HB   CYS   8          2HB       CYS   8  -2.852   0.071  -4.310
   63    H    SER   9           H        SER   9  -3.453   0.214  -7.802
   64    HA   SER   9           HA       SER   9  -5.120  -1.875  -9.318
   65   1HB   SER   9          1HB       SER   9  -3.270   0.355 -10.379
   66   2HB   SER   9          2HB       SER   9  -4.219  -0.760 -11.383
   67    HG   SER   9           HG       SER   9  -5.272   1.222 -11.019
   68    H    GLY  10           H        GLY   1  -2.134  -0.993  -7.977
   69   1HA   GLY  10          1HA       GLY   1  -0.956  -3.674  -8.433
   70   2HA   GLY  10          2HA       GLY   1  -0.229  -2.452  -9.528
   71    H    SER  11           H        SER   1   1.361  -3.648  -7.728
   72    HA   SER  11           HA       SER   1   1.541  -2.186  -5.222
   73   1HB   SER  11          1HB       SER   1   3.652  -3.168  -4.829
   74   2HB   SER  11          2HB       SER   1   2.537  -4.351  -5.511
   75    HG   SER  11           HG       SER   1   4.601  -4.431  -6.482
   76    HA   PRO  12           HA       PRO   1   4.445   1.090  -6.809
   77   1HB   PRO  12          1HB       PRO   1   3.311   1.616  -9.603
   78   2HB   PRO  12          2HB       PRO   1   4.929   2.056  -8.978
   79   1HG   PRO  12          1HG       PRO   1   4.723  -0.204 -10.437
   80   2HG   PRO  12          2HG       PRO   1   5.598  -0.297  -8.879
   81   1HD   PRO  12          1HD       PRO   1   2.720  -1.143  -9.468
   82   2HD   PRO  12          2HD       PRO   1   3.964  -1.998  -8.522
   83    H    GLN  13           H        GLN   1   1.038   0.867  -7.578
   84    HA   GLN  13           HA       GLN   1   0.547   3.795  -7.099
   85   1HB   GLN  13          1HB       GLN   1  -0.829   2.398  -8.694
   86   2HB   GLN  13          2HB       GLN   1  -1.411   1.427  -7.335
   87   1HG   GLN  13          1HG       GLN   1  -2.453   3.471  -6.300
   88   2HG   GLN  13          2HG       GLN   1  -1.782   4.482  -7.592
   89   1HE2  GLN  13          2HE2      GLN   1  -4.048   3.156 -10.108
   90   2HE2  GLN  13          1HE2      GLN   1  -2.315   3.697  -9.842
   91    H    CYS  14           H        CYS   1   0.945   0.904  -5.286
   92    HA   CYS  14           HA       CYS   1  -0.719   1.760  -2.923
   93   1HB   CYS  14          1HB       CYS   1  -0.107  -0.690  -3.515
   94   2HB   CYS  14          2HB       CYS   1   1.549  -0.379  -3.102
   95    H    LEU  15           H        LEU   1   2.492   1.607  -4.184
   96    HA   LEU  15           HA       LEU   1   4.177   2.249  -2.015
   97   1HB   LEU  15          1HB       LEU   1   4.895   1.485  -4.292
   98   2HB   LEU  15          2HB       LEU   1   4.507   3.062  -4.957
   99    HG   LEU  15           HG       LEU   1   6.271   4.112  -3.439
  100   1HD1  LEU  15          2HD2      LEU   1   6.973   1.149  -2.904
  101   2HD1  LEU  15          3HD2      LEU   1   7.991   2.549  -2.474
  102   3HD1  LEU  15          1HD2      LEU   1   6.415   2.317  -1.676
  103   1HD2  LEU  15          1HD1      LEU   1   6.681   3.513  -5.831
  104   2HD2  LEU  15          3HD1      LEU   1   8.148   3.265  -4.844
  105   3HD2  LEU  15          2HD1      LEU   1   7.162   1.865  -5.345
  106    H    LYS  16           H        LYS   1   2.902   4.435  -4.347
  107    HA   LYS  16           HA       LYS   1   4.024   6.889  -3.328
  108   1HB   LYS  16          1HB       LYS   1   1.479   6.584  -4.959
  109   2HB   LYS  16          2HB       LYS   1   2.207   8.128  -4.505
  110   1HG   LYS  16          1HG       LYS   1   4.361   7.469  -5.643
  111   2HG   LYS  16          2HG       LYS   1   3.681   5.900  -6.055
  112   1HD   LYS  16          1HD       LYS   1   3.500   7.254  -8.026
  113   2HD   LYS  16          2HD       LYS   1   1.874   6.970  -7.409
  114   1HE   LYS  16          1HE       LYS   1   2.114   9.312  -8.151
  115   2HE   LYS  16          2HE       LYS   1   1.839   9.288  -6.407
  116   1HZ   LYS  16          1HZ       LYS   1   4.473   9.548  -7.758
  117   2HZ   LYS  16          2HZ       LYS   1   3.645  10.760  -7.038
  118    HA   PRO  17           HA       PRO   1   0.753   8.000  -0.301
  119   1HB   PRO  17          1HB       PRO   1  -1.189   6.230   0.656
  120   2HB   PRO  17          2HB       PRO   1  -1.435   7.361  -0.698
  121   1HG   PRO  17          1HG       PRO   1  -0.682   4.404  -0.864
  122   2HG   PRO  17          2HG       PRO   1  -1.948   5.264  -1.787
  123   1HD   PRO  17          1HD       PRO   1   0.516   4.831  -2.934
  124   2HD   PRO  17          2HD       PRO   1  -0.293   6.398  -3.151
  125    H    CYS  18           H        CYS   1   1.626   4.596  -0.218
  126    HA   CYS  18           HA       CYS   1   1.802   4.063   2.608
  127   1HB   CYS  18          1HB       CYS   1   3.517   3.012   0.297
  128   2HB   CYS  18          2HB       CYS   1   3.652   2.430   1.961
  129    H    LYS  19           H        LYS   1   4.220   5.508   0.516
  130    HA   LYS  19           HA       LYS   1   6.196   5.553   2.793
  131   1HB   LYS  19          1HB       LYS   1   6.814   5.207   0.356
  132   2HB   LYS  19          2HB       LYS   1   6.366   6.883   0.023
  133   1HG   LYS  19          1HG       LYS   1   8.115   7.681   1.649
  134   2HG   LYS  19          2HG       LYS   1   8.508   6.004   2.065
  135   1HD   LYS  19          1HD       LYS   1   9.144   5.563  -0.338
  136   2HD   LYS  19          2HD       LYS   1   8.746   7.238  -0.752
  137   1HE   LYS  19          1HE       LYS   1  10.479   8.060   0.896
  138   2HE   LYS  19          2HE       LYS   1  10.878   6.381   1.310
  139   1HZ   LYS  19          1HZ       LYS   1  11.444   6.012  -1.030
  140   2HZ   LYS  19          2HZ       LYS   1  11.076   7.559  -1.411
  141    H    ASP  20           H        ASP   2   3.727   7.605   1.600
  142    HA   ASP  20           HA       ASP   2   4.932  10.037   2.923
  143   1HB   ASP  20          1HB       ASP   2   3.778  10.276   0.697
  144   2HB   ASP  20          2HB       ASP   2   2.276   9.683   1.424
  145    HD2  ASP  20           HD2      ASP   2   1.027  11.089   1.863
  146    H    ALA  21           H        ALA   2   3.066   7.570   3.456
  147    HA   ALA  21           HA       ALA   2   1.435   8.765   5.707
  148   1HB   ALA  21          3HB       ALA   2   0.330   7.101   4.183
  149   2HB   ALA  21          2HB       ALA   2   1.492   5.850   4.689
  150   3HB   ALA  21          1HB       ALA   2   0.325   6.512   5.865
  151    H    GLY  22           H        GLY   2   4.526   7.688   5.529
  152   1HA   GLY  22          1HA       GLY   2   6.008   7.344   7.448
  153   2HA   GLY  22          2HA       GLY   2   4.581   7.409   8.513
  154    H    MET  23           H        MET   2   5.253   5.467   5.656
  155    HA   MET  23           HA       MET   2   5.630   2.980   7.384
  156   1HB   MET  23          1HB       MET   2   3.217   3.385   7.173
  157   2HB   MET  23          2HB       MET   2   3.312   3.499   5.426
  158   1HG   MET  23          1HG       MET   2   2.412   1.288   6.438
  159   2HG   MET  23          2HG       MET   2   3.667   1.182   5.181
  160   1HE   MET  23          2HE       MET   2   2.870   0.969   8.877
  161   2HE   MET  23          1HE       MET   2   4.442   0.490   9.633
  162   3HE   MET  23          3HE       MET   2   4.227   2.160   8.981
  163    H    ARG  24           H        ARG   2   6.047   1.059   5.676
  164    HA   ARG  24           HA       ARG   2   8.420   2.193   4.166
  165   1HB   ARG  24          1HB       ARG   2   8.477   0.379   5.966
  166   2HB   ARG  24          2HB       ARG   2   7.939  -0.752   4.750
  167   1HG   ARG  24          1HG       ARG   2   9.932  -0.026   3.299
  168   2HG   ARG  24          2HG       ARG   2  10.416   1.099   4.578
  169   1HD   ARG  24          1HD       ARG   2  10.615  -0.822   6.199
  170   2HD   ARG  24          2HD       ARG   2  10.133  -1.953   4.910
  171   1HH1  ARG  24          2HH1      ARG   2  11.458  -2.736   6.332
  172   2HH1  ARG  24          1HH1      ARG   2  13.129  -3.493   6.372
  173   1HH2  ARG  24          1HH2      ARG   2  14.369  -1.307   3.992
  174   2HH2  ARG  24          2HH2      ARG   2  14.697  -2.723   5.111
  175    H    PHE  25           H        PHE   2   7.677  -0.567   2.959
  176    HA   PHE  25           HA       PHE   2   7.069   0.667   0.303
  177   1HB   PHE  25          1HB       PHE   2   6.972  -2.335   0.839
  178   2HB   PHE  25          2HB       PHE   2   7.319  -1.522  -0.688
  179    HD1  PHE  25           HD1      PHE   2   9.310   0.243  -0.482
  180    HD2  PHE  25           HD2      PHE   2   8.789  -3.079   2.020
  181    HE1  PHE  25           HE1      PHE   2  11.670   0.276   0.053
  182    HE2  PHE  25           HE2      PHE   2  11.149  -3.046   2.556
  183    HZ   PHE  25           HZ       PHE   2  12.590  -1.368   1.572
  184    H    GLY  26           H        GLY   2   5.599  -0.513  -1.143
  185   1HA   GLY  26          2HA       GLY   2   2.749  -0.466   0.074
  186   2HA   GLY  26          1HA       GLY   2   3.153   0.181  -1.491
  187    H    LYS  27           H        LYS   2   2.164  -2.463   0.255
  188    HA   LYS  27           HA       LYS   2   2.885  -4.412  -2.052
  189   1HB   LYS  27          1HB       LYS   2   3.567  -5.125   0.281
  190   2HB   LYS  27          2HB       LYS   2   1.851  -5.338   0.654
  191   1HG   LYS  27          1HG       LYS   2   1.588  -6.850  -1.332
  192   2HG   LYS  27          2HG       LYS   2   3.302  -6.631  -1.721
  193   1HD   LYS  27          1HD       LYS   2   3.941  -7.599   0.517
  194   2HD   LYS  27          2HD       LYS   2   2.234  -7.732   0.957
  195   1HE   LYS  27          1HE       LYS   2   3.007  -9.933   0.200
  196   2HE   LYS  27          2HE       LYS   2   1.857  -9.307  -0.994
  197   1HZ   LYS  27          1HZ       LYS   2   3.852 -10.211  -2.015
  198   2HZ   LYS  27          2HZ       LYS   2   4.820  -9.182  -1.192
  199    H    CYS  28           H        CYS   2   1.361  -4.274  -3.562
  200    HA   CYS  28           HA       CYS   2  -1.381  -3.535  -2.775
  201   1HB   CYS  28          1HB       CYS   2  -0.542  -2.975  -4.984
  202   2HB   CYS  28          2HB       CYS   2  -0.516  -4.690  -5.473
  203    H    MET  29           H        MET   2  -3.120  -4.813  -2.506
  204    HA   MET  29           HA       MET   2  -2.925  -7.757  -3.094
  205   1HB   MET  29          1HB       MET   2  -1.895  -6.906  -0.639
  206   2HB   MET  29          2HB       MET   2  -3.562  -7.293  -0.200
  207   1HG   MET  29          1HG       MET   2  -1.545  -9.145  -1.635
  208   2HG   MET  29          2HG       MET   2  -2.129  -9.318   0.034
  209   1HE   MET  29          1HE       MET   2  -2.774 -11.817  -0.455
  210   2HE   MET  29          2HE       MET   2  -3.795 -12.345  -1.828
  211   3HE   MET  29          3HE       MET   2  -2.179 -11.637  -2.134
  212    H    ASN  30           H        ASN   3  -4.728  -8.307  -3.830
  213    HA   ASN  30           HA       ASN   3  -7.058  -8.406  -4.317
  214   1HB   ASN  30          1HB       ASN   3  -7.295  -7.651  -1.341
  215   2HB   ASN  30          2HB       ASN   3  -8.590  -8.328  -2.333
  216   1HD2  ASN  30          2HD2      ASN   3  -6.833 -11.591  -2.559
  217   2HD2  ASN  30          1HD2      ASN   3  -7.547 -10.336  -3.691
  218    H    ARG  31           H        ARG   3  -5.921  -6.027  -5.004
  219    HA   ARG  31           HA       ARG   3  -6.492  -3.830  -5.641
  220   1HB   ARG  31          1HB       ARG   3  -9.360  -4.727  -5.030
  221   2HB   ARG  31          2HB       ARG   3  -8.905  -3.243  -5.876
  222   1HG   ARG  31          1HG       ARG   3  -7.693  -4.627  -7.625
  223   2HG   ARG  31          2HG       ARG   3  -8.238  -6.106  -6.816
  224   1HD   ARG  31          1HD       ARG   3 -10.633  -5.393  -7.109
  225   2HD   ARG  31          2HD       ARG   3 -10.088  -3.909  -7.929
  226   1HH1  ARG  31          1HH2      ARG   3 -11.927  -4.666  -8.589
  227   2HH1  ARG  31          2HH2      ARG   3 -12.678  -5.255 -10.156
  228   1HH2  ARG  31          2HH1      ARG   3  -9.780  -6.868 -11.146
  229   2HH2  ARG  31          1HH1      ARG   3 -11.522  -6.440 -11.533
  230    H    LYS  32           H        LYS   3  -5.723  -4.315  -2.887
  231    HA   LYS  32           HA       LYS   3  -6.720  -1.620  -1.849
  232   1HB   LYS  32          1HB       LYS   3  -6.718  -4.329  -0.388
  233   2HB   LYS  32          2HB       LYS   3  -6.651  -2.798   0.490
  234   1HG   LYS  32          1HG       LYS   3  -8.778  -2.042  -0.642
  235   2HG   LYS  32          2HG       LYS   3  -8.923  -3.625  -1.412
  236   1HD   LYS  32          1HD       LYS   3  -8.811  -3.162   1.638
  237   2HD   LYS  32          2HD       LYS   3 -10.298  -3.344   0.705
  238   1HE   LYS  32          1HE       LYS   3  -9.521  -5.640  -0.064
  239   2HE   LYS  32          2HE       LYS   3  -8.095  -5.484   0.983
  240   1HZ   LYS  32          1HZ       LYS   3  -9.912  -6.633   2.076
  241   2HZ   LYS  32          2HZ       LYS   3 -10.924  -5.366   1.874
  242    H    CYS  33           H        CYS   3  -4.981  -0.436  -1.320
  243    HA   CYS  33           HA       CYS   3  -2.351  -1.564  -1.378
  244   1HB   CYS  33          1HB       CYS   3  -3.054   0.788  -1.735
  245   2HB   CYS  33          2HB       CYS   3  -3.444   0.951  -0.002
  246    H    HIS  34           H        HIS   3  -1.402  -2.572  -0.063
  247    HA   HIS  34           HA       HIS   3  -2.192  -2.813   2.891
  248   1HB   HIS  34          1HB       HIS   3  -1.412  -5.141   1.037
  249   2HB   HIS  34          2HB       HIS   3  -1.034  -5.163   2.757
  250    HD2  HIS  34           HD2      HIS   3  -4.398  -3.816   1.219
  251    HE1  HIS  34           HE1      HIS   3  -5.308  -7.066   3.645
  252    HE2  HIS  34           HE2      HIS   3  -6.410  -5.236   2.213
  253    H    CYS  35           H        CYS   3  -0.570  -1.457   3.599
  254    HA   CYS  35           HA       CYS   3   1.963  -1.396   1.975
  255   1HB   CYS  35          2HB       CYS   3   1.531   0.028   4.609
  256   2HB   CYS  35          1HB       CYS   3   2.750   0.257   3.324
  257    H    THR  36           H        THR   3   4.010  -1.224   3.771
  258    HA   THR  36           HA       THR   3   4.163  -4.165   4.563
  259    HB   THR  36           HB       THR   3   6.324  -2.127   3.979
  260    HG1  THR  36           HG1      THR   3   5.024  -2.768   2.242
  261   1HG2  THR  36          2HG2      THR   3   6.392  -5.173   4.514
  262   2HG2  THR  36          1HG2      THR   3   7.757  -4.235   3.859
  263   3HG2  THR  36          3HG2      THR   3   7.184  -3.921   5.511
  264    HA   PRO  37           HA       PRO   3   4.320  -1.705   8.628
  265   1HB   PRO  37          1HB       PRO   3   3.673  -3.814  10.353
  266   2HB   PRO  37          2HB       PRO   3   2.516  -2.702   9.581
  267   1HG   PRO  37          1HG       PRO   3   3.376  -5.468   8.611
  268   2HG   PRO  37          2HG       PRO   3   1.715  -4.828   8.753
  269   1HD   PRO  37          1HD       PRO   3   2.959  -4.825   6.340
  270   2HD   PRO  37          2HD       PRO   3   2.050  -3.349   6.825
  271    H    LYS  38           H        LYS   3   6.369  -1.275   8.790
  272    HA   LYS  38           HA       LYS   3   8.389  -3.414   8.965
  273   1HB   LYS  38          1HB       LYS   3  10.025  -1.680   9.407
  274   2HB   LYS  38          2HB       LYS   3   8.952  -1.145   8.114
  275   1HG   LYS  38          1HG       LYS   3   7.613   0.199   9.858
  276   2HG   LYS  38          2HG       LYS   3   8.838  -0.218  11.060
  277   1HD   LYS  38          1HD       LYS   3   9.425   1.219   8.398
  278   2HD   LYS  38          2HD       LYS   3   9.134   2.038   9.935
  279   1HE   LYS  38          1HE       LYS   3  11.100   0.799  10.961
  280   2HE   LYS  38          2HE       LYS   3  11.448   0.078   9.376
  281   1HZ   LYS  38          1HZ       LYS   3  11.633   2.328   8.470
  282   2HZ   LYS  38          2HZ       LYS   3  11.317   2.992   9.929
  283    HXT  LYS  38           HO       OH    3   9.847  -3.480  10.686
   
  No H/Q in entry =         283
  Start of MODEL    9
    1   1H    GLY   1          1H        GLY   1  -0.686  -8.177   6.210
    2   2H    GLY   1          2H        GLY   1  -1.552  -7.019   5.449
    3   1HA   GLY   1          1HA       GLY   1  -2.651  -7.682   7.491
    4   2HA   GLY   1          2HA       GLY   1  -1.182  -7.246   8.390
    5    H    VAL   2           H        VAL   2  -0.441  -4.959   6.965
    6    HA   VAL   2           HA       VAL   2  -2.453  -3.054   8.174
    7    HB   VAL   2           HB       VAL   2  -0.797  -1.289   7.534
    8   1HG1  VAL   2          1HG1      VAL   2  -0.764  -2.415   9.779
    9   2HG1  VAL   2          3HG1      VAL   2   0.366  -3.644   9.153
   10   3HG1  VAL   2          2HG1      VAL   2   0.875  -1.940   9.265
   11   1HG2  VAL   2          2HG2      VAL   2   0.297  -2.511   5.565
   12   2HG2  VAL   2          1HG2      VAL   2   1.455  -1.889   6.754
   13   3HG2  VAL   2          3HG2      VAL   2   1.080  -3.616   6.729
   14    H    GLU   3           H        GLU   3  -3.461  -1.437   6.960
   15    HA   GLU   3           HA       GLU   3  -3.173  -1.505   4.004
   16   1HB   GLU   3          1HB       GLU   3  -5.403  -2.332   3.447
   17   2HB   GLU   3          2HB       GLU   3  -4.489  -3.547   4.338
   18   1HG   GLU   3          1HG       GLU   3  -5.736  -2.921   6.472
   19   2HG   GLU   3          2HG       GLU   3  -6.671  -1.734   5.555
   20    HE1  GLU   3           HE2      GLU   3  -7.536  -4.914   3.553
   21    H    ILE   4           H        ILE   4  -3.667   0.278   3.140
   22    HA   ILE   4           HA       ILE   4  -5.027   2.415   4.841
   23    HB   ILE   4           HB       ILE   4  -4.172   3.997   3.133
   24   1HG1  ILE   4          1HG1      ILE   4  -2.520   1.632   2.041
   25   2HG1  ILE   4          2HG1      ILE   4  -3.957   2.263   1.231
   26   1HG2  ILE   4          3HG2      ILE   4  -3.011   3.379   5.300
   27   2HG2  ILE   4          2HG2      ILE   4  -2.050   2.164   4.421
   28   3HG2  ILE   4          1HG2      ILE   4  -1.858   3.899   4.052
   29   1HD1  ILE   4          2HD1      ILE   4  -2.876   4.564   1.146
   30   2HD1  ILE   4          1HD1      ILE   4  -1.392   3.857   1.835
   31   3HD1  ILE   4          3HD1      ILE   4  -1.977   3.315   0.244
   32    H    ASN   5           H        ASN   5  -6.539   3.831   3.764
   33    HA   ASN   5           HA       ASN   5  -8.513   2.145   2.246
   34   1HB   ASN   5          1HB       ASN   5  -9.994   4.186   2.522
   35   2HB   ASN   5          2HB       ASN   5  -9.412   3.463   4.026
   36   1HD2  ASN   5          2HD2      ASN   5  -8.605   6.767   4.971
   37   2HD2  ASN   5          1HD2      ASN   5  -9.733   5.330   5.135
   38    H    VAL   6           H        VAL   6  -6.912   2.061   0.421
   39    HA   VAL   6           HA       VAL   6  -7.765   4.155  -1.629
   40    HB   VAL   6           HB       VAL   6  -4.901   3.102  -1.569
   41   1HG1  VAL   6          2HG1      VAL   6  -5.749   3.899  -3.774
   42   2HG1  VAL   6          1HG1      VAL   6  -6.203   5.465  -3.050
   43   3HG1  VAL   6          3HG1      VAL   6  -4.487   4.996  -3.164
   44   1HG2  VAL   6          3HG2      VAL   6  -5.079   4.615   0.439
   45   2HG2  VAL   6          1HG2      VAL   6  -4.068   5.345  -0.836
   46   3HG2  VAL   6          2HG2      VAL   6  -5.744   5.907  -0.596
   47    H    LYS   7           H        LYS   7  -8.244   3.188  -3.454
   48    HA   LYS   7           HA       LYS   7  -8.124   0.152  -3.477
   49   1HB   LYS   7          1HB       LYS   7  -9.350   2.097  -5.524
   50   2HB   LYS   7          2HB       LYS   7  -9.511   0.343  -5.569
   51   1HG   LYS   7          1HG       LYS   7 -10.629   2.164  -3.333
   52   2HG   LYS   7          2HG       LYS   7 -11.543   1.501  -4.681
   53   1HD   LYS   7          1HD       LYS   7 -10.978  -0.846  -3.918
   54   2HD   LYS   7          2HD       LYS   7 -10.143  -0.169  -2.510
   55   1HE   LYS   7          1HE       LYS   7 -12.271   0.991  -1.800
   56   2HE   LYS   7          2HE       LYS   7 -13.109   0.311  -3.209
   57   1HZ   LYS   7          1HZ       LYS   7 -12.549  -1.911  -2.383
   58   2HZ   LYS   7          2HZ       LYS   7 -11.777  -1.284  -1.085
   59    H    CYS   8           H        CYS   8  -7.167  -0.983  -5.219
   60    HA   CYS   8           HA       CYS   8  -5.510   0.665  -7.172
   61   1HB   CYS   8          1HB       CYS   8  -3.365  -0.367  -6.443
   62   2HB   CYS   8          2HB       CYS   8  -4.177   0.382  -5.091
   63    H    SER   9           H        SER   9  -4.220  -0.545  -8.496
   64    HA   SER   9           HA       SER   9  -5.301  -3.328  -9.233
   65   1HB   SER   9          1HB       SER   9  -6.231  -1.225 -10.467
   66   2HB   SER   9          2HB       SER   9  -4.637  -1.059 -11.212
   67    HG   SER   9           HG       SER   9  -6.297  -3.372 -11.292
   68    H    GLY  10           H        GLY   1  -2.799  -1.551  -8.315
   69   1HA   GLY  10          1HA       GLY   1  -0.820  -3.539  -9.320
   70   2HA   GLY  10          2HA       GLY   1  -0.641  -1.971 -10.141
   71    H    SER  11           H        SER   1   0.944  -3.583  -8.165
   72    HA   SER  11           HA       SER   1   1.086  -2.072  -5.708
   73   1HB   SER  11          1HB       SER   1   3.129  -3.190  -5.226
   74   2HB   SER  11          2HB       SER   1   1.995  -4.311  -5.988
   75    HG   SER  11           HG       SER   1   3.071  -3.906  -7.988
   76    HA   PRO  12           HA       PRO   1   4.441   0.892  -7.105
   77   1HB   PRO  12          1HB       PRO   1   4.259   1.969  -9.748
   78   2HB   PRO  12          2HB       PRO   1   5.500   0.869  -9.094
   79   1HG   PRO  12          1HG       PRO   1   2.963   0.157 -10.625
   80   2HG   PRO  12          2HG       PRO   1   4.600  -0.528 -10.831
   81   1HD   PRO  12          1HD       PRO   1   2.754  -1.924  -9.424
   82   2HD   PRO  12          2HD       PRO   1   4.403  -1.791  -8.732
   83    H    GLN  13           H        GLN   1   1.112   1.046  -8.117
   84    HA   GLN  13           HA       GLN   1   1.012   4.040  -7.851
   85   1HB   GLN  13          1HB       GLN   1  -0.482   2.762  -9.442
   86   2HB   GLN  13          2HB       GLN   1  -1.200   1.903  -8.079
   87   1HG   GLN  13          1HG       GLN   1  -2.695   3.719  -8.771
   88   2HG   GLN  13          2HG       GLN   1  -2.088   4.090  -7.158
   89   1HE2  GLN  13          2HE2      GLN   1  -1.462   7.300  -8.569
   90   2HE2  GLN  13          1HE2      GLN   1  -2.545   6.255  -7.520
   91    H    CYS  14           H        CYS   1   0.783   1.181  -5.936
   92    HA   CYS  14           HA       CYS   1  -0.755   2.409  -3.648
   93   1HB   CYS  14          1HB       CYS   1   0.882  -0.185  -4.008
   94   2HB   CYS  14          2HB       CYS   1   0.266   0.353  -2.447
   95    H    LEU  15           H        LEU   1   2.437   1.822  -4.799
   96    HA   LEU  15           HA       LEU   1   4.118   1.965  -2.545
   97   1HB   LEU  15          1HB       LEU   1   4.809   1.494  -4.921
   98   2HB   LEU  15          2HB       LEU   1   4.602   3.191  -5.323
   99    HG   LEU  15           HG       LEU   1   6.429   3.786  -3.641
  100   1HD1  LEU  15          3HD1      LEU   1   6.800   0.718  -3.588
  101   2HD1  LEU  15          2HD1      LEU   1   7.952   1.911  -2.931
  102   3HD1  LEU  15          1HD1      LEU   1   6.342   1.730  -2.191
  103   1HD2  LEU  15          1HD2      LEU   1   6.840   3.540  -6.095
  104   2HD2  LEU  15          2HD2      LEU   1   8.245   2.981  -5.149
  105   3HD2  LEU  15          3HD2      LEU   1   7.132   1.793  -5.880
  106    H    LYS  16           H        LYS   1   3.091   4.597  -4.533
  107    HA   LYS  16           HA       LYS   1   4.412   6.760  -3.156
  108   1HB   LYS  16          1HB       LYS   1   3.455   6.912  -5.417
  109   2HB   LYS  16          2HB       LYS   1   1.828   7.024  -4.733
  110   1HG   LYS  16          1HG       LYS   1   2.556   9.054  -3.385
  111   2HG   LYS  16          2HG       LYS   1   4.146   8.975  -4.134
  112   1HD   LYS  16          1HD       LYS   1   1.458   9.347  -5.612
  113   2HD   LYS  16          2HD       LYS   1   2.557  10.655  -5.184
  114   1HE   LYS  16          1HE       LYS   1   3.210   8.356  -7.137
  115   2HE   LYS  16          2HE       LYS   1   2.798  10.017  -7.574
  116   1HZ   LYS  16          1HZ       LYS   1   5.162   9.712  -7.556
  117   2HZ   LYS  16          2HZ       LYS   1   4.748  10.791  -6.400
  118    HA   PRO  17           HA       PRO   1   1.197   7.663   0.029
  119   1HB   PRO  17          1HB       PRO   1  -0.980   6.070   0.623
  120   2HB   PRO  17          2HB       PRO   1  -1.009   7.349  -0.619
  121   1HG   PRO  17          1HG       PRO   1  -0.446   4.366  -1.079
  122   2HG   PRO  17          2HG       PRO   1  -1.678   5.378  -1.897
  123   1HD   PRO  17          1HD       PRO   1   0.722   5.078  -3.145
  124   2HD   PRO  17          2HD       PRO   1   0.053   6.711  -3.003
  125    H    CYS  18           H        CYS   1   1.997   4.287  -0.484
  126    HA   CYS  18           HA       CYS   1   2.007   3.584   2.354
  127   1HB   CYS  18          1HB       CYS   1   3.630   2.442  -0.011
  128   2HB   CYS  18          2HB       CYS   1   3.815   1.827   1.632
  129    H    LYS  19           H        LYS   1   4.418   4.969   0.181
  130    HA   LYS  19           HA       LYS   1   6.402   5.072   2.487
  131   1HB   LYS  19          1HB       LYS   1   8.038   5.890   0.931
  132   2HB   LYS  19          2HB       LYS   1   7.233   4.497   0.211
  133   1HG   LYS  19          1HG       LYS   1   5.772   6.101  -1.148
  134   2HG   LYS  19          2HG       LYS   1   6.697   7.459  -0.485
  135   1HD   LYS  19          1HD       LYS   1   8.834   6.415  -1.335
  136   2HD   LYS  19          2HD       LYS   1   7.897   5.101  -2.058
  137   1HE   LYS  19          1HE       LYS   1   6.652   6.758  -3.488
  138   2HE   LYS  19          2HE       LYS   1   7.543   8.094  -2.730
  139   1HZ   LYS  19          1HZ       LYS   1   8.784   5.845  -4.225
  140   2HZ   LYS  19          2HZ       LYS   1   9.605   7.074  -3.528
  141    H    ASP  20           H        ASP   2   3.866   6.892   1.240
  142    HA   ASP  20           HA       ASP   2   4.956   9.448   2.488
  143   1HB   ASP  20          1HB       ASP   2   4.107   9.454   0.030
  144   2HB   ASP  20          2HB       ASP   2   2.482   9.360   0.733
  145    HD1  ASP  20           HD2      ASP   2   5.474  10.972   1.063
  146    H    ALA  21           H        ALA   2   3.359   6.994   3.416
  147    HA   ALA  21           HA       ALA   2   2.156   8.603   5.690
  148   1HB   ALA  21          1HB       ALA   2   1.311   5.857   4.556
  149   2HB   ALA  21          2HB       ALA   2   0.507   6.729   5.889
  150   3HB   ALA  21          3HB       ALA   2   0.478   7.402   4.237
  151    H    GLY  22           H        GLY   2   4.832   7.616   5.308
  152   1HA   GLY  22          1HA       GLY   2   6.521   6.802   6.770
  153   2HA   GLY  22          2HA       GLY   2   5.288   6.659   8.012
  154    H    MET  23           H        MET   2   4.895   4.657   5.128
  155    HA   MET  23           HA       MET   2   5.349   2.279   7.020
  156   1HB   MET  23          1HB       MET   2   3.905   2.170   4.327
  157   2HB   MET  23          2HB       MET   2   4.212   0.862   5.431
  158   1HG   MET  23          1HG       MET   2   3.021   2.826   7.125
  159   2HG   MET  23          2HG       MET   2   2.135   2.997   5.594
  160   1HE   MET  23          1HE       MET   2   3.141   1.025   8.656
  161   2HE   MET  23          3HE       MET   2   2.524  -0.642   8.408
  162   3HE   MET  23          2HE       MET   2   3.942  -0.057   7.486
  163    H    ARG  24           H        ARG   2   6.199   0.380   5.483
  164    HA   ARG  24           HA       ARG   2   8.877   1.525   4.517
  165   1HB   ARG  24          1HB       ARG   2   8.121  -1.367   5.111
  166   2HB   ARG  24          2HB       ARG   2   9.693  -0.802   4.494
  167   1HG   ARG  24          1HG       ARG   2   9.864   0.768   6.451
  168   2HG   ARG  24          2HG       ARG   2   8.426  -0.002   7.153
  169   1HD   ARG  24          1HD       ARG   2   9.551  -2.209   7.129
  170   2HD   ARG  24          2HD       ARG   2  10.942  -1.587   6.271
  171   1HH1  ARG  24          2HH1      ARG   2  12.149   0.029   6.494
  172   2HH1  ARG  24          1HH1      ARG   2  13.366   0.793   7.635
  173   1HH2  ARG  24          2HH2      ARG   2  11.764  -0.378  10.455
  174   2HH2  ARG  24          1HH2      ARG   2  13.161   0.576   9.743
  175    H    PHE  25           H        PHE   2   8.343  -1.228   3.197
  176    HA   PHE  25           HA       PHE   2   8.034  -0.086   0.502
  177   1HB   PHE  25          1HB       PHE   2   7.391  -3.015   1.117
  178   2HB   PHE  25          2HB       PHE   2   7.932  -2.336  -0.416
  179    HD1  PHE  25           HD2      PHE   2  10.194  -0.948  -0.199
  180    HD2  PHE  25           HD1      PHE   2   9.005  -3.982   2.437
  181    HE1  PHE  25           HE2      PHE   2  12.501  -1.288   0.450
  182    HE2  PHE  25           HE1      PHE   2  11.311  -4.322   3.086
  183    HZ   PHE  25           HZ       PHE   2  13.059  -2.975   2.093
  184    H    GLY  26           H        GLY   2   6.354  -1.115  -0.998
  185   1HA   GLY  26          1HA       GLY   2   3.536  -0.739   0.226
  186   2HA   GLY  26          2HA       GLY   2   4.006   0.125  -1.234
  187    H    LYS  27           H        LYS   2   2.024  -1.944  -0.595
  188    HA   LYS  27           HA       LYS   2   2.653  -3.671  -3.065
  189   1HB   LYS  27          1HB       LYS   2   2.987  -4.558  -0.481
  190   2HB   LYS  27          2HB       LYS   2   1.265  -4.878  -0.652
  191   1HG   LYS  27          1HG       LYS   2   2.347  -6.909  -1.282
  192   2HG   LYS  27          2HG       LYS   2   1.862  -6.196  -2.824
  193   1HD   LYS  27          1HD       LYS   2   4.214  -5.297  -3.133
  194   2HD   LYS  27          2HD       LYS   2   4.661  -5.930  -1.543
  195   1HE   LYS  27          1HE       LYS   2   4.112  -8.269  -2.320
  196   2HE   LYS  27          2HE       LYS   2   3.655  -7.632  -3.912
  197   1HZ   LYS  27          1HZ       LYS   2   6.330  -7.322  -2.655
  198   2HZ   LYS  27          2HZ       LYS   2   5.910  -6.734  -4.121
  199    H    CYS  28           H        CYS   2   0.704  -4.970  -3.685
  200    HA   CYS  28           HA       CYS   2  -1.886  -3.503  -3.158
  201   1HB   CYS  28          1HB       CYS   2  -1.081  -2.408  -5.233
  202   2HB   CYS  28          2HB       CYS   2  -0.833  -4.005  -5.973
  203    H    MET  29           H        MET   2  -3.339  -4.797  -2.898
  204    HA   MET  29           HA       MET   2  -3.480  -7.479  -4.192
  205   1HB   MET  29          1HB       MET   2  -2.839  -7.293  -1.191
  206   2HB   MET  29          2HB       MET   2  -3.771  -8.643  -1.836
  207   1HG   MET  29          1HG       MET   2  -1.915  -9.218  -3.432
  208   2HG   MET  29          2HG       MET   2  -0.930  -7.901  -2.760
  209   1HE   MET  29          1HE       MET   2   0.222  -7.845  -0.577
  210   2HE   MET  29          2HE       MET   2  -1.299  -7.859   0.369
  211   3HE   MET  29          3HE       MET   2   0.017  -8.997   0.777
  212    H    ASN  30           H        ASN   3  -5.434  -8.279  -4.176
  213    HA   ASN  30           HA       ASN   3  -7.809  -8.247  -4.085
  214   1HB   ASN  30          1HB       ASN   3  -7.241  -7.292  -1.219
  215   2HB   ASN  30          2HB       ASN   3  -8.766  -7.988  -1.794
  216   1HD2  ASN  30          2HD2      ASN   3  -6.486 -10.639  -0.275
  217   2HD2  ASN  30          1HD2      ASN   3  -7.027  -8.967   0.251
  218    H    ARG  31           H        ARG   3  -6.765  -5.954  -5.202
  219    HA   ARG  31           HA       ARG   3  -7.402  -3.791  -5.849
  220   1HB   ARG  31          1HB       ARG   3 -10.086  -4.534  -4.579
  221   2HB   ARG  31          2HB       ARG   3  -9.798  -3.136  -5.623
  222   1HG   ARG  31          1HG       ARG   3  -8.957  -4.713  -7.446
  223   2HG   ARG  31          2HG       ARG   3  -9.430  -6.089  -6.440
  224   1HD   ARG  31          1HD       ARG   3 -11.304  -3.853  -7.399
  225   2HD   ARG  31          2HD       ARG   3 -11.205  -5.423  -8.160
  226   1HH1  ARG  31          2HH1      ARG   3 -11.162  -7.335  -7.476
  227   2HH1  ARG  31          1HH1      ARG   3 -12.167  -8.586  -6.587
  228   1HH2  ARG  31          2HH2      ARG   3 -13.703  -6.231  -4.590
  229   2HH2  ARG  31          1HH2      ARG   3 -13.519  -7.997  -5.051
  230    H    LYS  32           H        LYS   3  -6.069  -4.071  -3.275
  231    HA   LYS  32           HA       LYS   3  -6.763  -1.261  -2.366
  232   1HB   LYS  32          1HB       LYS   3  -8.178  -3.085  -1.135
  233   2HB   LYS  32          2HB       LYS   3  -6.661  -3.675  -0.456
  234   1HG   LYS  32          1HG       LYS   3  -6.270  -1.473   0.650
  235   2HG   LYS  32          2HG       LYS   3  -7.687  -0.781  -0.160
  236   1HD   LYS  32          1HD       LYS   3  -9.177  -2.467   0.955
  237   2HD   LYS  32          2HD       LYS   3  -7.777  -3.195   1.753
  238   1HE   LYS  32          1HE       LYS   3  -7.301  -1.016   2.930
  239   2HE   LYS  32          2HE       LYS   3  -8.684  -0.265   2.109
  240   1HZ   LYS  32          1HZ       LYS   3 -10.135  -1.885   3.150
  241   2HZ   LYS  32          2HZ       LYS   3  -9.304  -1.048   4.283
  242    H    CYS  33           H        CYS   3  -4.789  -0.184  -1.830
  243    HA   CYS  33           HA       CYS   3  -2.384  -1.594  -1.845
  244   1HB   CYS  33          2HB       CYS   3  -3.163   1.029  -0.497
  245   2HB   CYS  33          1HB       CYS   3  -1.497   0.590  -0.927
  246    H    HIS  34           H        HIS   3  -1.428  -2.669  -0.559
  247    HA   HIS  34           HA       HIS   3  -2.026  -2.654   2.461
  248   1HB   HIS  34          1HB       HIS   3  -1.082  -5.010   0.731
  249   2HB   HIS  34          2HB       HIS   3  -0.810  -4.929   2.475
  250    HD2  HIS  34           HD2      HIS   3  -3.821  -4.561   0.056
  251    HE1  HIS  34           HE1      HIS   3  -5.357  -6.198   3.511
  252    HE2  HIS  34           HE2      HIS   3  -6.039  -5.519   1.160
  253    H    CYS  35           H        CYS   3   0.063  -2.860   3.577
  254    HA   CYS  35           HA       CYS   3   2.482  -2.187   1.803
  255   1HB   CYS  35          2HB       CYS   3   2.022  -0.568   4.340
  256   2HB   CYS  35          1HB       CYS   3   3.135  -0.306   2.974
  257    H    THR  36           H        THR   3   4.448  -1.950   3.471
  258    HA   THR  36           HA       THR   3   4.427  -4.735   4.624
  259    HB   THR  36           HB       THR   3   6.649  -2.731   4.089
  260    HG1  THR  36           HG1      THR   3   5.593  -3.700   2.340
  261   1HG2  THR  36          1HG2      THR   3   6.797  -5.666   5.056
  262   2HG2  THR  36          3HG2      THR   3   8.185  -4.701   4.494
  263   3HG2  THR  36          2HG2      THR   3   7.339  -4.243   5.990
  264    HA   PRO  37           HA       PRO   3   4.030  -2.310   8.600
  265   1HB   PRO  37          1HB       PRO   3   4.738  -4.134  10.544
  266   2HB   PRO  37          2HB       PRO   3   3.216  -4.265   9.620
  267   1HG   PRO  37          1HG       PRO   3   5.865  -5.689   9.037
  268   2HG   PRO  37          2HG       PRO   3   4.247  -6.432   9.201
  269   1HD   PRO  37          1HD       PRO   3   5.262  -5.802   6.718
  270   2HD   PRO  37          2HD       PRO   3   3.523  -5.514   7.067
  271    H    LYS  38           H        LYS   3   5.301  -1.104   9.893
  272    HA   LYS  38           HA       LYS   3   8.168  -1.083   9.130
  273   1HB   LYS  38          1HB       LYS   3   8.392   0.884  10.599
  274   2HB   LYS  38          2HB       LYS   3   7.015   1.052   9.511
  275   1HG   LYS  38          1HG       LYS   3   5.446   0.384  11.386
  276   2HG   LYS  38          2HG       LYS   3   6.832   0.219  12.478
  277   1HD   LYS  38          1HD       LYS   3   7.429   2.631  12.095
  278   2HD   LYS  38          2HD       LYS   3   6.108   2.782  10.930
  279   1HE   LYS  38          1HE       LYS   3   5.342   3.691  13.071
  280   2HE   LYS  38          2HE       LYS   3   4.442   2.197  12.753
  281   1HZ   LYS  38          1HZ       LYS   3   5.287   2.310  15.016
  282   2HZ   LYS  38          2HZ       LYS   3   6.832   2.455  14.502
  283    HXT  LYS  38           HO       OH    3   9.806  -2.123  12.002
   
  No H/Q in entry =         283
  Start of MODEL   10
    1   1H    GLY   1          1H        GLY   1  -0.823  -7.344   8.758
    2   2H    GLY   1          2H        GLY   1  -0.037  -6.894   7.397
    3   1HA   GLY   1          1HA       GLY   1  -1.943  -7.506   6.008
    4   2HA   GLY   1          2HA       GLY   1  -2.798  -7.995   7.487
    5    H    VAL   2           H        VAL   2  -0.567  -5.288   7.053
    6    HA   VAL   2           HA       VAL   2  -2.716  -3.436   8.173
    7    HB   VAL   2           HB       VAL   2   0.285  -3.058   7.634
    8   1HG1  VAL   2          3HG1      VAL   2  -1.755  -1.140   8.932
    9   2HG1  VAL   2          1HG1      VAL   2   0.013  -0.911   8.932
   10   3HG1  VAL   2          2HG1      VAL   2  -0.886  -0.862   7.397
   11   1HG2  VAL   2          3HG2      VAL   2  -1.370  -3.369  10.226
   12   2HG2  VAL   2          2HG2      VAL   2  -0.140  -4.513   9.622
   13   3HG2  VAL   2          1HG2      VAL   2   0.347  -2.900  10.181
   14    H    GLU   3           H        GLU   3  -3.682  -2.004   6.879
   15    HA   GLU   3           HA       GLU   3  -2.534  -1.443   4.155
   16   1HB   GLU   3          1HB       GLU   3  -4.541  -2.212   2.930
   17   2HB   GLU   3          2HB       GLU   3  -3.752  -3.553   3.757
   18   1HG   GLU   3          1HG       GLU   3  -5.491  -3.461   5.601
   19   2HG   GLU   3          2HG       GLU   3  -6.279  -2.094   4.796
   20    HE2  GLU   3           HE2      GLU   3  -6.800  -4.886   5.415
   21    H    ILE   4           H        ILE   4  -3.056   0.458   3.409
   22    HA   ILE   4           HA       ILE   4  -4.686   2.199   5.227
   23    HB   ILE   4           HB       ILE   4  -4.181   4.026   3.601
   24   1HG1  ILE   4          1HG1      ILE   4  -2.364   1.970   2.194
   25   2HG1  ILE   4          2HG1      ILE   4  -3.920   2.502   1.547
   26   1HG2  ILE   4          2HG2      ILE   4  -2.783   3.407   5.622
   27   2HG2  ILE   4          1HG2      ILE   4  -1.749   2.398   4.578
   28   3HG2  ILE   4          3HG2      ILE   4  -1.807   4.166   4.348
   29   1HD1  ILE   4          1HD1      ILE   4  -3.091   4.912   1.579
   30   2HD1  ILE   4          3HD1      ILE   4  -1.492   4.328   2.108
   31   3HD1  ILE   4          2HD1      ILE   4  -2.130   3.845   0.522
   32    H    ASN   5           H        ASN   5  -6.517   3.420   4.424
   33    HA   ASN   5           HA       ASN   5  -8.316   1.554   2.918
   34   1HB   ASN   5          1HB       ASN   5 -10.071   3.308   3.448
   35   2HB   ASN   5          2HB       ASN   5  -9.257   2.600   4.848
   36   1HD2  ASN   5          1HD2      ASN   5  -8.916   5.934   5.964
   37   2HD2  ASN   5          2HD2      ASN   5  -9.793   4.328   6.101
   38    H    VAL   6           H        VAL   6  -6.953   1.789   0.957
   39    HA   VAL   6           HA       VAL   6  -8.264   3.870  -0.852
   40    HB   VAL   6           HB       VAL   6  -5.309   3.186  -1.164
   41   1HG1  VAL   6          1HG1      VAL   6  -6.488   4.037  -3.190
   42   2HG1  VAL   6          3HG1      VAL   6  -7.044   5.469  -2.283
   43   3HG1  VAL   6          2HG1      VAL   6  -5.309   5.239  -2.615
   44   1HG2  VAL   6          3HG2      VAL   6  -5.420   4.507   0.977
   45   2HG2  VAL   6          1HG2      VAL   6  -4.655   5.451  -0.330
   46   3HG2  VAL   6          2HG2      VAL   6  -6.344   5.783   0.140
   47    H    LYS   7           H        LYS   7  -8.836   2.970  -2.659
   48    HA   LYS   7           HA       LYS   7  -8.312  -0.008  -2.969
   49   1HB   LYS   7          1HB       LYS   7 -10.082   1.910  -4.613
   50   2HB   LYS   7          2HB       LYS   7  -9.915   0.178  -4.927
   51   1HG   LYS   7          1HG       LYS   7 -10.741  -0.317  -2.581
   52   2HG   LYS   7          2HG       LYS   7 -10.989   1.416  -2.313
   53   1HD   LYS   7          1HD       LYS   7 -12.557   1.499  -4.286
   54   2HD   LYS   7          2HD       LYS   7 -12.314  -0.234  -4.553
   55   1HE   LYS   7          1HE       LYS   7 -13.199  -0.716  -2.233
   56   2HE   LYS   7          2HE       LYS   7 -13.443   1.021  -1.967
   57   1HZ   LYS   7          1HZ       LYS   7 -14.721  -0.608  -4.099
   58   2HZ   LYS   7          2HZ       LYS   7 -15.452  -0.085  -2.733
   59    H    CYS   8           H        CYS   8  -6.696  -0.683  -4.217
   60    HA   CYS   8           HA       CYS   8  -5.201   1.401  -5.813
   61   1HB   CYS   8          1HB       CYS   8  -3.387  -0.087  -5.822
   62   2HB   CYS   8          2HB       CYS   8  -4.164  -0.385  -4.272
   63    H    SER   9           H        SER   9  -4.111   0.470  -7.688
   64    HA   SER   9           HA       SER   9  -5.994  -1.066  -9.566
   65   1HB   SER   9          1HB       SER   9  -5.944   1.532  -9.678
   66   2HB   SER   9          2HB       SER   9  -4.287   1.407 -10.284
   67    HG   SER   9           HG       SER   9  -6.591   0.168 -11.412
   68    H    GLY  10           H        GLY   1  -3.479  -1.161  -7.878
   69   1HA   GLY  10          1HA       GLY   1  -1.973  -3.229  -8.945
   70   2HA   GLY  10          2HA       GLY   1  -1.387  -1.881  -9.952
   71    H    SER  11           H        SER   1   0.206  -3.409  -8.303
   72    HA   SER  11           HA       SER   1   0.721  -2.132  -5.762
   73   1HB   SER  11          1HB       SER   1   2.841  -3.292  -5.689
   74   2HB   SER  11          2HB       SER   1   1.558  -4.348  -6.289
   75    HG   SER  11           HG       SER   1   3.460  -4.476  -7.540
   76    HA   PRO  12           HA       PRO   1   3.937   0.901  -7.389
   77   1HB   PRO  12          1HB       PRO   1   3.551   2.097  -9.939
   78   2HB   PRO  12          2HB       PRO   1   4.780   0.887  -9.490
   79   1HG   PRO  12          1HG       PRO   1   2.041   0.406 -10.743
   80   2HG   PRO  12          2HG       PRO   1   3.605  -0.325 -11.208
   81   1HD   PRO  12          1HD       PRO   1   1.897  -1.749  -9.662
   82   2HD   PRO  12          2HD       PRO   1   3.624  -1.720  -9.184
   83    H    GLN  13           H        GLN   1   0.534   1.092  -8.021
   84    HA   GLN  13           HA       GLN   1   0.458   4.080  -7.642
   85   1HB   GLN  13          1HB       GLN   1  -1.174   2.844  -9.136
   86   2HB   GLN  13          2HB       GLN   1  -1.810   1.993  -7.723
   87   1HG   GLN  13          1HG       GLN   1  -2.497   4.193  -6.694
   88   2HG   GLN  13          2HG       GLN   1  -1.782   5.062  -8.064
   89   1HE2  GLN  13          2HE2      GLN   1  -4.447   4.308 -10.312
   90   2HE2  GLN  13          1HE2      GLN   1  -2.702   4.844 -10.119
   91    H    CYS  14           H        CYS   1   0.534   1.171  -5.812
   92    HA   CYS  14           HA       CYS   1  -0.847   2.271  -3.367
   93   1HB   CYS  14          1HB       CYS   1   0.883  -0.250  -3.873
   94   2HB   CYS  14          2HB       CYS   1   0.377   0.266  -2.262
   95    H    LEU  15           H        LEU   1   2.291   1.718  -4.786
   96    HA   LEU  15           HA       LEU   1   4.105   2.137  -2.676
   97   1HB   LEU  15          1HB       LEU   1   4.631   1.487  -5.051
   98   2HB   LEU  15          2HB       LEU   1   4.303   3.132  -5.577
   99    HG   LEU  15           HG       LEU   1   6.236   3.967  -4.167
  100   1HD1  LEU  15          2HD1      LEU   1   6.763   0.946  -3.778
  101   2HD1  LEU  15          3HD1      LEU   1   7.900   2.257  -3.364
  102   3HD1  LEU  15          1HD1      LEU   1   6.361   2.101  -2.478
  103   1HD2  LEU  15          1HD2      LEU   1   6.459   3.436  -6.598
  104   2HD2  LEU  15          3HD2      LEU   1   7.962   3.053  -5.717
  105   3HD2  LEU  15          2HD2      LEU   1   6.853   1.742  -6.201
  106    H    LYS  16           H        LYS   1   2.765   4.523  -4.778
  107    HA   LYS  16           HA       LYS   1   4.083   6.883  -3.817
  108   1HB   LYS  16          1HB       LYS   1   2.863   6.819  -5.933
  109   2HB   LYS  16          2HB       LYS   1   1.317   6.801  -5.074
  110   1HG   LYS  16          1HG       LYS   1   1.885   9.000  -3.984
  111   2HG   LYS  16          2HG       LYS   1   3.459   8.999  -4.799
  112   1HD   LYS  16          1HD       LYS   1   2.307   9.001  -7.040
  113   2HD   LYS  16          2HD       LYS   1   0.733   8.901  -6.241
  114   1HE   LYS  16          1HE       LYS   1   1.134  11.240  -6.861
  115   2HE   LYS  16          2HE       LYS   1   1.177  11.117  -5.093
  116   1HZ   LYS  16          1HZ       LYS   1   3.587  11.044  -5.201
  117   2HZ   LYS  16          2HZ       LYS   1   3.021  12.403  -5.911
  118    HA   PRO  17           HA       PRO   1   1.329   7.923  -0.271
  119   1HB   PRO  17          1HB       PRO   1  -0.690   6.289   0.739
  120   2HB   PRO  17          2HB       PRO   1  -0.965   7.470  -0.572
  121   1HG   PRO  17          1HG       PRO   1  -0.327   4.483  -0.885
  122   2HG   PRO  17          2HG       PRO   1  -1.702   5.381  -1.599
  123   1HD   PRO  17          1HD       PRO   1   0.518   5.045  -3.140
  124   2HD   PRO  17          2HD       PRO   1  -0.205   6.659  -3.050
  125    H    CYS  18           H        CYS   1   2.090   4.535  -0.749
  126    HA   CYS  18           HA       CYS   1   2.707   4.094   2.113
  127   1HB   CYS  18          1HB       CYS   1   2.942   2.403  -0.391
  128   2HB   CYS  18          2HB       CYS   1   3.888   1.923   1.017
  129    H    LYS  19           H        LYS   1   4.490   5.762  -0.124
  130    HA   LYS  19           HA       LYS   1   6.939   5.494   1.712
  131   1HB   LYS  19          1HB       LYS   1   6.630   5.831  -1.367
  132   2HB   LYS  19          2HB       LYS   1   8.127   6.293  -0.557
  133   1HG   LYS  19          1HG       LYS   1   6.928   3.470  -0.322
  134   2HG   LYS  19          2HG       LYS   1   8.063   3.954  -1.597
  135   1HD   LYS  19          1HD       LYS   1   9.613   4.834   0.335
  136   2HD   LYS  19          2HD       LYS   1   8.587   3.890   1.426
  137   1HE   LYS  19          1HE       LYS   1   9.060   1.828  -0.027
  138   2HE   LYS  19          2HE       LYS   1  10.132   2.819  -1.029
  139   1HZ   LYS  19          1HZ       LYS   1  11.370   1.673   0.666
  140   2HZ   LYS  19          2HZ       LYS   1  11.470   3.284   0.921
  141    H    ASP  20           H        ASP   2   4.384   7.020   1.209
  142    HA   ASP  20           HA       ASP   2   5.666   9.709   1.765
  143   1HB   ASP  20          1HB       ASP   2   4.904   9.521  -0.705
  144   2HB   ASP  20          2HB       ASP   2   3.243   9.495  -0.100
  145    HD2  ASP  20           HD2      ASP   2   5.484  12.836  -0.220
  146    H    ALA  21           H        ALA   2   3.934   7.455   2.907
  147    HA   ALA  21           HA       ALA   2   2.844   9.410   4.972
  148   1HB   ALA  21          1HB       ALA   2   0.978   8.489   3.472
  149   2HB   ALA  21          2HB       ALA   2   1.433   6.842   3.980
  150   3HB   ALA  21          3HB       ALA   2   0.794   7.993   5.176
  151    H    GLY  22           H        GLY   2   5.247   8.256   5.041
  152   1HA   GLY  22          2HA       GLY   2   6.636   7.172   6.679
  153   2HA   GLY  22          1HA       GLY   2   5.234   7.218   7.765
  154    H    MET  23           H        MET   2   6.069   5.524   4.691
  155    HA   MET  23           HA       MET   2   5.769   2.887   6.239
  156   1HB   MET  23          1HB       MET   2   3.554   3.664   5.513
  157   2HB   MET  23          2HB       MET   2   4.153   4.130   3.946
  158   1HG   MET  23          1HG       MET   2   2.797   1.966   3.968
  159   2HG   MET  23          2HG       MET   2   4.403   1.838   3.212
  160   1HE   MET  23          3HE       MET   2   2.613   1.843   6.479
  161   2HE   MET  23          1HE       MET   2   2.894   0.201   7.130
  162   3HE   MET  23          2HE       MET   2   4.049   1.525   7.508
  163    H    ARG  24           H        ARG   2   6.550   1.024   4.794
  164    HA   ARG  24           HA       ARG   2   9.079   2.085   3.429
  165   1HB   ARG  24          1HB       ARG   2   8.594  -0.722   4.507
  166   2HB   ARG  24          2HB       ARG   2  10.058  -0.124   3.688
  167   1HG   ARG  24          1HG       ARG   2  10.260   1.672   5.436
  168   2HG   ARG  24          2HG       ARG   2   8.981   0.850   6.358
  169   1HD   ARG  24          1HD       ARG   2  10.310  -1.265   6.369
  170   2HD   ARG  24          2HD       ARG   2  11.556  -0.511   5.346
  171   1HH1  ARG  24          1HH2      ARG   2  12.249  -2.006   6.646
  172   2HH1  ARG  24          2HH2      ARG   2  13.471  -2.170   8.005
  173   1HH2  ARG  24          2HH1      ARG   2  12.694   0.938   9.316
  174   2HH2  ARG  24          1HH1      ARG   2  13.710  -0.584   9.442
  175    H    PHE  25           H        PHE   2   8.621  -0.840   2.607
  176    HA   PHE  25           HA       PHE   2   7.931  -0.123  -0.197
  177   1HB   PHE  25          1HB       PHE   2   7.638  -2.985   0.768
  178   2HB   PHE  25          2HB       PHE   2   8.114  -2.410  -0.823
  179    HD1  PHE  25           HD2      PHE   2  10.278  -0.873  -0.790
  180    HD2  PHE  25           HD1      PHE   2   9.337  -3.695   2.162
  181    HE1  PHE  25           HE2      PHE   2  12.611  -0.989  -0.158
  182    HE2  PHE  25           HE1      PHE   2  11.670  -3.811   2.795
  183    HZ   PHE  25           HZ       PHE   2  13.307  -2.458   1.635
  184    H    GLY  26           H        GLY   2   6.253  -1.267  -1.330
  185   1HA   GLY  26          1HA       GLY   2   3.606  -1.347   0.211
  186   2HA   GLY  26          2HA       GLY   2   3.731  -0.219  -1.143
  187    H    LYS  27           H        LYS   2   2.273  -2.732  -0.530
  188    HA   LYS  27           HA       LYS   2   2.628  -3.861  -3.336
  189   1HB   LYS  27          1HB       LYS   2   2.808  -6.197  -2.608
  190   2HB   LYS  27          2HB       LYS   2   4.171  -5.237  -2.043
  191   1HG   LYS  27          1HG       LYS   2   3.095  -5.080   0.256
  192   2HG   LYS  27          2HG       LYS   2   1.766  -6.100  -0.321
  193   1HD   LYS  27          1HD       LYS   2   3.434  -7.884  -0.971
  194   2HD   LYS  27          2HD       LYS   2   4.738  -6.898  -0.299
  195   1HE   LYS  27          1HE       LYS   2   2.290  -7.905   1.294
  196   2HE   LYS  27          2HE       LYS   2   3.889  -8.671   1.304
  197   1HZ   LYS  27          1HZ       LYS   2   3.589  -7.161   3.160
  198   2HZ   LYS  27          2HZ       LYS   2   3.298  -5.894   2.169
  199    H    CYS  28           H        CYS   2   0.843  -3.927  -4.291
  200    HA   CYS  28           HA       CYS   2  -1.624  -3.720  -2.689
  201   1HB   CYS  28          1HB       CYS   2  -1.342  -2.601  -4.953
  202   2HB   CYS  28          2HB       CYS   2  -1.674  -4.190  -5.693
  203    H    MET  29           H        MET   2  -3.199  -5.057  -2.380
  204    HA   MET  29           HA       MET   2  -3.098  -7.850  -3.498
  205   1HB   MET  29          1HB       MET   2  -1.606  -7.862  -1.426
  206   2HB   MET  29          2HB       MET   2  -2.990  -7.336  -0.457
  207   1HG   MET  29          1HG       MET   2  -4.258  -9.418  -1.152
  208   2HG   MET  29          2HG       MET   2  -2.872  -9.927  -2.141
  209   1HE   MET  29          1HE       MET   2  -4.194 -11.715   0.122
  210   2HE   MET  29          3HE       MET   2  -2.795 -12.223  -0.872
  211   3HE   MET  29          2HE       MET   2  -2.735 -12.389   0.910
  212    H    ASN  30           H        ASN   3  -5.041  -8.463  -3.886
  213    HA   ASN  30           HA       ASN   3  -7.407  -8.417  -4.085
  214   1HB   ASN  30          1HB       ASN   3  -7.278  -7.581  -1.128
  215   2HB   ASN  30          2HB       ASN   3  -8.685  -8.259  -1.954
  216   1HD2  ASN  30          1HD2      ASN   3  -6.971 -11.557  -2.272
  217   2HD2  ASN  30          2HD2      ASN   3  -7.749 -10.320  -3.381
  218    H    ARG  31           H        ARG   3  -6.215  -6.130  -4.970
  219    HA   ARG  31           HA       ARG   3  -6.726  -3.916  -5.613
  220   1HB   ARG  31          1HB       ARG   3  -9.557  -4.533  -4.618
  221   2HB   ARG  31          2HB       ARG   3  -9.100  -3.221  -5.699
  222   1HG   ARG  31          1HG       ARG   3  -8.849  -6.231  -6.364
  223   2HG   ARG  31          2HG       ARG   3 -10.149  -5.164  -6.878
  224   1HD   ARG  31          1HD       ARG   3  -8.495  -3.701  -8.094
  225   2HD   ARG  31          2HD       ARG   3  -7.189  -4.823  -7.636
  226   1HH1  ARG  31          2HH1      ARG   3  -6.949  -3.886  -9.497
  227   2HH1  ARG  31          1HH1      ARG   3  -6.750  -4.375 -11.254
  228   1HH2  ARG  31          1HH2      ARG   3  -9.048  -6.949 -10.982
  229   2HH2  ARG  31          2HH2      ARG   3  -7.881  -6.025 -12.054
  230    H    LYS  32           H        LYS   3  -5.803  -4.359  -2.854
  231    HA   LYS  32           HA       LYS   3  -6.464  -1.503  -1.979
  232   1HB   LYS  32          1HB       LYS   3  -6.722  -4.096  -0.326
  233   2HB   LYS  32          2HB       LYS   3  -6.400  -2.543   0.443
  234   1HG   LYS  32          1HG       LYS   3  -8.483  -1.569  -0.595
  235   2HG   LYS  32          2HG       LYS   3  -8.829  -3.135  -1.342
  236   1HD   LYS  32          1HD       LYS   3  -8.918  -4.198   0.961
  237   2HD   LYS  32          2HD       LYS   3  -8.539  -2.630   1.688
  238   1HE   LYS  32          1HE       LYS   3 -10.957  -2.957   1.828
  239   2HE   LYS  32          2HE       LYS   3 -10.647  -1.655   0.666
  240   1HZ   LYS  32          1HZ       LYS   3 -12.240  -3.217  -0.196
  241   2HZ   LYS  32          2HZ       LYS   3 -10.894  -3.255  -1.124
  242    H    CYS  33           H        CYS   3  -4.570  -0.495  -1.251
  243    HA   CYS  33           HA       CYS   3  -2.128  -1.891  -1.457
  244   1HB   CYS  33          2HB       CYS   3  -2.823   0.628   0.091
  245   2HB   CYS  33          1HB       CYS   3  -1.204   0.222  -0.520
  246    H    HIS  34           H        HIS   3  -1.218  -3.123  -0.281
  247    HA   HIS  34           HA       HIS   3  -1.671  -3.242   2.770
  248   1HB   HIS  34          1HB       HIS   3  -0.870  -5.507   0.829
  249   2HB   HIS  34          2HB       HIS   3  -0.532  -5.572   2.559
  250    HD2  HIS  34           HD2      HIS   3  -3.787  -4.675   0.531
  251    HE1  HIS  34           HE1      HIS   3  -4.892  -7.313   3.511
  252    HE2  HIS  34           HE2      HIS   3  -5.840  -6.023   1.529
  253    H    CYS  35           H        CYS   3   0.502  -3.176   3.801
  254    HA   CYS  35           HA       CYS   3   2.827  -2.791   1.865
  255   1HB   CYS  35          2HB       CYS   3   1.913  -0.536   3.757
  256   2HB   CYS  35          1HB       CYS   3   3.386  -0.583   2.770
  257    H    THR  36           H        THR   3   4.761  -1.839   3.586
  258    HA   THR  36           HA       THR   3   5.000  -4.372   5.262
  259    HB   THR  36           HB       THR   3   7.054  -2.354   4.338
  260    HG1  THR  36           HG1      THR   3   6.345  -4.975   3.534
  261   1HG2  THR  36          2HG2      THR   3   7.312  -5.093   5.753
  262   2HG2  THR  36          3HG2      THR   3   8.667  -4.212   5.003
  263   3HG2  THR  36          1HG2      THR   3   7.841  -3.523   6.418
  264    HA   PRO  37           HA       PRO   3   4.201  -0.988   8.537
  265   1HB   PRO  37          1HB       PRO   3   4.832  -3.351  10.352
  266   2HB   PRO  37          2HB       PRO   3   3.598  -2.082  10.585
  267   1HG   PRO  37          1HG       PRO   3   2.776  -4.465   9.628
  268   2HG   PRO  37          2HG       PRO   3   2.236  -2.986   8.778
  269   1HD   PRO  37          1HD       PRO   3   4.530  -4.850   7.973
  270   2HD   PRO  37          2HD       PRO   3   3.227  -4.166   6.955
  271    H    LYS  38           H        LYS   3   5.474   0.390   9.118
  272    HA   LYS  38           HA       LYS   3   7.304   1.546  10.047
  273   1HB   LYS  38          1HB       LYS   3   8.153  -1.106  11.331
  274   2HB   LYS  38          2HB       LYS   3   8.781   0.488  11.738
  275   1HG   LYS  38          1HG       LYS   3   5.856  -0.421  12.143
  276   2HG   LYS  38          2HG       LYS   3   7.102  -0.382  13.384
  277   1HD   LYS  38          1HD       LYS   3   7.403   2.104  13.018
  278   2HD   LYS  38          2HD       LYS   3   6.062   2.083  11.865
  279   1HE   LYS  38          1HE       LYS   3   5.866   1.193  14.817
  280   2HE   LYS  38          2HE       LYS   3   5.360   2.776  14.198
  281   1HZ   LYS  38          1HZ       LYS   3   4.267   0.171  13.285
  282   2HZ   LYS  38          2HZ       LYS   3   3.806   1.633  12.718
  283    HXT  LYS  38           HO       OH    3   8.771   2.219   9.144
   
  No H/Q in entry =         283
  Start of MODEL   11
    1   1H    GLY   1          1H        GLY   1   1.516  -7.643   5.444
    2   2H    GLY   1          2H        GLY   1   1.073  -6.070   5.456
    3   1HA   GLY   1          1HA       GLY   1   0.423  -8.064   7.562
    4   2HA   GLY   1          2HA       GLY   1   1.659  -6.794   7.680
    5    H    VAL   2           H        VAL   2   0.433  -4.706   6.467
    6    HA   VAL   2           HA       VAL   2  -2.104  -4.180   8.101
    7    HB   VAL   2           HB       VAL   2  -1.277  -1.889   8.609
    8   1HG1  VAL   2          1HG1      VAL   2  -1.015  -3.700  10.299
    9   2HG1  VAL   2          2HG1      VAL   2   0.596  -4.095   9.639
   10   3HG1  VAL   2          3HG1      VAL   2   0.309  -2.509  10.404
   11   1HG2  VAL   2          1HG2      VAL   2   0.445  -1.679   6.743
   12   2HG2  VAL   2          3HG2      VAL   2   1.082  -1.290   8.356
   13   3HG2  VAL   2          2HG2      VAL   2   1.487  -2.846   7.608
   14    H    GLU   3           H        GLU   3  -2.744  -1.761   7.153
   15    HA   GLU   3           HA       GLU   3  -2.230  -1.680   4.215
   16   1HB   GLU   3          1HB       GLU   3  -4.543  -2.249   3.502
   17   2HB   GLU   3          2HB       GLU   3  -3.815  -3.584   4.381
   18   1HG   GLU   3          1HG       GLU   3  -5.115  -2.927   6.461
   19   2HG   GLU   3          2HG       GLU   3  -5.829  -1.567   5.578
   20    HE2  GLU   3           HE2      GLU   3  -8.073  -3.401   3.801
   21    H    ILE   4           H        ILE   4  -4.022  -0.205   3.209
   22    HA   ILE   4           HA       ILE   4  -4.800   2.024   5.154
   23    HB   ILE   4           HB       ILE   4  -4.066   3.689   3.353
   24   1HG1  ILE   4          1HG1      ILE   4  -2.184   1.433   2.453
   25   2HG1  ILE   4          2HG1      ILE   4  -3.671   1.846   1.591
   26   1HG2  ILE   4          2HG2      ILE   4  -2.909   3.352   5.570
   27   2HG2  ILE   4          3HG2      ILE   4  -1.806   2.181   4.798
   28   3HG2  ILE   4          1HG2      ILE   4  -1.795   3.893   4.300
   29   1HD1  ILE   4          1HD1      ILE   4  -2.843   4.242   1.338
   30   2HD1  ILE   4          2HD1      ILE   4  -1.302   3.765   2.095
   31   3HD1  ILE   4          3HD1      ILE   4  -1.788   3.046   0.542
   32    H    ASN   5           H        ASN   5  -6.313   3.517   4.111
   33    HA   ASN   5           HA       ASN   5  -8.305   1.844   2.608
   34   1HB   ASN   5          1HB       ASN   5  -8.470   4.749   3.588
   35   2HB   ASN   5          2HB       ASN   5  -9.822   3.784   2.971
   36   1HD2  ASN   5          2HD2      ASN   5  -8.868   3.505   6.842
   37   2HD2  ASN   5          1HD2      ASN   5  -8.340   4.820   5.677
   38    H    VAL   6           H        VAL   6  -6.627   1.877   0.760
   39    HA   VAL   6           HA       VAL   6  -7.659   3.910  -1.254
   40    HB   VAL   6           HB       VAL   6  -4.708   3.141  -1.221
   41   1HG1  VAL   6          1HG1      VAL   6  -6.274   5.338  -2.701
   42   2HG1  VAL   6          3HG1      VAL   6  -4.516   5.078  -2.820
   43   3HG1  VAL   6          2HG1      VAL   6  -5.637   3.836  -3.423
   44   1HG2  VAL   6          2HG2      VAL   6  -5.024   4.633   0.790
   45   2HG2  VAL   6          1HG2      VAL   6  -4.101   5.463  -0.492
   46   3HG2  VAL   6          3HG2      VAL   6  -5.825   5.849  -0.241
   47    H    LYS   7           H        LYS   7  -8.093   2.899  -3.027
   48    HA   LYS   7           HA       LYS   7  -7.631  -0.100  -3.071
   49   1HB   LYS   7          1HB       LYS   7  -9.102  -0.078  -5.125
   50   2HB   LYS   7          2HB       LYS   7  -9.879   0.356  -3.612
   51   1HG   LYS   7          1HG       LYS   7  -8.803   2.713  -5.167
   52   2HG   LYS   7          2HG       LYS   7 -10.049   1.797  -6.002
   53   1HD   LYS   7          1HD       LYS   7 -10.415   2.762  -3.109
   54   2HD   LYS   7          2HD       LYS   7 -10.816   3.762  -4.509
   55   1HE   LYS   7          1HE       LYS   7 -12.382   1.989  -5.368
   56   2HE   LYS   7          2HE       LYS   7 -12.026   0.980  -3.954
   57   1HZ   LYS   7          1HZ       LYS   7 -12.803   2.806  -2.542
   58   2HZ   LYS   7          2HZ       LYS   7 -13.135   3.734  -3.846
   59    H    CYS   8           H        CYS   8  -5.839  -0.778  -3.858
   60    HA   CYS   8           HA       CYS   8  -4.326   0.977  -5.829
   61   1HB   CYS   8          1HB       CYS   8  -2.503  -0.729  -5.625
   62   2HB   CYS   8          2HB       CYS   8  -2.920   0.110  -4.131
   63    H    SER   9           H        SER   9  -3.569   0.372  -7.607
   64    HA   SER   9           HA       SER   9  -5.285  -1.642  -9.167
   65   1HB   SER   9          1HB       SER   9  -3.390   0.573 -10.180
   66   2HB   SER   9          2HB       SER   9  -4.376  -0.487 -11.207
   67    HG   SER   9           HG       SER   9  -6.222   0.325 -10.119
   68    H    GLY  10           H        GLY   1  -2.258  -0.828  -7.856
   69   1HA   GLY  10          1HA       GLY   1  -1.147  -3.522  -8.328
   70   2HA   GLY  10          2HA       GLY   1  -0.413  -2.343  -9.454
   71    H    SER  11           H        SER   1   1.138  -3.578  -7.615
   72    HA   SER  11           HA       SER   1   1.376  -2.146  -5.120
   73   1HB   SER  11          1HB       SER   1   3.485  -3.211  -4.784
   74   2HB   SER  11          2HB       SER   1   2.350  -4.344  -5.526
   75    HG   SER  11           HG       SER   1   4.336  -2.822  -6.895
   76    HA   PRO  12           HA       PRO   1   4.490   1.023  -6.611
   77   1HB   PRO  12          1HB       PRO   1   4.311   2.059  -9.247
   78   2HB   PRO  12          2HB       PRO   1   5.541   0.927  -8.625
   79   1HG   PRO  12          1HG       PRO   1   2.951   0.258 -10.096
   80   2HG   PRO  12          2HG       PRO   1   4.584  -0.405 -10.394
   81   1HD   PRO  12          1HD       PRO   1   2.818  -1.855  -8.931
   82   2HD   PRO  12          2HD       PRO   1   4.497  -1.717  -8.316
   83    H    GLN  13           H        GLN   1   1.183   0.891  -7.669
   84    HA   GLN  13           HA       GLN   1   0.812   3.864  -7.451
   85   1HB   GLN  13          1HB       GLN   1  -0.489   2.457  -9.096
   86   2HB   GLN  13          2HB       GLN   1  -1.184   1.531  -7.766
   87   1HG   GLN  13          1HG       GLN   1  -2.807   3.202  -8.546
   88   2HG   GLN  13          2HG       GLN   1  -2.331   3.607  -6.898
   89   1HE2  GLN  13          1HE2      GLN   1  -1.229   6.815  -7.816
   90   2HE2  GLN  13          2HE2      GLN   1  -1.779   5.612  -6.545
   91    H    CYS  14           H        CYS   1   0.930   1.114  -5.421
   92    HA   CYS  14           HA       CYS   1  -0.943   2.111  -3.268
   93   1HB   CYS  14          1HB       CYS   1  -0.456  -0.276  -3.117
   94   2HB   CYS  14          2HB       CYS   1   1.259  -0.095  -3.334
   95    H    LEU  15           H        LEU   1   2.337   1.718  -4.101
   96    HA   LEU  15           HA       LEU   1   3.827   2.533  -1.857
   97   1HB   LEU  15          1HB       LEU   1   4.716   1.538  -4.004
   98   2HB   LEU  15          2HB       LEU   1   4.432   3.062  -4.834
   99    HG   LEU  15           HG       LEU   1   6.142   4.191  -3.331
  100   1HD1  LEU  15          2HD2      LEU   1   6.630   1.299  -2.353
  101   2HD1  LEU  15          1HD2      LEU   1   7.682   2.700  -2.013
  102   3HD1  LEU  15          3HD2      LEU   1   6.030   2.645  -1.346
  103   1HD2  LEU  15          3HD1      LEU   1   6.726   3.262  -5.577
  104   2HD2  LEU  15          2HD1      LEU   1   8.085   3.087  -4.435
  105   3HD2  LEU  15          1HD1      LEU   1   7.073   1.675  -4.840
  106    H    LYS  16           H        LYS   1   2.793   4.543  -4.443
  107    HA   LYS  16           HA       LYS   1   4.008   7.026  -3.525
  108   1HB   LYS  16          1HB       LYS   1   1.585   6.807  -5.344
  109   2HB   LYS  16          2HB       LYS   1   2.483   8.288  -4.993
  110   1HG   LYS  16          1HG       LYS   1   4.613   7.166  -5.821
  111   2HG   LYS  16          2HG       LYS   1   3.661   5.746  -6.287
  112   1HD   LYS  16          1HD       LYS   1   2.226   7.190  -7.773
  113   2HD   LYS  16          2HD       LYS   1   3.181   8.609  -7.315
  114   1HE   LYS  16          1HE       LYS   1   5.264   7.504  -8.226
  115   2HE   LYS  16          2HE       LYS   1   4.307   6.081  -8.685
  116   1HZ   LYS  16          1HZ       LYS   1   3.889   8.851  -9.677
  117   2HZ   LYS  16          2HZ       LYS   1   4.586   7.633 -10.517
  118    HA   PRO  17           HA       PRO   1   0.601   8.382  -0.769
  119   1HB   PRO  17          1HB       PRO   1  -1.590   6.813  -0.019
  120   2HB   PRO  17          2HB       PRO   1  -1.574   7.973  -1.370
  121   1HG   PRO  17          1HG       PRO   1  -1.163   4.954  -1.500
  122   2HG   PRO  17          2HG       PRO   1  -2.188   5.969  -2.556
  123   1HD   PRO  17          1HD       PRO   1   0.327   5.209  -3.388
  124   2HD   PRO  17          2HD       PRO   1  -0.261   6.853  -3.713
  125    H    CYS  18           H        CYS   1   0.877   4.877  -0.422
  126    HA   CYS  18           HA       CYS   1   0.774   4.718   2.466
  127   1HB   CYS  18          1HB       CYS   1   0.868   2.806   0.502
  128   2HB   CYS  18          2HB       CYS   1   2.503   2.648   1.195
  129    H    LYS  19           H        LYS   1   3.568   5.140   0.370
  130    HA   LYS  19           HA       LYS   1   5.366   5.129   2.764
  131   1HB   LYS  19          1HB       LYS   1   6.036   4.326   0.453
  132   2HB   LYS  19          2HB       LYS   1   5.974   5.994  -0.129
  133   1HG   LYS  19          1HG       LYS   1   7.758   6.648   1.522
  134   2HG   LYS  19          2HG       LYS   1   7.752   5.006   2.189
  135   1HD   LYS  19          1HD       LYS   1   8.453   4.089  -0.050
  136   2HD   LYS  19          2HD       LYS   1   8.363   5.709  -0.752
  137   1HE   LYS  19          1HE       LYS   1  10.711   5.224  -0.234
  138   2HE   LYS  19          2HE       LYS   1  10.153   6.503   0.858
  139   1HZ   LYS  19          1HZ       LYS   1   9.756   4.785   2.543
  140   2HZ   LYS  19          2HZ       LYS   1  10.271   3.610   1.530
  141    H    ASP  20           H        ASP   2   3.492   7.422   1.095
  142    HA   ASP  20           HA       ASP   2   4.948   9.751   2.418
  143   1HB   ASP  20          1HB       ASP   2   4.558   9.701  -0.137
  144   2HB   ASP  20          2HB       ASP   2   2.827   9.844   0.197
  145    HD2  ASP  20           HD2      ASP   2   2.157  11.663   0.100
  146    H    ALA  21           H        ALA   2   2.765   7.725   3.172
  147    HA   ALA  21           HA       ALA   2   1.467   9.731   5.065
  148   1HB   ALA  21          3HB       ALA   2  -0.085   8.943   3.210
  149   2HB   ALA  21          2HB       ALA   2   0.182   7.258   3.728
  150   3HB   ALA  21          1HB       ALA   2  -0.650   8.396   4.814
  151    H    GLY  22           H        GLY   2   3.717   8.179   5.769
  152   1HA   GLY  22          1HA       GLY   2   4.234   7.215   7.939
  153   2HA   GLY  22          2HA       GLY   2   2.512   7.072   8.257
  154    H    MET  23           H        MET   2   4.320   5.604   5.548
  155    HA   MET  23           HA       MET   2   4.308   2.981   7.044
  156   1HB   MET  23          1HB       MET   2   2.028   3.643   5.618
  157   2HB   MET  23          2HB       MET   2   2.949   2.849   4.350
  158   1HG   MET  23          1HG       MET   2   1.444   1.278   5.542
  159   2HG   MET  23          2HG       MET   2   3.138   0.786   5.781
  160   1HE   MET  23          1HE       MET   2   3.163  -0.483   7.658
  161   2HE   MET  23          2HE       MET   2   4.377   0.773   8.042
  162   3HE   MET  23          3HE       MET   2   3.271   0.169   9.323
  163    H    ARG  24           H        ARG   2   5.036   1.143   5.198
  164    HA   ARG  24           HA       ARG   2   7.683   2.362   4.291
  165   1HB   ARG  24          1HB       ARG   2   7.401   0.567   6.112
  166   2HB   ARG  24          2HB       ARG   2   7.133  -0.573   4.814
  167   1HG   ARG  24          1HG       ARG   2   9.367   0.183   3.793
  168   2HG   ARG  24          2HG       ARG   2   9.568   1.316   5.138
  169   1HD   ARG  24          1HD       ARG   2   9.475  -0.598   6.773
  170   2HD   ARG  24          2HD       ARG   2   9.270  -1.739   5.421
  171   1HH1  ARG  24          1HH2      ARG   2  10.301  -2.499   7.080
  172   2HH1  ARG  24          2HH2      ARG   2  11.942  -3.232   7.450
  173   1HH2  ARG  24          1HH1      ARG   2  13.595  -1.036   5.346
  174   2HH2  ARG  24          2HH1      ARG   2  13.716  -2.444   6.517
  175    H    PHE  25           H        PHE   2   7.342  -0.402   2.962
  176    HA   PHE  25           HA       PHE   2   6.784   0.880   0.266
  177   1HB   PHE  25          1HB       PHE   2   7.265  -2.102   0.568
  178   2HB   PHE  25          2HB       PHE   2   7.584  -1.077  -0.825
  179    HD1  PHE  25           HD1      PHE   2   9.290   0.845  -0.435
  180    HD2  PHE  25           HD2      PHE   2   9.015  -2.530   2.036
  181    HE1  PHE  25           HE1      PHE   2  11.554   1.222   0.333
  182    HE2  PHE  25           HE2      PHE   2  11.278  -2.153   2.804
  183    HZ   PHE  25           HZ       PHE   2  12.548  -0.277   1.953
  184    H    GLY  26           H        GLY   2   5.516  -0.412  -1.258
  185   1HA   GLY  26          2HA       GLY   2   2.765  -0.962   0.038
  186   2HA   GLY  26          1HA       GLY   2   3.001  -0.319  -1.568
  187    H    LYS  27           H        LYS   2   1.898  -2.888  -0.207
  188    HA   LYS  27           HA       LYS   2   2.725  -4.594  -2.645
  189   1HB   LYS  27          1HB       LYS   2   2.448  -5.561   0.271
  190   2HB   LYS  27          2HB       LYS   2   2.439  -6.621  -1.134
  191   1HG   LYS  27          1HG       LYS   2   4.700  -5.775  -1.812
  192   2HG   LYS  27          2HG       LYS   2   4.725  -4.701  -0.404
  193   1HD   LYS  27          1HD       LYS   2   4.428  -6.712   1.116
  194   2HD   LYS  27          2HD       LYS   2   4.500  -7.777  -0.293
  195   1HE   LYS  27          1HE       LYS   2   6.737  -5.824   0.560
  196   2HE   LYS  27          2HE       LYS   2   6.720  -7.562   0.910
  197   1HZ   LYS  27          1HZ       LYS   2   7.995  -7.042  -1.070
  198   2HZ   LYS  27          2HZ       LYS   2   6.708  -6.343  -1.797
  199    H    CYS  28           H        CYS   2   1.104  -4.163  -3.796
  200    HA   CYS  28           HA       CYS   2  -1.573  -3.863  -2.809
  201   1HB   CYS  28          1HB       CYS   2  -0.700  -3.054  -4.980
  202   2HB   CYS  28          2HB       CYS   2  -0.811  -4.699  -5.650
  203    H    MET  29           H        MET   2  -3.301  -5.066  -2.656
  204    HA   MET  29           HA       MET   2  -3.260  -7.907  -3.610
  205   1HB   MET  29          1HB       MET   2  -1.905  -7.924  -1.472
  206   2HB   MET  29          2HB       MET   2  -3.307  -7.310  -0.587
  207   1HG   MET  29          1HG       MET   2  -4.624  -9.371  -1.212
  208   2HG   MET  29          2HG       MET   2  -3.261  -9.951  -2.195
  209   1HE   MET  29          1HE       MET   2  -4.653 -11.629   0.112
  210   2HE   MET  29          3HE       MET   2  -3.281 -12.220  -0.875
  211   3HE   MET  29          2HE       MET   2  -3.220 -12.348   0.910
  212    H    ASN  30           H        ASN   3  -5.125  -8.353  -4.256
  213    HA   ASN  30           HA       ASN   3  -7.462  -8.308  -4.638
  214   1HB   ASN  30          1HB       ASN   3  -7.161  -9.358  -2.307
  215   2HB   ASN  30          2HB       ASN   3  -7.649  -7.803  -1.618
  216   1HD2  ASN  30          1HD2      ASN   3 -10.747  -9.800  -1.886
  217   2HD2  ASN  30          2HD2      ASN   3  -9.175  -9.755  -0.941
  218    H    ARG  31           H        ARG   3  -6.286  -5.931  -5.198
  219    HA   ARG  31           HA       ARG   3  -6.784  -3.665  -5.627
  220   1HB   ARG  31          1HB       ARG   3  -9.652  -4.512  -4.954
  221   2HB   ARG  31          2HB       ARG   3  -9.184  -2.979  -5.701
  222   1HG   ARG  31          1HG       ARG   3  -8.095  -4.257  -7.606
  223   2HG   ARG  31          2HG       ARG   3  -8.662  -5.777  -6.894
  224   1HD   ARG  31          1HD       ARG   3 -11.039  -4.960  -7.024
  225   2HD   ARG  31          2HD       ARG   3 -10.471  -3.434  -7.745
  226   1HH1  ARG  31          2HH2      ARG   3 -12.363  -4.070  -8.383
  227   2HH1  ARG  31          1HH2      ARG   3 -13.200  -4.502  -9.958
  228   1HH2  ARG  31          2HH1      ARG   3 -10.408  -6.128 -11.200
  229   2HH2  ARG  31          1HH1      ARG   3 -12.147  -5.610 -11.475
  230    H    LYS  32           H        LYS   3  -5.957  -4.383  -2.922
  231    HA   LYS  32           HA       LYS   3  -6.726  -1.684  -1.725
  232   1HB   LYS  32          1HB       LYS   3  -7.004  -4.464  -0.417
  233   2HB   LYS  32          2HB       LYS   3  -6.745  -3.010   0.549
  234   1HG   LYS  32          1HG       LYS   3  -8.821  -1.966  -0.408
  235   2HG   LYS  32          2HG       LYS   3  -9.110  -3.427  -1.366
  236   1HD   LYS  32          1HD       LYS   3  -9.235  -4.798   0.745
  237   2HD   LYS  32          2HD       LYS   3  -8.852  -3.366   1.708
  238   1HE   LYS  32          1HE       LYS   3 -11.279  -3.715   1.779
  239   2HE   LYS  32          2HE       LYS   3 -10.956  -2.235   0.859
  240   1HZ   LYS  32          1HZ       LYS   3 -11.497  -4.923  -0.290
  241   2HZ   LYS  32          2HZ       LYS   3 -12.555  -3.678  -0.238
  242    H    CYS  33           H        CYS   3  -4.685  -0.748  -1.352
  243    HA   CYS  33           HA       CYS   3  -2.394  -2.340  -1.364
  244   1HB   CYS  33          1HB       CYS   3  -2.336   0.149  -1.515
  245   2HB   CYS  33          2HB       CYS   3  -2.612   0.250   0.252
  246    H    HIS  34           H        HIS   3  -1.539  -3.600  -0.220
  247    HA   HIS  34           HA       HIS   3  -2.104  -3.712   2.813
  248   1HB   HIS  34          1HB       HIS   3  -1.312  -5.952   0.853
  249   2HB   HIS  34          2HB       HIS   3  -1.006  -6.069   2.581
  250    HD2  HIS  34           HD2      HIS   3  -4.359  -4.472   1.304
  251    HE1  HIS  34           HE1      HIS   3  -5.293  -8.164   2.946
  252    HE2  HIS  34           HE2      HIS   3  -6.375  -6.047   1.987
  253    H    CYS  35           H        CYS   3  -0.529  -2.265   3.425
  254    HA   CYS  35           HA       CYS   3   2.029  -2.157   1.812
  255   1HB   CYS  35          2HB       CYS   3   1.654  -0.632   4.366
  256   2HB   CYS  35          1HB       CYS   3   2.643  -0.313   2.904
  257    H    THR  36           H        THR   3   3.976  -1.826   3.580
  258    HA   THR  36           HA       THR   3   4.195  -4.663   4.613
  259    HB   THR  36           HB       THR   3   6.300  -2.531   4.061
  260    HG1  THR  36           HG1      THR   3   5.507  -4.919   2.760
  261   1HG2  THR  36          1HG2      THR   3   6.594  -5.508   4.831
  262   2HG2  THR  36          3HG2      THR   3   7.919  -4.459   4.263
  263   3HG2  THR  36          2HG2      THR   3   7.126  -4.121   5.821
  264    HA   PRO  37           HA       PRO   3   3.981  -2.321   8.657
  265   1HB   PRO  37          1HB       PRO   3   4.826  -4.164  10.518
  266   2HB   PRO  37          2HB       PRO   3   3.265  -4.321   9.667
  267   1HG   PRO  37          1HG       PRO   3   5.919  -5.658   8.930
  268   2HG   PRO  37          2HG       PRO   3   4.332  -6.449   9.155
  269   1HD   PRO  37          1HD       PRO   3   5.214  -5.750   6.643
  270   2HD   PRO  37          2HD       PRO   3   3.487  -5.524   7.073
  271    H    LYS  38           H        LYS   3   5.360  -0.812   9.228
  272    HA   LYS  38           HA       LYS   3   8.234  -1.101   8.604
  273   1HB   LYS  38          1HB       LYS   3   6.960   1.091   8.581
  274   2HB   LYS  38          2HB       LYS   3   6.820   1.018  10.342
  275   1HG   LYS  38          1HG       LYS   3   9.329   1.059  10.557
  276   2HG   LYS  38          2HG       LYS   3   9.486   1.018   8.793
  277   1HD   LYS  38          1HD       LYS   3   8.254   3.208   8.626
  278   2HD   LYS  38          2HD       LYS   3   7.998   3.208  10.376
  279   1HE   LYS  38          1HE       LYS   3   9.905   4.669   9.876
  280   2HE   LYS  38          2HE       LYS   3  10.507   3.242  10.739
  281   1HZ   LYS  38          1HZ       LYS   3  10.529   3.592   7.787
  282   2HZ   LYS  38          2HZ       LYS   3  11.087   2.275   8.577
  283    HXT  LYS  38           HO       OH    3   7.433  -1.778  12.527
   
  No H/Q in entry =         283
  Start of MODEL   12
    1   1H    GLY   1          1H        GLY   1   0.111  -5.215   6.431
    2   2H    GLY   1          2H        GLY   1   0.654  -5.413   7.961
    3   1HA   GLY   1          1HA       GLY   1  -1.707  -6.796   6.796
    4   2HA   GLY   1          2HA       GLY   1  -1.117  -7.011   8.458
    5    H    VAL   2           H        VAL   2  -0.864  -3.999   6.769
    6    HA   VAL   2           HA       VAL   2  -3.169  -2.800   8.421
    7    HB   VAL   2           HB       VAL   2  -0.427  -1.526   7.842
    8   1HG1  VAL   2          2HG2      VAL   2  -2.896  -0.524   9.402
    9   2HG1  VAL   2          1HG2      VAL   2  -1.297   0.261   9.427
   10   3HG1  VAL   2          3HG2      VAL   2  -2.225   0.200   7.913
   11   1HG2  VAL   2          2HG1      VAL   2  -1.660  -2.571  10.473
   12   2HG2  VAL   2          1HG1      VAL   2  -0.204  -3.218   9.666
   13   3HG2  VAL   2          3HG1      VAL   2  -0.180  -1.584  10.366
   14    H    GLU   3           H        GLU   3  -4.363  -3.236   6.541
   15    HA   GLU   3           HA       GLU   3  -3.510  -1.920   4.015
   16   1HB   GLU   3          1HB       GLU   3  -5.654  -2.630   3.080
   17   2HB   GLU   3          2HB       GLU   3  -4.838  -3.959   3.902
   18   1HG   GLU   3          1HG       GLU   3  -6.342  -3.635   5.922
   19   2HG   GLU   3          2HG       GLU   3  -7.163  -2.307   5.081
   20    HE2  GLU   3           HE2      GLU   3  -8.588  -4.125   5.844
   21    H    ILE   4           H        ILE   4  -3.888  -0.006   3.337
   22    HA   ILE   4           HA       ILE   4  -5.341   1.905   5.174
   23    HB   ILE   4           HB       ILE   4  -4.504   3.672   3.635
   24   1HG1  ILE   4          1HG1      ILE   4  -2.880   1.436   2.269
   25   2HG1  ILE   4          2HG1      ILE   4  -4.328   2.149   1.551
   26   1HG2  ILE   4          2HG2      ILE   4  -3.311   2.816   5.702
   27   2HG2  ILE   4          3HG2      ILE   4  -2.355   1.719   4.673
   28   3HG2  ILE   4          1HG2      ILE   4  -2.188   3.486   4.498
   29   1HD1  ILE   4          2HD1      ILE   4  -3.250   4.446   1.678
   30   2HD1  ILE   4          3HD1      ILE   4  -1.754   3.685   2.284
   31   3HD1  ILE   4          1HD1      ILE   4  -2.352   3.297   0.654
   32    H    ASN   5           H        ASN   5  -6.677   3.589   3.967
   33    HA   ASN   5           HA       ASN   5  -8.820   2.022   2.520
   34   1HB   ASN   5          1HB       ASN   5 -10.218   4.038   2.884
   35   2HB   ASN   5          2HB       ASN   5  -9.553   3.371   4.374
   36   1HD2  ASN   5          1HD2      ASN   5  -8.869   7.225   3.471
   37   2HD2  ASN   5          2HD2      ASN   5 -10.005   6.113   2.555
   38    H    VAL   6           H        VAL   6  -7.044   1.940   0.760
   39    HA   VAL   6           HA       VAL   6  -7.896   3.983  -1.340
   40    HB   VAL   6           HB       VAL   6  -4.998   3.047  -1.139
   41   1HG1  VAL   6          1HG1      VAL   6  -5.766   3.748  -3.404
   42   2HG1  VAL   6          3HG1      VAL   6  -6.322   5.311  -2.747
   43   3HG1  VAL   6          2HG1      VAL   6  -4.584   4.915  -2.763
   44   1HG2  VAL   6          1HG2      VAL   6  -5.342   4.609   0.814
   45   2HG2  VAL   6          3HG2      VAL   6  -4.298   5.346  -0.431
   46   3HG2  VAL   6          2HG2      VAL   6  -6.007   5.840  -0.292
   47    H    LYS   7           H        LYS   7  -8.275   3.001  -3.144
   48    HA   LYS   7           HA       LYS   7  -8.038  -0.033  -3.158
   49   1HB   LYS   7          1HB       LYS   7  -9.512   1.876  -5.060
   50   2HB   LYS   7          2HB       LYS   7  -9.473   0.116  -5.229
   51   1HG   LYS   7          1HG       LYS   7 -10.435  -0.101  -2.888
   52   2HG   LYS   7          2HG       LYS   7 -10.624   1.648  -2.807
   53   1HD   LYS   7          1HD       LYS   7 -11.891  -0.205  -4.927
   54   2HD   LYS   7          2HD       LYS   7 -12.724   0.409  -3.500
   55   1HE   LYS   7          1HE       LYS   7 -11.635   2.158  -5.805
   56   2HE   LYS   7          2HE       LYS   7 -13.320   1.712  -5.532
   57   1HZ   LYS   7          1HZ       LYS   7 -11.653   3.243  -3.614
   58   2HZ   LYS   7          2HZ       LYS   7 -13.216   2.827  -3.378
   59    H    CYS   8           H        CYS   8  -6.946  -1.115  -4.774
   60    HA   CYS   8           HA       CYS   8  -5.541   0.554  -6.916
   61   1HB   CYS   8          1HB       CYS   8  -3.296  -0.325  -6.246
   62   2HB   CYS   8          2HB       CYS   8  -4.078   0.463  -4.898
   63    H    SER   9           H        SER   9  -4.239  -0.641  -8.250
   64    HA   SER   9           HA       SER   9  -5.164  -3.526  -8.783
   65   1HB   SER   9          1HB       SER   9  -6.312  -1.566 -10.061
   66   2HB   SER   9          2HB       SER   9  -4.780  -1.325 -10.909
   67    HG   SER   9           HG       SER   9  -4.870  -3.538 -11.528
   68    H    GLY  10           H        GLY   1  -2.752  -1.554  -8.096
   69   1HA   GLY  10          1HA       GLY   1  -0.702  -3.432  -9.235
   70   2HA   GLY  10          2HA       GLY   1  -0.648  -1.808  -9.968
   71    H    SER  11           H        SER   1   1.135  -3.411  -8.129
   72    HA   SER  11           HA       SER   1   1.198  -1.942  -5.636
   73   1HB   SER  11          1HB       SER   1   3.337  -2.919  -5.169
   74   2HB   SER  11          2HB       SER   1   2.229  -4.107  -5.860
   75    HG   SER  11           HG       SER   1   4.305  -4.198  -6.792
   76    HA   PRO  12           HA       PRO   1   4.355   1.252  -7.044
   77   1HB   PRO  12          1HB       PRO   1   3.295   1.901  -9.839
   78   2HB   PRO  12          2HB       PRO   1   4.925   2.231  -9.180
   79   1HG   PRO  12          1HG       PRO   1   4.615   0.032 -10.710
   80   2HG   PRO  12          2HG       PRO   1   5.462  -0.156  -9.146
   81   1HD   PRO  12          1HD       PRO   1   2.547  -0.823  -9.790
   82   2HD   PRO  12          2HD       PRO   1   3.732  -1.781  -8.865
   83    H    GLN  13           H        GLN   1   0.956   1.267  -7.888
   84    HA   GLN  13           HA       GLN   1   0.668   4.209  -7.336
   85   1HB   GLN  13          1HB       GLN   1  -1.385   1.959  -7.808
   86   2HB   GLN  13          2HB       GLN   1  -1.850   3.565  -7.252
   87   1HG   GLN  13          1HG       GLN   1  -2.130   3.749  -9.567
   88   2HG   GLN  13          2HG       GLN   1  -0.579   4.545  -9.294
   89   1HE2  GLN  13          1HE2      GLN   1   1.152   2.334 -11.429
   90   2HE2  GLN  13          2HE2      GLN   1   1.114   3.854 -10.402
   91    H    CYS  14           H        CYS   1   0.729   1.221  -5.658
   92    HA   CYS  14           HA       CYS   1  -0.695   2.192  -3.166
   93   1HB   CYS  14          2HB       CYS   1   0.806  -0.334  -4.086
   94   2HB   CYS  14          1HB       CYS   1   0.520  -0.053  -2.361
   95    H    LEU  15           H        LEU   1   2.510   1.868  -4.524
   96    HA   LEU  15           HA       LEU   1   3.924   2.118  -2.073
   97   1HB   LEU  15          1HB       LEU   1   4.940   1.401  -4.237
   98   2HB   LEU  15          2HB       LEU   1   4.657   2.992  -4.935
   99    HG   LEU  15           HG       LEU   1   6.288   4.017  -3.336
  100   1HD1  LEU  15          1HD2      LEU   1   6.739   1.092  -2.441
  101   2HD1  LEU  15          3HD2      LEU   1   7.802   2.461  -2.027
  102   3HD1  LEU  15          2HD2      LEU   1   6.135   2.415  -1.406
  103   1HD2  LEU  15          1HD1      LEU   1   7.000   3.194  -5.585
  104   2HD2  LEU  15          2HD1      LEU   1   8.306   2.986  -4.387
  105   3HD2  LEU  15          3HD1      LEU   1   7.334   1.581  -4.900
  106    H    LYS  16           H        LYS   1   2.807   4.513  -4.416
  107    HA   LYS  16           HA       LYS   1   3.921   6.877  -3.275
  108   1HB   LYS  16          1HB       LYS   1   2.828   6.800  -5.477
  109   2HB   LYS  16          2HB       LYS   1   1.238   6.696  -4.708
  110   1HG   LYS  16          1HG       LYS   1   1.635   8.905  -3.562
  111   2HG   LYS  16          2HG       LYS   1   3.257   8.989  -4.269
  112   1HD   LYS  16          1HD       LYS   1   2.249   8.936  -6.583
  113   2HD   LYS  16          2HD       LYS   1   0.628   8.848  -5.875
  114   1HE   LYS  16          1HE       LYS   1   1.017  11.055  -4.704
  115   2HE   LYS  16          2HE       LYS   1   2.642  11.143  -5.413
  116   1HZ   LYS  16          1HZ       LYS   1   1.646  11.110  -7.608
  117   2HZ   LYS  16          2HZ       LYS   1   1.066  12.365  -6.735
  118    HA   PRO  17           HA       PRO   1   0.833   7.691   0.068
  119   1HB   PRO  17          1HB       PRO   1  -1.317   6.160   0.773
  120   2HB   PRO  17          2HB       PRO   1  -1.381   7.273  -0.624
  121   1HG   PRO  17          1HG       PRO   1  -0.743   4.272  -0.683
  122   2HG   PRO  17          2HG       PRO   1  -2.002   5.127  -1.624
  123   1HD   PRO  17          1HD       PRO   1   0.457   4.667  -2.743
  124   2HD   PRO  17          2HD       PRO   1  -0.332   6.245  -2.995
  125    H    CYS  18           H        CYS   1   1.674   4.278  -0.342
  126    HA   CYS  18           HA       CYS   1   1.709   3.777   2.536
  127   1HB   CYS  18          1HB       CYS   1   3.207   2.464   0.191
  128   2HB   CYS  18          2HB       CYS   1   3.448   1.925   1.859
  129    H    LYS  19           H        LYS   1   4.069   5.165   0.348
  130    HA   LYS  19           HA       LYS   1   6.169   5.178   2.560
  131   1HB   LYS  19          1HB       LYS   1   6.771   4.698   0.136
  132   2HB   LYS  19          2HB       LYS   1   6.240   6.326  -0.303
  133   1HG   LYS  19          1HG       LYS   1   7.969   7.319   1.240
  134   2HG   LYS  19          2HG       LYS   1   8.443   5.695   1.765
  135   1HD   LYS  19          1HD       LYS   1   9.076   5.117  -0.608
  136   2HD   LYS  19          2HD       LYS   1   8.596   6.738  -1.133
  137   1HE   LYS  19          1HE       LYS   1  10.303   7.753   0.432
  138   2HE   LYS  19          2HE       LYS   1  10.785   6.128   0.958
  139   1HZ   LYS  19          1HZ       LYS   1  11.346   5.622  -1.358
  140   2HZ   LYS  19          2HZ       LYS   1  10.902   7.119  -1.842
  141    H    ASP  20           H        ASP   2   3.658   7.032   1.140
  142    HA   ASP  20           HA       ASP   2   4.653   9.562   2.497
  143   1HB   ASP  20          1HB       ASP   2   2.415   9.249   0.440
  144   2HB   ASP  20          2HB       ASP   2   2.879  10.758   1.225
  145    HD2  ASP  20           HD2      ASP   2   5.273  11.475  -1.012
  146    H    ALA  21           H        ALA   2   3.002   7.122   3.417
  147    HA   ALA  21           HA       ALA   2   1.790   8.866   5.599
  148   1HB   ALA  21          1HB       ALA   2  -0.010   8.063   4.002
  149   2HB   ALA  21          2HB       ALA   2   0.441   6.378   4.382
  150   3HB   ALA  21          3HB       ALA   2  -0.226   7.430   5.656
  151    H    GLY  22           H        GLY   2   4.153   7.943   5.782
  152   1HA   GLY  22          1HA       GLY   2   5.585   6.794   7.285
  153   2HA   GLY  22          2HA       GLY   2   4.207   6.789   8.375
  154    H    MET  23           H        MET   2   4.976   4.961   5.359
  155    HA   MET  23           HA       MET   2   5.131   2.453   7.072
  156   1HB   MET  23          1HB       MET   2   2.996   2.718   4.855
  157   2HB   MET  23          2HB       MET   2   3.636   1.184   5.418
  158   1HG   MET  23          1HG       MET   2   3.008   2.067   7.848
  159   2HG   MET  23          2HG       MET   2   1.928   3.162   6.969
  160   1HE   MET  23          3HE       MET   2   2.624  -0.224   8.440
  161   2HE   MET  23          1HE       MET   2   1.794  -1.422   7.396
  162   3HE   MET  23          2HE       MET   2   3.249  -0.569   6.801
  163    H    ARG  24           H        ARG   2   5.656   0.537   5.330
  164    HA   ARG  24           HA       ARG   2   8.137   1.694   4.080
  165   1HB   ARG  24          1HB       ARG   2   7.959  -0.258   5.777
  166   2HB   ARG  24          2HB       ARG   2   7.425  -1.249   4.445
  167   1HG   ARG  24          1HG       ARG   2   9.763  -1.619   4.548
  168   2HG   ARG  24          2HG       ARG   2   9.647  -0.448   3.232
  169   1HD   ARG  24          1HD       ARG   2  10.243   1.408   4.840
  170   2HD   ARG  24          2HD       ARG   2  10.249   0.238   6.182
  171   1HH1  ARG  24          1HH1      ARG   2  11.576   1.846   6.400
  172   2HH1  ARG  24          2HH1      ARG   2  13.378   2.109   6.618
  173   1HH2  ARG  24          1HH2      ARG   2  14.195  -0.418   4.398
  174   2HH2  ARG  24          2HH2      ARG   2  14.789   0.890   5.540
  175    H    PHE  25           H        PHE   2   7.445  -0.939   2.613
  176    HA   PHE  25           HA       PHE   2   6.803   0.596   0.082
  177   1HB   PHE  25          1HB       PHE   2   6.816  -2.423   0.036
  178   2HB   PHE  25          2HB       PHE   2   7.332  -1.297  -1.212
  179    HD1  PHE  25           HD2      PHE   2   9.376   0.192  -0.588
  180    HD2  PHE  25           HD1      PHE   2   8.436  -3.378   1.395
  181    HE1  PHE  25           HE2      PHE   2  11.665   0.017   0.181
  182    HE2  PHE  25           HE1      PHE   2  10.724  -3.553   2.164
  183    HZ   PHE  25           HZ       PHE   2  12.338  -1.856   1.557
  184    H    GLY  26           H        GLY   2   5.215  -0.251  -1.370
  185   1HA   GLY  26          2HA       GLY   2   2.589  -0.710   0.166
  186   2HA   GLY  26          1HA       GLY   2   2.693   0.199  -1.320
  187    H    LYS  27           H        LYS   2   2.101  -2.808   0.042
  188    HA   LYS  27           HA       LYS   2   2.717  -4.276  -2.610
  189   1HB   LYS  27          1HB       LYS   2   1.741  -5.563  -0.023
  190   2HB   LYS  27          2HB       LYS   2   2.262  -6.349  -1.504
  191   1HG   LYS  27          1HG       LYS   2   4.547  -5.231  -1.245
  192   2HG   LYS  27          2HG       LYS   2   4.050  -4.653   0.350
  193   1HD   LYS  27          1HD       LYS   2   4.070  -7.616  -0.505
  194   2HD   LYS  27          2HD       LYS   2   5.375  -6.816   0.375
  195   1HE   LYS  27          1HE       LYS   2   3.751  -6.245   2.246
  196   2HE   LYS  27          2HE       LYS   2   2.486  -7.162   1.405
  197   1HZ   LYS  27          1HZ       LYS   2   5.111  -8.262   2.246
  198   2HZ   LYS  27          2HZ       LYS   2   3.948  -9.105   1.466
  199    H    CYS  28           H        CYS   2   1.112  -3.898  -4.024
  200    HA   CYS  28           HA       CYS   2  -1.617  -3.437  -3.020
  201   1HB   CYS  28          1HB       CYS   2  -0.954  -2.414  -5.151
  202   2HB   CYS  28          2HB       CYS   2  -0.780  -4.020  -5.901
  203    H    MET  29           H        MET   2  -3.195  -4.784  -2.781
  204    HA   MET  29           HA       MET   2  -3.113  -7.550  -3.817
  205   1HB   MET  29          1HB       MET   2  -1.385  -7.613  -1.924
  206   2HB   MET  29          2HB       MET   2  -2.673  -7.223  -0.782
  207   1HG   MET  29          1HG       MET   2  -3.903  -9.332  -1.456
  208   2HG   MET  29          2HG       MET   2  -2.614  -9.712  -2.617
  209   1HE   MET  29          3HE       MET   2  -0.389 -10.632  -2.135
  210   2HE   MET  29          2HE       MET   2   0.176  -9.139  -1.323
  211   3HE   MET  29          1HE       MET   2   0.415 -10.727  -0.539
  212    H    ASN  30           H        ASN   3  -5.026  -8.395  -3.847
  213    HA   ASN  30           HA       ASN   3  -7.381  -8.556  -3.695
  214   1HB   ASN  30          1HB       ASN   3  -6.573  -9.204  -1.352
  215   2HB   ASN  30          2HB       ASN   3  -6.991  -7.571  -0.817
  216   1HD2  ASN  30          2HD2      ASN   3 -10.331  -8.537  -0.292
  217   2HD2  ASN  30          1HD2      ASN   3  -8.851  -7.554   0.166
  218    H    ARG  31           H        ARG   3  -6.510  -6.309  -4.862
  219    HA   ARG  31           HA       ARG   3  -7.221  -4.229  -5.608
  220   1HB   ARG  31          1HB       ARG   3  -9.825  -4.872  -4.152
  221   2HB   ARG  31          2HB       ARG   3  -9.617  -3.594  -5.344
  222   1HG   ARG  31          1HG       ARG   3  -9.235  -6.608  -5.941
  223   2HG   ARG  31          2HG       ARG   3 -10.695  -5.673  -6.228
  224   1HD   ARG  31          1HD       ARG   3  -9.828  -5.472  -8.316
  225   2HD   ARG  31          2HD       ARG   3  -9.039  -4.050  -7.604
  226   1HH1  ARG  31          2HH2      ARG   3  -8.691  -4.303  -9.646
  227   2HH1  ARG  31          1HH2      ARG   3  -7.273  -4.546 -10.785
  228   1HH2  ARG  31          1HH1      ARG   3  -5.634  -6.651  -8.580
  229   2HH2  ARG  31          2HH1      ARG   3  -5.628  -5.810 -10.211
  230    H    LYS  32           H        LYS   3  -5.962  -4.351  -2.865
  231    HA   LYS  32           HA       LYS   3  -6.444  -1.403  -2.329
  232   1HB   LYS  32          1HB       LYS   3  -7.034  -3.665  -0.332
  233   2HB   LYS  32          2HB       LYS   3  -6.499  -2.077   0.223
  234   1HG   LYS  32          1HG       LYS   3  -8.461  -0.998  -0.953
  235   2HG   LYS  32          2HG       LYS   3  -9.056  -2.612  -1.385
  236   1HD   LYS  32          1HD       LYS   3  -9.118  -3.247   1.053
  237   2HD   LYS  32          2HD       LYS   3  -8.527  -1.635   1.489
  238   1HE   LYS  32          1HE       LYS   3 -10.550  -0.593   0.388
  239   2HE   LYS  32          2HE       LYS   3 -11.143  -2.208  -0.049
  240   1HZ   LYS  32          1HZ       LYS   3 -11.212  -2.776   2.292
  241   2HZ   LYS  32          2HZ       LYS   3 -12.134  -1.459   1.995
  242    H    CYS  33           H        CYS   3  -4.609  -0.466  -1.302
  243    HA   CYS  33           HA       CYS   3  -2.218  -2.007  -1.374
  244   1HB   CYS  33          1HB       CYS   3  -2.802   0.567   0.141
  245   2HB   CYS  33          2HB       CYS   3  -1.210   0.059  -0.457
  246    H    HIS  34           H        HIS   3  -1.399  -3.251  -0.101
  247    HA   HIS  34           HA       HIS   3  -2.077  -3.283   2.904
  248   1HB   HIS  34          1HB       HIS   3  -1.194  -5.608   1.078
  249   2HB   HIS  34          2HB       HIS   3  -1.039  -5.649   2.837
  250    HD2  HIS  34           HD2      HIS   3  -3.845  -5.125   0.172
  251    HE1  HIS  34           HE1      HIS   3  -5.603  -6.960   3.451
  252    HE2  HIS  34           HE2      HIS   3  -6.123  -6.168   1.066
  253    H    CYS  35           H        CYS   3  -0.465  -1.814   3.437
  254    HA   CYS  35           HA       CYS   3   2.131  -1.964   1.956
  255   1HB   CYS  35          2HB       CYS   3   1.996  -0.525   4.577
  256   2HB   CYS  35          1HB       CYS   3   2.949  -0.229   3.108
  257    H    THR  36           H        THR   3   4.147  -2.012   3.412
  258    HA   THR  36           HA       THR   3   4.030  -4.785   4.658
  259    HB   THR  36           HB       THR   3   6.381  -3.108   3.698
  260    HG1  THR  36           HG1      THR   3   4.991  -5.340   2.646
  261   1HG2  THR  36          2HG2      THR   3   6.175  -6.048   4.627
  262   2HG2  THR  36          1HG2      THR   3   7.600  -5.321   3.841
  263   3HG2  THR  36          3HG2      THR   3   7.095  -4.759   5.451
  264    HA   PRO  37           HA       PRO   3   4.656  -1.831   8.304
  265   1HB   PRO  37          1HB       PRO   3   4.638  -4.414   9.913
  266   2HB   PRO  37          2HB       PRO   3   3.792  -2.888  10.285
  267   1HG   PRO  37          1HG       PRO   3   2.354  -4.953   9.278
  268   2HG   PRO  37          2HG       PRO   3   2.105  -3.326   8.585
  269   1HD   PRO  37          1HD       PRO   3   3.827  -5.592   7.437
  270   2HD   PRO  37          2HD       PRO   3   2.643  -4.543   6.595
  271    H    LYS  38           H        LYS   3   6.521  -1.148   9.139
  272    HA   LYS  38           HA       LYS   3   8.965  -2.701   8.528
  273   1HB   LYS  38          1HB       LYS   3   8.838  -0.172   8.557
  274   2HB   LYS  38          2HB       LYS   3   8.626  -0.212  10.313
  275   1HG   LYS  38          1HG       LYS   3  10.877  -1.322  10.571
  276   2HG   LYS  38          2HG       LYS   3  11.022  -1.441   8.820
  277   1HD   LYS  38          1HD       LYS   3  12.345   0.462   9.528
  278   2HD   LYS  38          2HD       LYS   3  10.967   1.057   8.604
  279   1HE   LYS  38          1HE       LYS   3  11.350   2.482  10.581
  280   2HE   LYS  38          2HE       LYS   3   9.786   1.685  10.756
  281   1HZ   LYS  38          1HZ       LYS   3  12.331   0.759  11.981
  282   2HZ   LYS  38          2HZ       LYS   3  10.890   0.006  12.149
  283    HXT  LYS  38           HO       OH    3   7.230  -1.772  11.314
   
  No H/Q in entry =         283
  Start of MODEL   13
    1   1H    GLY   1          1H        GLY   1   0.115   3.039   6.329
    2   2H    GLY   1          2H        GLY   1  -0.091   1.447   6.020
    3   1HA   GLY   1          1HA       GLY   1   0.619   1.775   8.301
    4   2HA   GLY   1          2HA       GLY   1  -0.793   2.819   8.561
    5    H    VAL   2           H        VAL   2   0.093  -0.388   7.345
    6    HA   VAL   2           HA       VAL   2  -0.842  -2.505   7.716
    7    HB   VAL   2           HB       VAL   2  -2.287  -1.304  10.133
    8   1HG1  VAL   2          2HG1      VAL   2  -1.524  -4.184   9.319
    9   2HG1  VAL   2          1HG1      VAL   2  -2.184  -3.721  10.907
   10   3HG1  VAL   2          3HG1      VAL   2  -3.183  -3.538   9.447
   11   1HG2  VAL   2          2HG2      VAL   2   0.503  -2.593   9.853
   12   2HG2  VAL   2          1HG2      VAL   2   0.154  -0.935  10.419
   13   3HG2  VAL   2          3HG2      VAL   2  -0.328  -2.330  11.407
   14    H    GLU   3           H        GLU   3  -1.744  -2.029   5.775
   15    HA   GLU   3           HA       GLU   3  -3.508  -2.020   4.251
   16   1HB   GLU   3          1HB       GLU   3  -4.088  -4.064   5.425
   17   2HB   GLU   3          2HB       GLU   3  -4.998  -3.185   6.654
   18   1HG   GLU   3          1HG       GLU   3  -6.686  -2.464   4.900
   19   2HG   GLU   3          2HG       GLU   3  -5.722  -3.284   3.658
   20    HE1  GLU   3           HE2      GLU   3  -6.574  -6.102   6.275
   21    H    ILE   4           H        ILE   4  -3.857  -0.182   3.567
   22    HA   ILE   4           HA       ILE   4  -5.575   1.774   5.148
   23    HB   ILE   4           HB       ILE   4  -4.920   3.438   3.454
   24   1HG1  ILE   4          1HG1      ILE   4  -3.076   1.248   2.280
   25   2HG1  ILE   4          2HG1      ILE   4  -4.527   1.889   1.506
   26   1HG2  ILE   4          2HG2      ILE   4  -3.678   2.923   5.621
   27   2HG2  ILE   4          3HG2      ILE   4  -2.523   1.943   4.684
   28   3HG2  ILE   4          1HG2      ILE   4  -2.652   3.702   4.403
   29   1HD1  ILE   4          2HD1      ILE   4  -3.434   4.233   1.606
   30   2HD1  ILE   4          3HD1      ILE   4  -1.944   3.435   2.163
   31   3HD1  ILE   4          1HD1      ILE   4  -2.607   3.047   0.559
   32    H    ASN   5           H        ASN   5  -7.195   2.957   3.736
   33    HA   ASN   5           HA       ASN   5  -8.827   0.812   2.331
   34   1HB   ASN   5          1HB       ASN   5 -10.712   2.372   2.619
   35   2HB   ASN   5          2HB       ASN   5  -9.887   2.086   4.159
   36   1HD2  ASN   5          2HD2      ASN   5 -10.089   5.841   2.628
   37   2HD2  ASN   5          1HD2      ASN   5 -10.864   4.369   1.854
   38    H    VAL   6           H        VAL   6  -6.626   1.951   0.952
   39    HA   VAL   6           HA       VAL   6  -7.989   3.654  -1.213
   40    HB   VAL   6           HB       VAL   6  -5.046   2.923  -0.978
   41   1HG1  VAL   6          2HG1      VAL   6  -5.766   3.609  -3.269
   42   2HG1  VAL   6          1HG1      VAL   6  -6.476   5.106  -2.608
   43   3HG1  VAL   6          3HG1      VAL   6  -4.712   4.848  -2.535
   44   1HG2  VAL   6          3HG2      VAL   6  -6.563   5.464  -0.064
   45   2HG2  VAL   6          1HG2      VAL   6  -5.606   4.390   0.993
   46   3HG2  VAL   6          2HG2      VAL   6  -4.794   5.376  -0.235
   47    H    LYS   7           H        LYS   7  -8.209   2.875  -3.181
   48    HA   LYS   7           HA       LYS   7  -8.130  -0.172  -3.411
   49   1HB   LYS   7          1HB       LYS   7  -9.472   1.942  -5.192
   50   2HB   LYS   7          2HB       LYS   7  -9.476   0.203  -5.513
   51   1HG   LYS   7          1HG       LYS   7 -10.581  -0.197  -3.262
   52   2HG   LYS   7          2HG       LYS   7 -10.667   1.554  -3.006
   53   1HD   LYS   7          1HD       LYS   7 -12.001   1.802  -5.132
   54   2HD   LYS   7          2HD       LYS   7 -11.922   0.051  -5.384
   55   1HE   LYS   7          1HE       LYS   7 -13.091  -0.322  -3.173
   56   2HE   LYS   7          2HE       LYS   7 -13.169   1.433  -2.921
   57   1HZ   LYS   7          1HZ       LYS   7 -15.200   0.619  -3.890
   58   2HZ   LYS   7          2HZ       LYS   7 -14.465   1.630  -4.944
   59    H    CYS   8           H        CYS   8  -6.882  -1.157  -4.917
   60    HA   CYS   8           HA       CYS   8  -5.406   0.579  -6.960
   61   1HB   CYS   8          1HB       CYS   8  -3.192  -0.382  -6.297
   62   2HB   CYS   8          2HB       CYS   8  -3.956   0.434  -4.956
   63    H    SER   9           H        SER   9  -4.140  -0.563  -8.342
   64    HA   SER   9           HA       SER   9  -5.086  -3.423  -8.973
   65   1HB   SER   9          1HB       SER   9  -6.245  -1.409 -10.159
   66   2HB   SER   9          2HB       SER   9  -4.729  -1.156 -11.031
   67    HG   SER   9           HG       SER   9  -4.854  -3.349 -11.714
   68    H    GLY  10           H        GLY   1  -2.673  -1.514  -8.219
   69   1HA   GLY  10          1HA       GLY   1  -0.633  -3.331  -9.463
   70   2HA   GLY  10          2HA       GLY   1  -0.579  -1.674 -10.123
   71    H    SER  11           H        SER   1   1.206  -3.353  -8.348
   72    HA   SER  11           HA       SER   1   1.261  -2.036  -5.773
   73   1HB   SER  11          1HB       SER   1   3.428  -2.979  -5.384
   74   2HB   SER  11          2HB       SER   1   2.322  -4.152  -6.104
   75    HG   SER  11           HG       SER   1   4.290  -2.635  -7.496
   76    HA   PRO  12           HA       PRO   1   4.329   1.282  -6.929
   77   1HB   PRO  12          1HB       PRO   1   3.296   2.116  -9.683
   78   2HB   PRO  12          2HB       PRO   1   4.911   2.424  -8.980
   79   1HG   PRO  12          1HG       PRO   1   4.656   0.336 -10.669
   80   2HG   PRO  12          2HG       PRO   1   5.490   0.050  -9.113
   81   1HD   PRO  12          1HD       PRO   1   2.594  -0.619  -9.837
   82   2HD   PRO  12          2HD       PRO   1   3.787  -1.619  -8.968
   83    H    GLN  13           H        GLN   1   0.948   1.305  -7.862
   84    HA   GLN  13           HA       GLN   1   0.599   4.194  -7.189
   85   1HB   GLN  13          1HB       GLN   1  -1.475   1.940  -7.527
   86   2HB   GLN  13          2HB       GLN   1  -1.873   3.647  -7.294
   87   1HG   GLN  13          1HG       GLN   1  -0.545   4.229  -9.380
   88   2HG   GLN  13          2HG       GLN   1  -0.248   2.503  -9.657
   89   1HE2  GLN  13          1HE2      GLN   1  -3.764   4.138 -10.785
   90   2HE2  GLN  13          2HE2      GLN   1  -2.327   5.081 -10.141
   91    H    CYS  14           H        CYS   1   0.648   1.182  -5.478
   92    HA   CYS  14           HA       CYS   1  -0.868   2.201  -3.073
   93   1HB   CYS  14          2HB       CYS   1   0.895  -0.254  -3.685
   94   2HB   CYS  14          1HB       CYS   1   0.321   0.104  -2.042
   95    H    LEU  15           H        LEU   1   2.324   1.573  -4.286
   96    HA   LEU  15           HA       LEU   1   4.025   1.819  -2.036
   97   1HB   LEU  15          1HB       LEU   1   4.663   0.930  -4.238
   98   2HB   LEU  15          2HB       LEU   1   4.397   2.481  -5.010
   99    HG   LEU  15           HG       LEU   1   6.337   3.472  -3.748
  100   1HD1  LEU  15          3HD2      LEU   1   6.684   0.590  -2.691
  101   2HD1  LEU  15          2HD2      LEU   1   7.885   1.898  -2.532
  102   3HD1  LEU  15          1HD2      LEU   1   6.318   2.027  -1.696
  103   1HD2  LEU  15          2HD1      LEU   1   6.628   2.425  -5.999
  104   2HD2  LEU  15          3HD1      LEU   1   8.076   2.182  -4.984
  105   3HD2  LEU  15          1HD1      LEU   1   6.926   0.841  -5.234
  106    H    LYS  16           H        LYS   1   3.401   4.208  -4.452
  107    HA   LYS  16           HA       LYS   1   4.867   6.384  -3.322
  108   1HB   LYS  16          1HB       LYS   1   4.070   6.302  -5.646
  109   2HB   LYS  16          2HB       LYS   1   2.420   6.650  -5.112
  110   1HG   LYS  16          1HG       LYS   1   3.188   8.831  -4.114
  111   2HG   LYS  16          2HG       LYS   1   4.860   8.458  -4.563
  112   1HD   LYS  16          1HD       LYS   1   4.182   8.365  -6.993
  113   2HD   LYS  16          2HD       LYS   1   2.510   8.734  -6.541
  114   1HE   LYS  16          1HE       LYS   1   3.268  10.915  -5.511
  115   2HE   LYS  16          2HE       LYS   1   4.944  10.545  -5.964
  116   1HZ   LYS  16          1HZ       LYS   1   3.836  11.944  -7.595
  117   2HZ   LYS  16          2HZ       LYS   1   2.659  10.837  -7.842
  118    HA   PRO  17           HA       PRO   1   1.722   8.303  -0.580
  119   1HB   PRO  17          2HB       PRO   1  -0.784   7.352  -0.013
  120   2HB   PRO  17          1HB       PRO   1  -0.445   8.253  -1.517
  121   1HG   PRO  17          1HG       PRO   1  -0.493   5.204  -1.164
  122   2HG   PRO  17          2HG       PRO   1  -1.418   6.168  -2.354
  123   1HD   PRO  17          1HD       PRO   1   0.986   5.056  -3.085
  124   2HD   PRO  17          2HD       PRO   1   0.596   6.713  -3.599
  125    H    CYS  18           H        CYS   1   1.839   4.782  -0.488
  126    HA   CYS  18           HA       CYS   1   1.433   4.746   2.429
  127   1HB   CYS  18          1HB       CYS   1   1.248   2.726   0.706
  128   2HB   CYS  18          2HB       CYS   1   2.933   2.435   1.208
  129    H    LYS  19           H        LYS   1   4.241   5.349   0.454
  130    HA   LYS  19           HA       LYS   1   6.086   4.799   2.787
  131   1HB   LYS  19          1HB       LYS   1   7.905   5.531   1.361
  132   2HB   LYS  19          2HB       LYS   1   6.909   4.358   0.503
  133   1HG   LYS  19          1HG       LYS   1   5.776   6.240  -0.751
  134   2HG   LYS  19          2HG       LYS   1   6.791   7.418   0.100
  135   1HD   LYS  19          1HD       LYS   1   8.857   6.166  -0.740
  136   2HD   LYS  19          2HD       LYS   1   7.791   5.158  -1.729
  137   1HE   LYS  19          1HE       LYS   1   6.911   7.246  -2.877
  138   2HE   LYS  19          2HE       LYS   1   7.986   8.239  -1.875
  139   1HZ   LYS  19          1HZ       LYS   1   8.843   6.110  -3.763
  140   2HZ   LYS  19          2HZ       LYS   1   8.952   7.720  -4.029
  141    H    ASP  20           H        ASP   2   4.202   7.354   1.506
  142    HA   ASP  20           HA       ASP   2   5.681   9.407   3.126
  143   1HB   ASP  20          1HB       ASP   2   3.207   9.726   1.333
  144   2HB   ASP  20          2HB       ASP   2   4.100  11.057   2.087
  145    HD2  ASP  20           HD2      ASP   2   5.105  10.132  -1.448
  146    H    ALA  21           H        ALA   2   3.233   7.393   3.209
  147    HA   ALA  21           HA       ALA   2   1.731   8.758   5.429
  148   1HB   ALA  21          1HB       ALA   2   0.431   7.372   3.786
  149   2HB   ALA  21          3HB       ALA   2   1.269   5.908   4.369
  150   3HB   ALA  21          2HB       ALA   2   0.181   6.807   5.459
  151    H    GLY  22           H        GLY   2   4.562   7.323   5.673
  152   1HA   GLY  22          1HA       GLY   2   5.618   6.737   7.793
  153   2HA   GLY  22          2HA       GLY   2   4.031   6.727   8.574
  154    H    MET  23           H        MET   2   5.176   5.043   5.683
  155    HA   MET  23           HA       MET   2   5.266   2.427   7.272
  156   1HB   MET  23          1HB       MET   2   3.160   3.346   5.450
  157   2HB   MET  23          2HB       MET   2   3.955   1.928   4.741
  158   1HG   MET  23          1HG       MET   2   2.730   2.153   7.566
  159   2HG   MET  23          2HG       MET   2   2.027   1.280   6.187
  160   1HE   MET  23          3HE       MET   2   4.279   1.467   9.073
  161   2HE   MET  23          2HE       MET   2   3.016   0.207   9.304
  162   3HE   MET  23          1HE       MET   2   4.746  -0.246   9.313
  163    H    ARG  24           H        ARG   2   5.837   0.625   5.661
  164    HA   ARG  24           HA       ARG   2   8.390   1.577   4.263
  165   1HB   ARG  24          1HB       ARG   2   8.839   0.350   6.403
  166   2HB   ARG  24          2HB       ARG   2   7.934  -1.040   5.799
  167   1HG   ARG  24          1HG       ARG   2   9.542  -1.282   3.884
  168   2HG   ARG  24          2HG       ARG   2  10.376   0.201   4.378
  169   1HD   ARG  24          1HD       ARG   2  10.927  -0.903   6.626
  170   2HD   ARG  24          2HD       ARG   2  10.088  -2.339   6.083
  171   1HH1  ARG  24          1HH1      ARG   2  12.288   0.348   5.796
  172   2HH1  ARG  24          2HH1      ARG   2  14.000   0.418   5.140
  173   1HH2  ARG  24          1HH2      ARG   2  13.880  -2.803   3.916
  174   2HH2  ARG  24          2HH2      ARG   2  14.847  -1.260   4.139
  175    H    PHE  25           H        PHE   2   7.120   1.816   2.569
  176    HA   PHE  25           HA       PHE   2   6.402   1.279   0.441
  177   1HB   PHE  25          1HB       PHE   2   6.752  -1.021  -0.617
  178   2HB   PHE  25          2HB       PHE   2   8.023   0.158  -0.479
  179    HD1  PHE  25           HD2      PHE   2   6.730  -3.026   0.836
  180    HD2  PHE  25           HD1      PHE   2  10.001  -0.400   0.747
  181    HE1  PHE  25           HE2      PHE   2   8.145  -4.750   1.758
  182    HE2  PHE  25           HE1      PHE   2  11.415  -2.132   1.664
  183    HZ   PHE  25           HZ       PHE   2  10.488  -4.309   2.170
  184    H    GLY  26           H        GLY   2   4.994   0.720  -0.588
  185   1HA   GLY  26          1HA       GLY   2   2.651  -0.685   0.841
  186   2HA   GLY  26          2HA       GLY   2   2.413   0.691  -0.234
  187    H    LYS  27           H        LYS   2   2.440  -2.532   0.079
  188    HA   LYS  27           HA       LYS   2   2.954  -3.129  -2.902
  189   1HB   LYS  27          1HB       LYS   2   2.532  -5.029  -0.522
  190   2HB   LYS  27          2HB       LYS   2   2.734  -5.542  -2.201
  191   1HG   LYS  27          1HG       LYS   2   4.981  -4.365  -2.277
  192   2HG   LYS  27          2HG       LYS   2   4.808  -3.950  -0.564
  193   1HD   LYS  27          1HD       LYS   2   4.600  -6.396   0.012
  194   2HD   LYS  27          2HD       LYS   2   4.762  -6.815  -1.701
  195   1HE   LYS  27          1HE       LYS   2   7.036  -5.713  -1.759
  196   2HE   LYS  27          2HE       LYS   2   6.874  -5.293  -0.042
  197   1HZ   LYS  27          1HZ       LYS   2   6.789  -8.055  -1.137
  198   2HZ   LYS  27          2HZ       LYS   2   6.641  -7.668   0.444
  199    H    CYS  28           H        CYS   2   1.286  -3.560  -4.232
  200    HA   CYS  28           HA       CYS   2  -1.431  -3.171  -3.110
  201   1HB   CYS  28          1HB       CYS   2  -0.929  -2.270  -5.333
  202   2HB   CYS  28          2HB       CYS   2  -0.652  -3.905  -5.974
  203    H    MET  29           H        MET   2  -3.044  -4.685  -2.927
  204    HA   MET  29           HA       MET   2  -2.521  -7.500  -3.734
  205   1HB   MET  29          1HB       MET   2  -1.103  -7.205  -1.635
  206   2HB   MET  29          2HB       MET   2  -2.568  -6.819  -0.727
  207   1HG   MET  29          1HG       MET   2  -1.960  -9.212  -0.422
  208   2HG   MET  29          2HG       MET   2  -3.513  -9.108  -1.270
  209   1HE   MET  29          2HE       MET   2  -3.257 -11.598  -2.055
  210   2HE   MET  29          3HE       MET   2  -1.815 -12.249  -2.893
  211   3HE   MET  29          1HE       MET   2  -1.692 -11.702  -1.192
  212    H    ASN  30           H        ASN   3  -4.296  -8.473  -4.066
  213    HA   ASN  30           HA       ASN   3  -6.581  -8.797  -4.416
  214   1HB   ASN  30          1HB       ASN   3  -7.924  -9.288  -2.522
  215   2HB   ASN  30          2HB       ASN   3  -6.284  -9.833  -2.200
  216   1HD2  ASN  30          1HD2      ASN   3  -5.901  -7.859   0.701
  217   2HD2  ASN  30          2HD2      ASN   3  -5.149  -8.983  -0.539
  218    H    ARG  31           H        ARG   3  -5.940  -6.463  -5.277
  219    HA   ARG  31           HA       ARG   3  -6.838  -4.469  -6.051
  220   1HB   ARG  31          1HB       ARG   3  -8.831  -6.152  -6.240
  221   2HB   ARG  31          2HB       ARG   3  -9.573  -5.196  -4.952
  222   1HG   ARG  31          1HG       ARG   3  -9.206  -3.091  -6.386
  223   2HG   ARG  31          2HG       ARG   3  -8.551  -4.115  -7.664
  224   1HD   ARG  31          1HD       ARG   3 -11.377  -4.394  -6.463
  225   2HD   ARG  31          2HD       ARG   3 -10.993  -3.512  -7.959
  226   1HH1  ARG  31          2HH2      ARG   3 -12.889  -4.412  -7.911
  227   2HH1  ARG  31          1HH2      ARG   3 -13.835  -5.643  -8.888
  228   1HH2  ARG  31          1HH1      ARG   3 -11.058  -7.648  -9.386
  229   2HH2  ARG  31          2HH1      ARG   3 -12.850  -7.385  -9.682
  230    H    LYS  32           H        LYS   3  -5.816  -4.540  -3.265
  231    HA   LYS  32           HA       LYS   3  -6.764  -1.755  -2.573
  232   1HB   LYS  32          1HB       LYS   3  -7.125  -4.206  -0.737
  233   2HB   LYS  32          2HB       LYS   3  -6.894  -2.587  -0.081
  234   1HG   LYS  32          1HG       LYS   3  -8.934  -1.775  -1.333
  235   2HG   LYS  32          2HG       LYS   3  -9.216  -3.431  -1.900
  236   1HD   LYS  32          1HD       LYS   3  -9.372  -4.233   0.480
  237   2HD   LYS  32          2HD       LYS   3  -8.996  -2.607   1.063
  238   1HE   LYS  32          1HE       LYS   3 -11.425  -2.924   1.187
  239   2HE   LYS  32          2HE       LYS   3 -11.085  -1.721  -0.069
  240   1HZ   LYS  32          1HZ       LYS   3 -11.622  -4.610  -0.519
  241   2HZ   LYS  32          2HZ       LYS   3 -12.676  -3.390  -0.791
  242    H    CYS  33           H        CYS   3  -4.919  -0.642  -1.765
  243    HA   CYS  33           HA       CYS   3  -2.523  -1.960  -1.551
  244   1HB   CYS  33          1HB       CYS   3  -3.541   0.598  -0.176
  245   2HB   CYS  33          2HB       CYS   3  -1.812   0.191  -0.373
  246    H    HIS  34           H        HIS   3  -1.084  -2.370  -0.029
  247    HA   HIS  34           HA       HIS   3  -1.972  -2.736   2.825
  248   1HB   HIS  34          1HB       HIS   3  -0.988  -5.033   1.026
  249   2HB   HIS  34          2HB       HIS   3  -0.703  -5.032   2.769
  250    HD2  HIS  34           HD2      HIS   3  -3.623  -5.015   0.243
  251    HE1  HIS  34           HE1      HIS   3  -5.170  -6.485   3.785
  252    HE2  HIS  34           HE2      HIS   3  -5.792  -6.096   1.335
  253    H    CYS  35           H        CYS   3  -0.017  -2.745   4.083
  254    HA   CYS  35           HA       CYS   3   2.543  -2.298   2.426
  255   1HB   CYS  35          2HB       CYS   3   2.049  -0.558   4.861
  256   2HB   CYS  35          1HB       CYS   3   3.106  -0.326   3.447
  257    H    THR  36           H        THR   3   4.485  -2.119   3.893
  258    HA   THR  36           HA       THR   3   4.474  -4.798   5.182
  259    HB   THR  36           HB       THR   3   6.801  -2.866   5.087
  260    HG1  THR  36           HG1      THR   3   5.787  -4.719   3.197
  261   1HG2  THR  36          3HG2      THR   3   6.567  -5.933   5.087
  262   2HG2  THR  36          1HG2      THR   3   8.080  -4.996   4.971
  263   3HG2  THR  36          2HG2      THR   3   7.109  -4.933   6.468
  264    HA   PRO  37           HA       PRO   3   3.984  -2.375   9.216
  265   1HB   PRO  37          1HB       PRO   3   3.782  -4.547  10.989
  266   2HB   PRO  37          2HB       PRO   3   2.434  -3.745  10.142
  267   1HG   PRO  37          1HG       PRO   3   3.952  -6.252   9.286
  268   2HG   PRO  37          2HG       PRO   3   2.183  -6.001   9.323
  269   1HD   PRO  37          1HD       PRO   3   3.513  -5.745   6.978
  270   2HD   PRO  37          2HD       PRO   3   2.296  -4.483   7.393
  271    H    LYS  38           H        LYS   3   5.948  -1.486   9.450
  272    HA   LYS  38           HA       LYS   3   8.318  -3.196   9.966
  273   1HB   LYS  38          1HB       LYS   3   8.402  -0.934   8.828
  274   2HB   LYS  38          2HB       LYS   3   7.961  -0.160  10.356
  275   1HG   LYS  38          1HG       LYS   3  10.056  -1.063  11.433
  276   2HG   LYS  38          2HG       LYS   3  10.419  -1.974   9.970
  277   1HD   LYS  38          1HD       LYS   3  11.794   0.021   9.938
  278   2HD   LYS  38          2HD       LYS   3  10.604   0.147   8.644
  279   1HE   LYS  38          1HE       LYS   3  10.844   2.314   9.797
  280   2HE   LYS  38          2HE       LYS   3   9.209   1.710  10.069
  281   1HZ   LYS  38          1HZ       LYS   3  10.181   2.494  12.103
  282   2HZ   LYS  38          2HZ       LYS   3   9.925   0.885  12.227
  283    HXT  LYS  38           HO       OH    3   8.224  -4.273  11.602
   
  No H/Q in entry =         283
  Start of MODEL   14
    1   1H    GLY   1          1H        GLY   1   0.555  -7.032   9.393
    2   2H    GLY   1          2H        GLY   1   1.672  -5.848   9.245
    3   1HA   GLY   1          1HA       GLY   1   1.249  -5.656   6.849
    4   2HA   GLY   1          2HA       GLY   1   0.038  -6.942   7.015
    5    H    VAL   2           H        VAL   2   0.004  -3.959   6.383
    6    HA   VAL   2           HA       VAL   2  -2.525  -3.491   7.874
    7    HB   VAL   2           HB       VAL   2  -0.825  -2.836   9.535
    8   1HG1  VAL   2          2HG1      VAL   2   0.968  -1.951   7.963
    9   2HG1  VAL   2          3HG1      VAL   2  -0.060  -0.536   7.645
   10   3HG1  VAL   2          1HG1      VAL   2   0.567  -0.825   9.289
   11   1HG2  VAL   2          3HG2      VAL   2  -3.068  -1.765   9.504
   12   2HG2  VAL   2          1HG2      VAL   2  -1.817  -0.628  10.082
   13   3HG2  VAL   2          2HG2      VAL   2  -2.453  -0.482   8.418
   14    H    GLU   3           H        GLU   3  -3.810  -2.952   6.465
   15    HA   GLU   3           HA       GLU   3  -2.874  -1.508   3.963
   16   1HB   GLU   3          1HB       GLU   3  -4.878  -2.306   2.913
   17   2HB   GLU   3          2HB       GLU   3  -4.130  -3.634   3.792
   18   1HG   GLU   3          1HG       GLU   3  -6.235  -4.020   4.554
   19   2HG   GLU   3          2HG       GLU   3  -5.885  -2.774   5.752
   20    HE2  GLU   3           HE2      GLU   3  -8.673  -1.129   4.743
   21    H    ILE   4           H        ILE   4  -3.774   0.255   3.128
   22    HA   ILE   4           HA       ILE   4  -5.054   2.090   5.202
   23    HB   ILE   4           HB       ILE   4  -4.644   3.893   3.541
   24   1HG1  ILE   4          1HG1      ILE   4  -2.937   1.826   2.021
   25   2HG1  ILE   4          2HG1      ILE   4  -4.531   2.356   1.476
   26   1HG2  ILE   4          2HG2      ILE   4  -3.117   3.266   5.462
   27   2HG2  ILE   4          3HG2      ILE   4  -2.164   2.248   4.353
   28   3HG2  ILE   4          1HG2      ILE   4  -2.226   4.017   4.123
   29   1HD1  ILE   4          3HD1      ILE   4  -3.711   4.768   1.457
   30   2HD1  ILE   4          2HD1      ILE   4  -2.077   4.187   1.868
   31   3HD1  ILE   4          1HD1      ILE   4  -2.826   3.708   0.329
   32    H    ASN   5           H        ASN   5  -6.765   3.548   4.176
   33    HA   ASN   5           HA       ASN   5  -8.829   1.668   2.988
   34   1HB   ASN   5          1HB       ASN   5 -10.387   3.609   3.485
   35   2HB   ASN   5          2HB       ASN   5  -9.562   2.920   4.890
   36   1HD2  ASN   5          1HD2      ASN   5  -8.033   5.926   5.814
   37   2HD2  ASN   5          2HD2      ASN   5  -8.512   4.193   6.181
   38    H    VAL   6           H        VAL   6  -7.170   1.930   1.023
   39    HA   VAL   6           HA       VAL   6  -8.628   3.783  -0.924
   40    HB   VAL   6           HB       VAL   6  -5.607   3.401  -1.084
   41   1HG1  VAL   6          2HG1      VAL   6  -6.765   4.083  -3.188
   42   2HG1  VAL   6          3HG1      VAL   6  -7.502   5.473  -2.348
   43   3HG1  VAL   6          1HG1      VAL   6  -5.738   5.409  -2.593
   44   1HG2  VAL   6          1HG2      VAL   6  -5.947   4.765   1.005
   45   2HG2  VAL   6          3HG2      VAL   6  -5.220   5.744  -0.300
   46   3HG2  VAL   6          2HG2      VAL   6  -6.954   5.917   0.087
   47    H    LYS   7           H        LYS   7  -9.013   2.779  -2.726
   48    HA   LYS   7           HA       LYS   7  -8.161  -0.131  -2.922
   49   1HB   LYS   7          1HB       LYS   7  -9.975   1.570  -4.753
   50   2HB   LYS   7          2HB       LYS   7  -9.620  -0.145  -5.002
   51   1HG   LYS   7          1HG       LYS   7 -10.582  -0.666  -2.715
   52   2HG   LYS   7          2HG       LYS   7 -11.008   1.041  -2.514
   53   1HD   LYS   7          1HD       LYS   7 -12.418   0.937  -4.603
   54   2HD   LYS   7          2HD       LYS   7 -11.997  -0.771  -4.802
   55   1HE   LYS   7          1HE       LYS   7 -13.013  -1.286  -2.545
   56   2HE   LYS   7          2HE       LYS   7 -13.435   0.426  -2.345
   57   1HZ   LYS   7          1HZ       LYS   7 -14.368  -1.312  -4.568
   58   2HZ   LYS   7          2HZ       LYS   7 -14.757   0.265  -4.385
   59    H    CYS   8           H        CYS   8  -6.517  -0.746  -4.204
   60    HA   CYS   8           HA       CYS   8  -4.957   1.484  -5.519
   61   1HB   CYS   8          1HB       CYS   8  -3.136  -0.072  -5.592
   62   2HB   CYS   8          2HB       CYS   8  -3.968  -0.400  -4.071
   63    H    SER   9           H        SER   9  -3.748   0.527  -7.455
   64    HA   SER   9           HA       SER   9  -5.681  -0.736  -9.491
   65   1HB   SER   9          1HB       SER   9  -3.947   1.810  -9.609
   66   2HB   SER   9          2HB       SER   9  -4.368   0.902 -11.066
   67    HG   SER   9           HG       SER   9  -6.576   1.127 -10.464
   68    H    GLY  10           H        GLY   1  -3.255  -1.146  -7.716
   69   1HA   GLY  10          1HA       GLY   1  -1.916  -3.330  -8.721
   70   2HA   GLY  10          2HA       GLY   1  -1.198  -2.065  -9.754
   71    H    SER  11           H        SER   1   0.320  -3.608  -8.112
   72    HA   SER  11           HA       SER   1   0.856  -2.388  -5.546
   73   1HB   SER  11          1HB       SER   1   2.898  -3.621  -5.444
   74   2HB   SER  11          2HB       SER   1   1.623  -4.622  -6.149
   75    HG   SER  11           HG       SER   1   3.601  -3.156  -7.593
   76    HA   PRO  12           HA       PRO   1   4.106   0.601  -7.144
   77   1HB   PRO  12          1HB       PRO   1   3.644   1.887  -9.661
   78   2HB   PRO  12          2HB       PRO   1   4.918   0.710  -9.250
   79   1HG   PRO  12          1HG       PRO   1   2.190   0.179 -10.500
   80   2HG   PRO  12          2HG       PRO   1   3.766  -0.530 -10.957
   81   1HD   PRO  12          1HD       PRO   1   2.072  -1.988  -9.434
   82   2HD   PRO  12          2HD       PRO   1   3.791  -1.926  -8.931
   83    H    GLN  13           H        GLN   1   0.707   0.852  -7.727
   84    HA   GLN  13           HA       GLN   1   0.654   3.816  -7.104
   85   1HB   GLN  13          1HB       GLN   1  -1.620   1.784  -7.565
   86   2HB   GLN  13          2HB       GLN   1  -1.849   3.518  -7.330
   87   1HG   GLN  13          1HG       GLN   1  -0.288   2.247  -9.678
   88   2HG   GLN  13          2HG       GLN   1  -1.941   2.855  -9.747
   89   1HE2  GLN  13          2HE2      GLN   1   0.345   5.541 -10.977
   90   2HE2  GLN  13          1HE2      GLN   1  -0.024   3.795 -11.405
   91    H    CYS  14           H        CYS   1   0.923   0.906  -5.489
   92    HA   CYS  14           HA       CYS   1  -0.797   1.621  -3.095
   93   1HB   CYS  14          2HB       CYS   1  -0.398  -0.804  -3.727
   94   2HB   CYS  14          1HB       CYS   1   1.329  -0.628  -3.529
   95    H    LEU  15           H        LEU   1   2.408   1.256  -4.321
   96    HA   LEU  15           HA       LEU   1   4.117   1.922  -2.163
   97   1HB   LEU  15          1HB       LEU   1   4.819   1.010  -4.370
   98   2HB   LEU  15          2HB       LEU   1   4.401   2.517  -5.164
   99    HG   LEU  15           HG       LEU   1   6.219   3.711  -3.857
  100   1HD1  LEU  15          1HD2      LEU   1   6.911   0.850  -2.914
  101   2HD1  LEU  15          2HD2      LEU   1   7.927   2.297  -2.679
  102   3HD1  LEU  15          3HD2      LEU   1   6.349   2.175  -1.859
  103   1HD2  LEU  15          1HD1      LEU   1   6.599   2.774  -6.141
  104   2HD2  LEU  15          3HD1      LEU   1   8.073   2.655  -5.143
  105   3HD2  LEU  15          2HD1      LEU   1   7.071   1.207  -5.429
  106    H    LYS  16           H        LYS   1   3.008   4.048  -4.615
  107    HA   LYS  16           HA       LYS   1   4.232   6.484  -3.674
  108   1HB   LYS  16          1HB       LYS   1   3.335   6.224  -5.938
  109   2HB   LYS  16          2HB       LYS   1   1.680   6.301  -5.315
  110   1HG   LYS  16          1HG       LYS   1   2.119   8.604  -4.394
  111   2HG   LYS  16          2HG       LYS   1   3.808   8.482  -4.877
  112   1HD   LYS  16          1HD       LYS   1   2.677   9.819  -6.552
  113   2HD   LYS  16          2HD       LYS   1   3.150   8.290  -7.290
  114   1HE   LYS  16          1HE       LYS   1   0.875   8.918  -8.008
  115   2HE   LYS  16          2HE       LYS   1   0.778   7.434  -7.058
  116   1HZ   LYS  16          1HZ       LYS   1   0.291  10.176  -6.015
  117   2HZ   LYS  16          2HZ       LYS   1   0.201   8.810  -5.121
  118    HA   PRO  17           HA       PRO   1   0.900   7.966  -0.844
  119   1HB   PRO  17          1HB       PRO   1  -1.134   6.307   0.161
  120   2HB   PRO  17          2HB       PRO   1  -1.304   7.386  -1.245
  121   1HG   PRO  17          1HG       PRO   1  -0.688   4.398  -1.252
  122   2HG   PRO  17          2HG       PRO   1  -1.865   5.278  -2.270
  123   1HD   PRO  17          1HD       PRO   1   0.648   4.655  -3.252
  124   2HD   PRO  17          2HD       PRO   1  -0.098   6.222  -3.634
  125    H    CYS  18           H        CYS   1   1.559   4.517  -0.492
  126    HA   CYS  18           HA       CYS   1   1.718   4.361   2.395
  127   1HB   CYS  18          1HB       CYS   1   2.626   2.613   0.147
  128   2HB   CYS  18          2HB       CYS   1   3.518   2.438   1.673
  129    H    LYS  19           H        LYS   1   4.259   5.171   0.101
  130    HA   LYS  19           HA       LYS   1   6.179   5.444   2.404
  131   1HB   LYS  19          1HB       LYS   1   6.826   4.720   0.054
  132   2HB   LYS  19          2HB       LYS   1   6.499   6.356  -0.525
  133   1HG   LYS  19          1HG       LYS   1   8.263   7.266   1.022
  134   2HG   LYS  19          2HG       LYS   1   8.537   5.645   1.681
  135   1HD   LYS  19          1HD       LYS   1   9.189   4.825  -0.616
  136   2HD   LYS  19          2HD       LYS   1   8.912   6.446  -1.273
  137   1HE   LYS  19          1HE       LYS   1  10.664   7.382   0.292
  138   2HE   LYS  19          2HE       LYS   1  10.941   5.757   0.951
  139   1HZ   LYS  19          1HZ       LYS   1  12.520   6.259  -0.776
  140   2HZ   LYS  19          2HZ       LYS   1  11.576   5.012  -1.252
  141    H    ASP  20           H        ASP   2   3.890   7.460   0.884
  142    HA   ASP  20           HA       ASP   2   5.121   9.960   2.129
  143   1HB   ASP  20          1HB       ASP   2   4.541   9.874  -0.387
  144   2HB   ASP  20          2HB       ASP   2   2.839   9.767   0.082
  145    HD2  ASP  20           HD2      ASP   2   1.921  11.474   0.027
  146    H    ALA  21           H        ALA   2   3.284   7.638   2.974
  147    HA   ALA  21           HA       ALA   2   1.925   9.407   5.049
  148   1HB   ALA  21          2HB       ALA   2   0.312   8.656   3.236
  149   2HB   ALA  21          3HB       ALA   2   0.720   6.958   3.593
  150   3HB   ALA  21          1HB       ALA   2  -0.116   7.947   4.816
  151    H    GLY  22           H        GLY   2   4.278   8.183   5.541
  152   1HA   GLY  22          1HA       GLY   2   5.251   6.948   7.347
  153   2HA   GLY  22          2HA       GLY   2   3.664   6.977   8.102
  154    H    MET  23           H        MET   2   4.931   5.343   5.184
  155    HA   MET  23           HA       MET   2   4.650   2.690   6.663
  156   1HB   MET  23          1HB       MET   2   2.610   3.746   4.966
  157   2HB   MET  23          2HB       MET   2   3.495   2.634   3.926
  158   1HG   MET  23          1HG       MET   2   1.657   1.431   4.977
  159   2HG   MET  23          2HG       MET   2   3.167   0.801   5.674
  160   1HE   MET  23          2HE       MET   2   2.852   0.022   7.772
  161   2HE   MET  23          3HE       MET   2   3.930   1.336   8.300
  162   3HE   MET  23          1HE       MET   2   2.467   0.961   9.247
  163    H    ARG  24           H        ARG   2   5.597   0.880   5.243
  164    HA   ARG  24           HA       ARG   2   8.152   2.104   4.124
  165   1HB   ARG  24          1HB       ARG   2   7.603  -0.829   4.710
  166   2HB   ARG  24          2HB       ARG   2   9.117  -0.103   4.142
  167   1HG   ARG  24          1HG       ARG   2   9.087   1.383   6.218
  168   2HG   ARG  24          2HG       ARG   2   7.712   0.429   6.806
  169   1HD   ARG  24          1HD       ARG   2   9.618  -0.579   7.809
  170   2HD   ARG  24          2HD       ARG   2   9.138  -1.684   6.504
  171   1HH1  ARG  24          1HH1      ARG   2  10.665  -2.399   7.740
  172   2HH1  ARG  24          2HH1      ARG   2  12.407  -2.957   7.590
  173   1HH2  ARG  24          1HH2      ARG   2  13.183  -0.493   5.287
  174   2HH2  ARG  24          2HH2      ARG   2  13.762  -1.931   6.270
  175    H    PHE  25           H        PHE   2   7.725  -0.680   2.869
  176    HA   PHE  25           HA       PHE   2   7.251   0.523   0.139
  177   1HB   PHE  25          1HB       PHE   2   7.277  -2.463   0.308
  178   2HB   PHE  25          2HB       PHE   2   8.063  -1.409  -0.855
  179    HD1  PHE  25           HD1      PHE   2  10.071  -0.055  -0.010
  180    HD2  PHE  25           HD2      PHE   2   8.524  -3.349   2.072
  181    HE1  PHE  25           HE1      PHE   2  12.176  -0.305   1.159
  182    HE2  PHE  25           HE2      PHE   2  10.627  -3.598   3.239
  183    HZ   PHE  25           HZ       PHE   2  12.453  -2.076   2.785
  184    H    GLY  26           H        GLY   2   5.823  -0.371  -1.354
  185   1HA   GLY  26          2HA       GLY   2   3.068  -0.883  -0.064
  186   2HA   GLY  26          1HA       GLY   2   3.284  -0.087  -1.606
  187    H    LYS  27           H        LYS   2   2.077  -2.555  -0.454
  188    HA   LYS  27           HA       LYS   2   2.721  -4.278  -2.938
  189   1HB   LYS  27          1HB       LYS   2   2.404  -5.204  -0.009
  190   2HB   LYS  27          2HB       LYS   2   2.294  -6.299  -1.389
  191   1HG   LYS  27          1HG       LYS   2   4.626  -5.686  -2.097
  192   2HG   LYS  27          2HG       LYS   2   4.759  -4.587  -0.715
  193   1HD   LYS  27          1HD       LYS   2   4.349  -6.519   0.860
  194   2HD   LYS  27          2HD       LYS   2   4.215  -7.617  -0.523
  195   1HE   LYS  27          1HE       LYS   2   6.570  -7.023  -1.225
  196   2HE   LYS  27          2HE       LYS   2   6.704  -5.922   0.161
  197   1HZ   LYS  27          1HZ       LYS   2   6.328  -7.791   1.636
  198   2HZ   LYS  27          2HZ       LYS   2   7.627  -8.067   0.683
  199    H    CYS  28           H        CYS   2   0.895  -4.057  -4.059
  200    HA   CYS  28           HA       CYS   2  -1.654  -3.720  -2.598
  201   1HB   CYS  28          1HB       CYS   2  -1.276  -2.661  -4.837
  202   2HB   CYS  28          2HB       CYS   2  -1.603  -4.259  -5.573
  203    H    MET  29           H        MET   2  -3.235  -5.065  -2.285
  204    HA   MET  29           HA       MET   2  -3.065  -7.913  -3.310
  205   1HB   MET  29          1HB       MET   2  -1.753  -7.696  -1.116
  206   2HB   MET  29          2HB       MET   2  -3.261  -7.297  -0.292
  207   1HG   MET  29          1HG       MET   2  -2.915  -9.873  -1.965
  208   2HG   MET  29          2HG       MET   2  -2.454  -9.783  -0.255
  209   1HE   MET  29          3HE       MET   2  -4.026 -11.787   0.307
  210   2HE   MET  29          1HE       MET   2  -5.764 -11.852  -0.122
  211   3HE   MET  29          2HE       MET   2  -4.522 -11.878  -1.412
  212    H    ASN  30           H        ASN   3  -4.901  -8.474  -3.962
  213    HA   ASN  30           HA       ASN   3  -7.223  -8.492  -4.419
  214   1HB   ASN  30          1HB       ASN   3  -7.006  -9.359  -2.009
  215   2HB   ASN  30          2HB       ASN   3  -7.522  -7.759  -1.455
  216   1HD2  ASN  30          1HD2      ASN   3 -10.592  -9.818  -1.695
  217   2HD2  ASN  30          2HD2      ASN   3  -9.047  -9.715  -0.710
  218    H    ARG  31           H        ARG   3  -6.044  -6.153  -5.124
  219    HA   ARG  31           HA       ARG   3  -6.537  -3.921  -5.739
  220   1HB   ARG  31          1HB       ARG   3  -9.434  -4.630  -5.035
  221   2HB   ARG  31          2HB       ARG   3  -8.909  -3.270  -6.024
  222   1HG   ARG  31          1HG       ARG   3  -8.522  -6.248  -6.762
  223   2HG   ARG  31          2HG       ARG   3  -9.797  -5.195  -7.360
  224   1HD   ARG  31          1HD       ARG   3  -8.077  -3.651  -8.366
  225   2HD   ARG  31          2HD       ARG   3  -6.790  -4.759  -7.828
  226   1HH1  ARG  31          1HH1      ARG   3  -6.405  -3.750  -9.625
  227   2HH1  ARG  31          2HH1      ARG   3  -6.033  -4.169 -11.372
  228   1HH2  ARG  31          1HH2      ARG   3  -8.279  -6.803 -11.402
  229   2HH2  ARG  31          2HH2      ARG   3  -7.043  -5.814 -12.329
  230    H    LYS  32           H        LYS   3  -5.837  -4.450  -2.964
  231    HA   LYS  32           HA       LYS   3  -6.684  -1.671  -1.987
  232   1HB   LYS  32          1HB       LYS   3  -6.652  -4.328  -0.420
  233   2HB   LYS  32          2HB       LYS   3  -6.638  -2.741   0.359
  234   1HG   LYS  32          1HG       LYS   3  -8.812  -2.149  -0.732
  235   2HG   LYS  32          2HG       LYS   3  -8.853  -3.730  -1.529
  236   1HD   LYS  32          1HD       LYS   3  -8.750  -4.861   0.740
  237   2HD   LYS  32          2HD       LYS   3  -8.808  -3.276   1.523
  238   1HE   LYS  32          1HE       LYS   3 -10.972  -4.384  -0.383
  239   2HE   LYS  32          2HE       LYS   3 -11.072  -4.405   1.387
  240   1HZ   LYS  32          1HZ       LYS   3 -10.848  -1.975  -0.303
  241   2HZ   LYS  32          2HZ       LYS   3 -12.209  -2.504   0.431
  242    H    CYS  33           H        CYS   3  -4.968  -0.550  -1.277
  243    HA   CYS  33           HA       CYS   3  -2.339  -1.736  -1.599
  244   1HB   CYS  33          2HB       CYS   3  -2.936   0.653  -1.814
  245   2HB   CYS  33          1HB       CYS   3  -3.278   0.732  -0.064
  246    H    HIS  34           H        HIS   3  -1.431  -2.897  -0.415
  247    HA   HIS  34           HA       HIS   3  -1.989  -3.098   2.622
  248   1HB   HIS  34          1HB       HIS   3  -1.327  -5.405   0.706
  249   2HB   HIS  34          2HB       HIS   3  -0.764  -5.421   2.378
  250    HD2  HIS  34           HD2      HIS   3  -4.182  -4.867   0.496
  251    HE1  HIS  34           HE1      HIS   3  -5.002  -6.812   4.075
  252    HE2  HIS  34           HE2      HIS   3  -6.135  -5.941   1.939
  253    H    CYS  35           H        CYS   3   0.171  -3.226   3.718
  254    HA   CYS  35           HA       CYS   3   2.519  -2.662   1.876
  255   1HB   CYS  35          2HB       CYS   3   1.650  -0.595   3.979
  256   2HB   CYS  35          1HB       CYS   3   3.123  -0.568   2.976
  257    H    THR  36           H        THR   3   4.425  -2.005   3.514
  258    HA   THR  36           HA       THR   3   4.600  -4.592   5.142
  259    HB   THR  36           HB       THR   3   7.125  -3.879   4.987
  260    HG1  THR  36           HG1      THR   3   6.608  -1.876   4.023
  261   1HG2  THR  36          1HG2      THR   3   5.458  -4.904   2.595
  262   2HG2  THR  36          2HG2      THR   3   7.210  -5.154   2.822
  263   3HG2  THR  36          3HG2      THR   3   6.048  -5.907   3.948
  264    HA   PRO  37           HA       PRO   3   4.800  -1.046   8.228
  265   1HB   PRO  37          1HB       PRO   3   3.884  -2.431  10.518
  266   2HB   PRO  37          2HB       PRO   3   2.831  -1.579   9.371
  267   1HG   PRO  37          1HG       PRO   3   3.456  -4.549   9.486
  268   2HG   PRO  37          2HG       PRO   3   1.887  -3.757   9.183
  269   1HD   PRO  37          1HD       PRO   3   3.433  -4.779   7.111
  270   2HD   PRO  37          2HD       PRO   3   2.454  -3.290   6.894
  271    H    LYS  38           H        LYS   3   6.352  -0.476   9.425
  272    HA   LYS  38           HA       LYS   3   8.694  -2.198   9.640
  273   1HB   LYS  38          1HB       LYS   3   8.656   0.364   9.628
  274   2HB   LYS  38          2HB       LYS   3   8.067   0.329  11.292
  275   1HG   LYS  38          1HG       LYS   3  10.145  -0.906  12.015
  276   2HG   LYS  38          2HG       LYS   3  10.703  -0.960  10.335
  277   1HD   LYS  38          1HD       LYS   3  10.712   1.562  10.260
  278   2HD   LYS  38          2HD       LYS   3  10.147   1.615  11.937
  279   1HE   LYS  38          1HE       LYS   3  12.210   0.354  12.675
  280   2HE   LYS  38          2HE       LYS   3  12.777   0.301  10.993
  281   1HZ   LYS  38          1HZ       LYS   3  12.210   2.785  12.524
  282   2HZ   LYS  38          2HZ       LYS   3  12.732   2.736  10.975
  283    HXT  LYS  38           HO       OH    3   9.377  -3.382  11.065
   
  No H/Q in entry =         283
  Start of MODEL   15
    1   1H    GLY   1          1H        GLY   1  -1.929   3.133   8.837
    2   2H    GLY   1          2H        GLY   1  -2.454   3.062   7.291
    3   1HA   GLY   1          1HA       GLY   1  -0.431   1.903   6.582
    4   2HA   GLY   1          2HA       GLY   1   0.140   1.980   8.263
    5    H    VAL   2           H        VAL   2  -0.048  -0.379   7.147
    6    HA   VAL   2           HA       VAL   2  -0.932  -2.547   7.424
    7    HB   VAL   2           HB       VAL   2  -2.437  -1.333   9.802
    8   1HG1  VAL   2          2HG2      VAL   2  -1.688  -4.235   9.056
    9   2HG1  VAL   2          1HG2      VAL   2  -2.322  -3.730  10.642
   10   3HG1  VAL   2          3HG2      VAL   2  -3.343  -3.578   9.197
   11   1HG2  VAL   2          1HG1      VAL   2   0.350  -2.640   9.571
   12   2HG2  VAL   2          2HG1      VAL   2   0.008  -0.961  10.078
   13   3HG2  VAL   2          3HG1      VAL   2  -0.487  -2.319  11.110
   14    H    GLU   3           H        GLU   3  -1.852  -2.188   5.444
   15    HA   GLU   3           HA       GLU   3  -3.635  -2.322   3.902
   16   1HB   GLU   3          1HB       GLU   3  -4.142  -4.321   5.238
   17   2HB   GLU   3          2HB       GLU   3  -5.151  -3.377   6.339
   18   1HG   GLU   3          1HG       GLU   3  -6.722  -2.819   4.438
   19   2HG   GLU   3          2HG       GLU   3  -5.660  -3.680   3.310
   20    HE1  GLU   3           HE2      GLU   3  -6.635  -6.359   6.043
   21    H    ILE   4           H        ILE   4  -3.523  -0.102   3.658
   22    HA   ILE   4           HA       ILE   4  -5.461   1.569   5.184
   23    HB   ILE   4           HB       ILE   4  -4.842   3.402   3.636
   24   1HG1  ILE   4          1HG1      ILE   4  -2.942   1.357   2.309
   25   2HG1  ILE   4          2HG1      ILE   4  -4.414   2.000   1.575
   26   1HG2  ILE   4          3HG2      ILE   4  -3.590   2.729   5.757
   27   2HG2  ILE   4          1HG2      ILE   4  -2.413   1.856   4.743
   28   3HG2  ILE   4          2HG2      ILE   4  -2.581   3.627   4.605
   29   1HD1  ILE   4          2HD1      ILE   4  -3.412   4.368   1.838
   30   2HD1  ILE   4          1HD1      ILE   4  -1.893   3.597   2.356
   31   3HD1  ILE   4          3HD1      ILE   4  -2.528   3.293   0.723
   32    H    ASN   5           H        ASN   5  -7.025   2.936   3.774
   33    HA   ASN   5           HA       ASN   5  -8.737   0.883   2.355
   34   1HB   ASN   5          1HB       ASN   5 -10.552   2.530   2.627
   35   2HB   ASN   5          2HB       ASN   5  -9.735   2.231   4.169
   36   1HD2  ASN   5          2HD2      ASN   5  -8.713   5.575   4.580
   37   2HD2  ASN   5          1HD2      ASN   5  -8.842   3.862   5.223
   38    H    VAL   6           H        VAL   6  -6.492   1.969   0.978
   39    HA   VAL   6           HA       VAL   6  -7.833   3.637  -1.238
   40    HB   VAL   6           HB       VAL   6  -4.885   2.954  -0.962
   41   1HG1  VAL   6          1HG1      VAL   6  -5.607   3.555  -3.273
   42   2HG1  VAL   6          2HG1      VAL   6  -6.346   5.061  -2.663
   43   3HG1  VAL   6          3HG1      VAL   6  -4.578   4.837  -2.580
   44   1HG2  VAL   6          1HG2      VAL   6  -6.418   5.520  -0.144
   45   2HG2  VAL   6          2HG2      VAL   6  -5.496   4.474   0.968
   46   3HG2  VAL   6          3HG2      VAL   6  -4.646   5.416  -0.272
   47    H    LYS   7           H        LYS   7  -8.048   2.773  -3.164
   48    HA   LYS   7           HA       LYS   7  -7.846  -0.280  -3.295
   49   1HB   LYS   7          1HB       LYS   7  -9.303   1.714  -5.129
   50   2HB   LYS   7          2HB       LYS   7  -9.225  -0.031  -5.398
   51   1HG   LYS   7          1HG       LYS   7 -10.293  -0.418  -3.130
   52   2HG   LYS   7          2HG       LYS   7 -10.456   1.334  -2.923
   53   1HD   LYS   7          1HD       LYS   7 -11.848   1.463  -5.017
   54   2HD   LYS   7          2HD       LYS   7 -11.616  -0.269  -5.288
   55   1HE   LYS   7          1HE       LYS   7 -13.812   0.055  -4.248
   56   2HE   LYS   7          2HE       LYS   7 -12.761  -0.763  -3.079
   57   1HZ   LYS   7          1HZ       LYS   7 -13.984   1.075  -2.097
   58   2HZ   LYS   7          2HZ       LYS   7 -13.352   2.148  -3.156
   59    H    CYS   8           H        CYS   8  -6.743  -1.246  -5.003
   60    HA   CYS   8           HA       CYS   8  -5.271   0.582  -6.951
   61   1HB   CYS   8          1HB       CYS   8  -3.029  -0.372  -6.269
   62   2HB   CYS   8          2HB       CYS   8  -3.838   0.421  -4.947
   63    H    SER   9           H        SER   9  -3.876  -0.573  -8.319
   64    HA   SER   9           HA       SER   9  -4.858  -3.390  -9.070
   65   1HB   SER   9          1HB       SER   9  -4.592  -0.822 -10.760
   66   2HB   SER   9          2HB       SER   9  -4.563  -2.436 -11.479
   67    HG   SER   9           HG       SER   9  -6.666  -1.529 -11.389
   68    H    GLY  10           H        GLY   1  -2.390  -1.503  -8.174
   69   1HA   GLY  10          1HA       GLY   1  -0.389  -3.439  -9.259
   70   2HA   GLY  10          2HA       GLY   1  -0.251  -1.837 -10.019
   71    H    SER  11           H        SER   1   1.358  -3.515  -8.080
   72    HA   SER  11           HA       SER   1   1.462  -2.127  -5.564
   73   1HB   SER  11          1HB       SER   1   3.548  -3.198  -5.132
   74   2HB   SER  11          2HB       SER   1   2.459  -4.316  -5.963
   75    HG   SER  11           HG       SER   1   4.568  -4.312  -6.854
   76    HA   PRO  12           HA       PRO   1   4.753   1.000  -6.723
   77   1HB   PRO  12          1HB       PRO   1   4.652   2.217  -9.293
   78   2HB   PRO  12          2HB       PRO   1   5.858   1.048  -8.698
   79   1HG   PRO  12          1HG       PRO   1   3.326   0.484 -10.303
   80   2HG   PRO  12          2HG       PRO   1   4.962  -0.187 -10.562
   81   1HD   PRO  12          1HD       PRO   1   3.107  -1.682  -9.267
   82   2HD   PRO  12          2HD       PRO   1   4.758  -1.614  -8.571
   83    H    GLN  13           H        GLN   1   1.463   1.105  -7.876
   84    HA   GLN  13           HA       GLN   1   1.246   4.077  -7.439
   85   1HB   GLN  13          1HB       GLN   1  -0.901   1.922  -7.935
   86   2HB   GLN  13          2HB       GLN   1  -1.223   3.657  -7.810
   87   1HG   GLN  13          1HG       GLN   1   0.357   4.079  -9.752
   88   2HG   GLN  13          2HG       GLN   1   0.595   2.331  -9.926
   89   1HE2  GLN  13          2HE2      GLN   1  -2.485   1.774 -11.560
   90   2HE2  GLN  13          1HE2      GLN   1  -0.950   1.093 -10.820
   91    H    CYS  14           H        CYS   1   1.067   1.141  -5.673
   92    HA   CYS  14           HA       CYS   1  -0.686   2.169  -3.433
   93   1HB   CYS  14          1HB       CYS   1   0.931  -0.339  -4.063
   94   2HB   CYS  14          2HB       CYS   1   0.671   0.064  -2.353
   95    H    LEU  15           H        LEU   1   2.625   1.694  -4.391
   96    HA   LEU  15           HA       LEU   1   4.085   1.880  -1.968
   97   1HB   LEU  15          1HB       LEU   1   5.003   1.142  -4.135
   98   2HB   LEU  15          2HB       LEU   1   4.760   2.728  -4.842
   99    HG   LEU  15           HG       LEU   1   6.476   3.707  -3.273
  100   1HD1  LEU  15          3HD1      LEU   1   6.862   0.766  -2.410
  101   2HD1  LEU  15          2HD1      LEU   1   7.962   2.112  -2.007
  102   3HD1  LEU  15          1HD1      LEU   1   6.301   2.100  -1.363
  103   1HD2  LEU  15          3HD2      LEU   1   7.082   2.870  -5.550
  104   2HD2  LEU  15          1HD2      LEU   1   8.416   2.607  -4.395
  105   3HD2  LEU  15          2HD2      LEU   1   7.377   1.242  -4.883
  106    H    LYS  16           H        LYS   1   3.624   4.375  -4.304
  107    HA   LYS  16           HA       LYS   1   4.794   6.538  -2.789
  108   1HB   LYS  16          1HB       LYS   1   4.642   6.786  -5.103
  109   2HB   LYS  16          2HB       LYS   1   2.901   6.623  -5.167
  110   1HG   LYS  16          1HG       LYS   1   2.620   8.779  -3.915
  111   2HG   LYS  16          2HG       LYS   1   4.375   8.890  -3.682
  112   1HD   LYS  16          1HD       LYS   1   4.685   8.890  -6.199
  113   2HD   LYS  16          2HD       LYS   1   2.930   8.874  -6.408
  114   1HE   LYS  16          1HE       LYS   1   4.507  11.062  -4.900
  115   2HE   LYS  16          2HE       LYS   1   3.940  11.195  -6.574
  116   1HZ   LYS  16          1HZ       LYS   1   1.676  10.937  -5.800
  117   2HZ   LYS  16          2HZ       LYS   1   2.390  12.216  -5.073
  118    HA   PRO  17           HA       PRO   1   1.027   8.084  -0.691
  119   1HB   PRO  17          1HB       PRO   1  -1.018   5.835  -0.757
  120   2HB   PRO  17          2HB       PRO   1  -1.322   7.593  -0.792
  121   1HG   PRO  17          1HG       PRO   1  -1.523   6.200  -3.107
  122   2HG   PRO  17          2HG       PRO   1  -0.615   7.740  -3.119
  123   1HD   PRO  17          1HD       PRO   1   0.524   4.908  -2.941
  124   2HD   PRO  17          2HD       PRO   1   1.028   6.252  -3.998
  125    H    CYS  18           H        CYS   1   1.584   4.612  -0.474
  126    HA   CYS  18           HA       CYS   1   1.076   4.612   2.438
  127   1HB   CYS  18          2HB       CYS   1   1.156   2.551   0.695
  128   2HB   CYS  18          1HB       CYS   1   2.786   2.388   1.389
  129    H    LYS  19           H        LYS   1   3.792   5.473   0.518
  130    HA   LYS  19           HA       LYS   1   5.732   5.067   2.793
  131   1HB   LYS  19          1HB       LYS   1   6.396   4.821   0.350
  132   2HB   LYS  19          2HB       LYS   1   6.079   6.542   0.105
  133   1HG   LYS  19          1HG       LYS   1   7.837   7.123   1.815
  134   2HG   LYS  19          2HG       LYS   1   8.093   5.402   2.146
  135   1HD   LYS  19          1HD       LYS   1   8.767   5.043  -0.259
  136   2HD   LYS  19          2HD       LYS   1   8.505   6.763  -0.590
  137   1HE   LYS  19          1HE       LYS   1  10.243   7.363   1.146
  138   2HE   LYS  19          2HE       LYS   1  10.505   5.640   1.478
  139   1HZ   LYS  19          1HZ       LYS   1  12.106   6.458  -0.100
  140   2HZ   LYS  19          2HZ       LYS   1  11.162   5.335  -0.821
  141    H    ASP  20           H        ASP   2   3.619   7.439   1.451
  142    HA   ASP  20           HA       ASP   2   4.838   9.627   3.102
  143   1HB   ASP  20          1HB       ASP   2   4.044  10.142   0.762
  144   2HB   ASP  20          2HB       ASP   2   2.402   9.670   1.231
  145    HD2  ASP  20           HD2      ASP   2   4.755  11.946   1.231
  146    H    ALA  21           H        ALA   2   2.571   7.406   3.158
  147    HA   ALA  21           HA       ALA   2   0.921   8.664   5.339
  148   1HB   ALA  21          1HB       ALA   2  -0.232   7.159   3.681
  149   2HB   ALA  21          3HB       ALA   2   0.687   5.772   4.337
  150   3HB   ALA  21          2HB       ALA   2  -0.487   6.631   5.364
  151    H    GLY  22           H        GLY   2   3.843   7.339   5.564
  152   1HA   GLY  22          1HA       GLY   2   4.941   6.910   7.705
  153   2HA   GLY  22          2HA       GLY   2   3.370   6.786   8.498
  154    H    MET  23           H        MET   2   4.574   5.154   5.603
  155    HA   MET  23           HA       MET   2   4.970   2.600   7.220
  156   1HB   MET  23          1HB       MET   2   2.712   3.219   5.373
  157   2HB   MET  23          2HB       MET   2   3.638   1.831   4.794
  158   1HG   MET  23          1HG       MET   2   2.317   2.135   7.560
  159   2HG   MET  23          2HG       MET   2   1.783   1.080   6.240
  160   1HE   MET  23          1HE       MET   2   3.957   1.829   9.086
  161   2HE   MET  23          2HE       MET   2   2.860   0.469   9.504
  162   3HE   MET  23          3HE       MET   2   4.647   0.251   9.537
  163    H    ARG  24           H        ARG   2   5.714   0.769   5.758
  164    HA   ARG  24           HA       ARG   2   8.153   1.992   4.438
  165   1HB   ARG  24          1HB       ARG   2   8.189   0.028   6.076
  166   2HB   ARG  24          2HB       ARG   2   7.709  -1.003   4.747
  167   1HG   ARG  24          1HG       ARG   2   9.692  -0.088   3.402
  168   2HG   ARG  24          2HG       ARG   2  10.121   0.928   4.782
  169   1HD   ARG  24          1HD       ARG   2  11.523  -1.037   4.868
  170   2HD   ARG  24          2HD       ARG   2  10.368  -1.157   6.215
  171   1HH1  ARG  24          1HH2      ARG   2  11.983  -4.456   6.112
  172   2HH1  ARG  24          2HH2      ARG   2  11.854  -2.628   6.199
  173   1HH2  ARG  24          1HH1      ARG   2  10.663  -5.575   4.837
  174   2HH2  ARG  24          2HH1      ARG   2   9.397  -4.711   3.828
  175    H    PHE  25           H        PHE   2   7.429  -0.680   2.996
  176    HA   PHE  25           HA       PHE   2   6.716   0.821   0.458
  177   1HB   PHE  25          1HB       PHE   2   6.748  -2.193   0.479
  178   2HB   PHE  25          2HB       PHE   2   7.081  -1.095  -0.845
  179    HD1  PHE  25           HD2      PHE   2   9.057   0.651  -0.220
  180    HD2  PHE  25           HD1      PHE   2   8.634  -3.216   1.341
  181    HE1  PHE  25           HE2      PHE   2  11.432   0.576   0.239
  182    HE2  PHE  25           HE1      PHE   2  11.009  -3.292   1.795
  183    HZ   PHE  25           HZ       PHE   2  12.408  -1.396   1.246
  184    H    GLY  26           H        GLY   2   5.162   0.018  -0.918
  185   1HA   GLY  26          1HA       GLY   2   2.509  -0.445   0.561
  186   2HA   GLY  26          2HA       GLY   2   2.609   0.584  -0.853
  187    H    LYS  27           H        LYS   2   2.225  -2.616   0.202
  188    HA   LYS  27           HA       LYS   2   2.984  -3.745  -2.577
  189   1HB   LYS  27          1HB       LYS   2   3.874  -4.891  -0.513
  190   2HB   LYS  27          2HB       LYS   2   2.220  -5.358  -0.101
  191   1HG   LYS  27          1HG       LYS   2   1.976  -6.519  -2.319
  192   2HG   LYS  27          2HG       LYS   2   3.608  -6.000  -2.772
  193   1HD   LYS  27          1HD       LYS   2   4.551  -7.246  -0.791
  194   2HD   LYS  27          2HD       LYS   2   2.919  -7.760  -0.335
  195   1HE   LYS  27          1HE       LYS   2   2.660  -8.921  -2.566
  196   2HE   LYS  27          2HE       LYS   2   4.296  -8.407  -3.023
  197   1HZ   LYS  27          1HZ       LYS   2   5.139  -9.601  -1.074
  198   2HZ   LYS  27          2HZ       LYS   2   3.631 -10.075  -0.654
  199    H    CYS  28           H        CYS   2   1.375  -3.588  -3.992
  200    HA   CYS  28           HA       CYS   2  -1.379  -3.402  -3.023
  201   1HB   CYS  28          1HB       CYS   2  -0.745  -2.322  -5.145
  202   2HB   CYS  28          2HB       CYS   2  -0.483  -3.915  -5.898
  203    H    MET  29           H        MET   2  -2.912  -4.820  -2.851
  204    HA   MET  29           HA       MET   2  -2.637  -7.574  -3.929
  205   1HB   MET  29          1HB       MET   2  -1.070  -7.582  -1.907
  206   2HB   MET  29          2HB       MET   2  -2.444  -7.179  -0.873
  207   1HG   MET  29          1HG       MET   2  -2.002  -9.629  -0.826
  208   2HG   MET  29          2HG       MET   2  -3.595  -9.330  -1.543
  209   1HE   MET  29          3HE       MET   2  -3.600 -11.743  -2.570
  210   2HE   MET  29          1HE       MET   2  -2.273 -12.419  -3.564
  211   3HE   MET  29          2HE       MET   2  -1.996 -12.049  -1.834
  212    H    ASN  30           H        ASN   3  -4.532  -8.449  -4.136
  213    HA   ASN  30           HA       ASN   3  -6.901  -8.646  -4.175
  214   1HB   ASN  30          1HB       ASN   3  -6.597  -7.754  -1.250
  215   2HB   ASN  30          2HB       ASN   3  -8.025  -8.540  -1.946
  216   1HD2  ASN  30          2HD2      ASN   3  -5.639 -11.066  -0.369
  217   2HD2  ASN  30          1HD2      ASN   3  -6.330  -9.456   0.174
  218    H    ARG  31           H        ARG   3  -6.000  -6.301  -5.197
  219    HA   ARG  31           HA       ARG   3  -6.731  -4.195  -5.869
  220   1HB   ARG  31          1HB       ARG   3  -8.855  -5.675  -6.097
  221   2HB   ARG  31          2HB       ARG   3  -9.474  -4.800  -4.692
  222   1HG   ARG  31          1HG       ARG   3  -9.023  -2.597  -5.945
  223   2HG   ARG  31          2HG       ARG   3  -8.512  -3.539  -7.346
  224   1HD   ARG  31          1HD       ARG   3 -11.285  -3.732  -6.013
  225   2HD   ARG  31          2HD       ARG   3 -10.915  -2.751  -7.450
  226   1HH1  ARG  31          2HH2      ARG   3 -12.866  -3.520  -7.369
  227   2HH1  ARG  31          1HH2      ARG   3 -13.949  -4.594  -8.389
  228   1HH2  ARG  31          1HH1      ARG   3 -11.354  -6.733  -9.210
  229   2HH2  ARG  31          2HH1      ARG   3 -13.135  -6.323  -9.380
  230    H    LYS  32           H        LYS   3  -5.523  -4.414  -3.212
  231    HA   LYS  32           HA       LYS   3  -6.264  -1.606  -2.376
  232   1HB   LYS  32          1HB       LYS   3  -7.350  -4.034  -1.165
  233   2HB   LYS  32          2HB       LYS   3  -6.268  -3.270   0.007
  234   1HG   LYS  32          1HG       LYS   3  -7.510  -1.102  -0.219
  235   2HG   LYS  32          2HG       LYS   3  -8.544  -1.801  -1.472
  236   1HD   LYS  32          1HD       LYS   3  -9.279  -3.594   0.195
  237   2HD   LYS  32          2HD       LYS   3  -8.354  -2.753   1.449
  238   1HE   LYS  32          1HE       LYS   3  -9.720  -0.653   1.014
  239   2HE   LYS  32          2HE       LYS   3 -10.652  -1.529  -0.214
  240   1HZ   LYS  32          1HZ       LYS   3 -11.345  -3.096   1.481
  241   2HZ   LYS  32          2HZ       LYS   3 -11.771  -1.575   1.900
  242    H    CYS  33           H        CYS   3  -4.450  -0.610  -1.441
  243    HA   CYS  33           HA       CYS   3  -2.028  -2.028  -1.351
  244   1HB   CYS  33          2HB       CYS   3  -2.744   0.467   0.235
  245   2HB   CYS  33          1HB       CYS   3  -1.116   0.011  -0.304
  246    H    HIS  34           H        HIS   3  -1.236  -3.304  -0.112
  247    HA   HIS  34           HA       HIS   3  -2.030  -3.524   2.849
  248   1HB   HIS  34          1HB       HIS   3  -1.117  -5.760   0.924
  249   2HB   HIS  34          2HB       HIS   3  -0.920  -5.873   2.676
  250    HD2  HIS  34           HD2      HIS   3  -3.753  -5.419   0.054
  251    HE1  HIS  34           HE1      HIS   3  -5.450  -7.272   3.349
  252    HE2  HIS  34           HE2      HIS   3  -5.997  -6.525   0.959
  253    H    CYS  35           H        CYS   3  -0.407  -2.265   3.634
  254    HA   CYS  35           HA       CYS   3   2.121  -2.048   2.054
  255   1HB   CYS  35          2HB       CYS   3   1.586  -0.847   4.808
  256   2HB   CYS  35          1HB       CYS   3   2.769  -0.348   3.569
  257    H    THR  36           H        THR   3   4.024  -1.816   4.007
  258    HA   THR  36           HA       THR   3   4.224  -4.705   5.111
  259    HB   THR  36           HB       THR   3   6.358  -2.971   3.813
  260    HG1  THR  36           HG1      THR   3   4.816  -5.170   2.901
  261   1HG2  THR  36          3HG2      THR   3   6.242  -5.942   4.673
  262   2HG2  THR  36          1HG2      THR   3   7.566  -5.199   3.740
  263   3HG2  THR  36          2HG2      THR   3   7.268  -4.687   5.418
  264    HA   PRO  37           HA       PRO   3   5.212  -1.682   8.530
  265   1HB   PRO  37          1HB       PRO   3   5.298  -4.284  10.129
  266   2HB   PRO  37          2HB       PRO   3   4.682  -2.698  10.670
  267   1HG   PRO  37          1HG       PRO   3   2.891  -4.544   9.832
  268   2HG   PRO  37          2HG       PRO   3   2.737  -2.876   9.210
  269   1HD   PRO  37          1HD       PRO   3   3.941  -5.297   7.780
  270   2HD   PRO  37          2HD       PRO   3   2.865  -4.017   7.134
  271    H    LYS  38           H        LYS   3   6.965  -0.906   9.269
  272    HA   LYS  38           HA       LYS   3   9.525  -2.021   8.472
  273   1HB   LYS  38          1HB       LYS   3   8.932   0.039  10.691
  274   2HB   LYS  38          2HB       LYS   3  10.532  -0.288  10.020
  275   1HG   LYS  38          1HG       LYS   3   9.702   0.392   7.726
  276   2HG   LYS  38          2HG       LYS   3   8.123   0.793   8.420
  277   1HD   LYS  38          1HD       LYS   3   9.226   2.435   9.982
  278   2HD   LYS  38          2HD       LYS   3  10.804   2.039   9.283
  279   1HE   LYS  38          1HE       LYS   3   9.986   2.783   7.010
  280   2HE   LYS  38          2HE       LYS   3   8.404   3.179   7.710
  281   1HZ   LYS  38          1HZ       LYS   3   9.535   4.731   9.209
  282   2HZ   LYS  38          2HZ       LYS   3  10.992   4.366   8.563
  283    HXT  LYS  38           HO       OH    3   8.643  -3.345  12.181
   
  No H/Q in entry =         283
  Start of MODEL   16
    1   1H    GLY   1          1H        GLY   1  -0.831  -8.303   7.764
    2   2H    GLY   1          2H        GLY   1  -0.443  -6.876   7.067
    3   1HA   GLY   1          1HA       GLY   1  -2.783  -7.361   6.742
    4   2HA   GLY   1          2HA       GLY   1  -2.978  -7.464   8.505
    5    H    VAL   2           H        VAL   2  -0.739  -5.217   7.070
    6    HA   VAL   2           HA       VAL   2  -2.339  -2.954   8.300
    7    HB   VAL   2           HB       VAL   2  -0.338  -1.566   7.557
    8   1HG1  VAL   2          1HG2      VAL   2  -0.724  -2.425   9.887
    9   2HG1  VAL   2          2HG2      VAL   2   0.150  -3.927   9.482
   10   3HG1  VAL   2          3HG2      VAL   2   1.014  -2.366   9.500
   11   1HG2  VAL   2          3HG1      VAL   2   0.554  -3.285   5.834
   12   2HG2  VAL   2          2HG1      VAL   2   1.764  -2.676   6.983
   13   3HG2  VAL   2          1HG1      VAL   2   1.097  -4.288   7.216
   14    H    GLU   3           H        GLU   3  -3.491  -1.588   7.143
   15    HA   GLU   3           HA       GLU   3  -3.002  -1.318   4.220
   16   1HB   GLU   3          1HB       GLU   3  -5.265  -2.176   3.525
   17   2HB   GLU   3          2HB       GLU   3  -4.215  -3.445   4.158
   18   1HG   GLU   3          1HG       GLU   3  -5.449  -3.423   6.342
   19   2HG   GLU   3          2HG       GLU   3  -6.418  -2.036   5.812
   20    HE1  GLU   3           HE2      GLU   3  -8.378  -3.806   3.575
   21    H    ILE   4           H        ILE   4  -3.832   0.387   3.331
   22    HA   ILE   4           HA       ILE   4  -5.281   2.318   5.195
   23    HB   ILE   4           HB       ILE   4  -4.684   4.048   3.534
   24   1HG1  ILE   4          1HG1      ILE   4  -2.956   1.883   2.168
   25   2HG1  ILE   4          2HG1      ILE   4  -4.472   2.502   1.504
   26   1HG2  ILE   4          1HG2      ILE   4  -3.309   3.415   5.574
   27   2HG2  ILE   4          2HG2      ILE   4  -2.296   2.374   4.543
   28   3HG2  ILE   4          3HG2      ILE   4  -2.320   4.139   4.288
   29   1HD1  ILE   4          3HD1      ILE   4  -3.503   4.845   1.505
   30   2HD1  ILE   4          2HD1      ILE   4  -1.939   4.161   2.032
   31   3HD1  ILE   4          1HD1      ILE   4  -2.629   3.695   0.458
   32    H    ASN   5           H        ASN   5  -6.885   3.721   4.053
   33    HA   ASN   5           HA       ASN   5  -8.848   1.858   2.684
   34   1HB   ASN   5          1HB       ASN   5  -9.162   4.748   3.674
   35   2HB   ASN   5          2HB       ASN   5 -10.469   3.705   3.086
   36   1HD2  ASN   5          2HD2      ASN   5 -10.649   1.747   6.058
   37   2HD2  ASN   5          1HD2      ASN   5 -11.073   1.896   4.279
   38    H    VAL   6           H        VAL   6  -7.122   2.045   0.836
   39    HA   VAL   6           HA       VAL   6  -8.304   4.019  -1.168
   40    HB   VAL   6           HB       VAL   6  -5.302   3.474  -1.104
   41   1HG1  VAL   6          2HG1      VAL   6  -6.255   4.176  -3.299
   42   2HG1  VAL   6          3HG1      VAL   6  -6.976   5.620  -2.540
   43   3HG1  VAL   6          1HG1      VAL   6  -5.204   5.454  -2.643
   44   1HG2  VAL   6          3HG2      VAL   6  -5.751   4.884   0.937
   45   2HG2  VAL   6          1HG2      VAL   6  -4.871   5.808  -0.310
   46   3HG2  VAL   6          2HG2      VAL   6  -6.621   6.068  -0.075
   47    H    LYS   7           H        LYS   7  -8.610   3.057  -3.007
   48    HA   LYS   7           HA       LYS   7  -7.973   0.102  -3.138
   49   1HB   LYS   7          1HB       LYS   7  -9.457  -0.014  -5.084
   50   2HB   LYS   7          2HB       LYS   7 -10.257   0.653  -3.665
   51   1HG   LYS   7          1HG       LYS   7  -9.980   2.996  -4.611
   52   2HG   LYS   7          2HG       LYS   7  -9.213   2.302  -6.050
   53   1HD   LYS   7          1HD       LYS   7 -11.270   0.923  -6.486
   54   2HD   LYS   7          2HD       LYS   7 -12.038   1.613  -5.047
   55   1HE   LYS   7          1HE       LYS   7 -11.812   3.930  -6.035
   56   2HE   LYS   7          2HE       LYS   7 -11.043   3.238  -7.477
   57   1HZ   LYS   7          1HZ       LYS   7 -13.418   3.574  -7.772
   58   2HZ   LYS   7          2HZ       LYS   7 -13.778   2.615  -6.499
   59    H    CYS   8           H        CYS   8  -6.253  -0.607  -4.039
   60    HA   CYS   8           HA       CYS   8  -4.641   1.256  -5.818
   61   1HB   CYS   8          1HB       CYS   8  -2.905  -0.547  -5.800
   62   2HB   CYS   8          2HB       CYS   8  -3.283   0.151  -4.226
   63    H    SER   9           H        SER   9  -3.887   0.814  -7.650
   64    HA   SER   9           HA       SER   9  -5.653  -0.964  -9.423
   65   1HB   SER   9          1HB       SER   9  -5.446   1.452 -10.101
   66   2HB   SER   9          2HB       SER   9  -3.679   1.293 -10.155
   67    HG   SER   9           HG       SER   9  -4.658   1.007 -12.187
   68    H    GLY  10           H        GLY   1  -2.622  -0.415  -7.992
   69   1HA   GLY  10          1HA       GLY   1  -1.601  -3.085  -8.725
   70   2HA   GLY  10          2HA       GLY   1  -0.817  -1.827  -9.728
   71    H    SER  11           H        SER   1   0.709  -3.263  -8.080
   72    HA   SER  11           HA       SER   1   1.051  -2.168  -5.423
   73   1HB   SER  11          1HB       SER   1   3.111  -3.283  -5.279
   74   2HB   SER  11          2HB       SER   1   1.962  -4.296  -6.160
   75    HG   SER  11           HG       SER   1   2.905  -3.520  -8.119
   76    HA   PRO  12           HA       PRO   1   4.064   1.164  -6.505
   77   1HB   PRO  12          1HB       PRO   1   3.883   2.559  -8.969
   78   2HB   PRO  12          2HB       PRO   1   5.112   1.349  -8.517
   79   1HG   PRO  12          1HG       PRO   1   2.517   0.898 -10.061
   80   2HG   PRO  12          2HG       PRO   1   4.149   0.281 -10.454
   81   1HD   PRO  12          1HD       PRO   1   2.384  -1.359  -9.202
   82   2HD   PRO  12          2HD       PRO   1   4.065  -1.310  -8.581
   83    H    GLN  13           H        GLN   1   0.736   1.166  -7.516
   84    HA   GLN  13           HA       GLN   1   0.375   4.099  -6.925
   85   1HB   GLN  13          1HB       GLN   1  -1.694   1.853  -7.358
   86   2HB   GLN  13          2HB       GLN   1  -2.078   3.569  -7.230
   87   1HG   GLN  13          1HG       GLN   1  -0.339   2.303  -9.451
   88   2HG   GLN  13          2HG       GLN   1  -2.030   2.780  -9.603
   89   1HE2  GLN  13          2HE2      GLN   1   0.237   5.538 -10.846
   90   2HE2  GLN  13          1HE2      GLN   1   0.108   3.733 -11.146
   91    H    CYS  14           H        CYS   1   0.480   1.113  -5.271
   92    HA   CYS  14           HA       CYS   1  -1.251   1.925  -2.928
   93   1HB   CYS  14          2HB       CYS   1  -0.931  -0.469  -3.583
   94   2HB   CYS  14          1HB       CYS   1   0.795  -0.381  -3.434
   95    H    LEU  15           H        LEU   1   1.975   1.497  -4.023
   96    HA   LEU  15           HA       LEU   1   3.593   1.965  -1.747
   97   1HB   LEU  15          1HB       LEU   1   4.354   1.024  -3.935
   98   2HB   LEU  15          2HB       LEU   1   4.124   2.581  -4.712
   99    HG   LEU  15           HG       LEU   1   5.944   3.580  -3.253
  100   1HD1  LEU  15          2HD1      LEU   1   6.322   0.645  -2.359
  101   2HD1  LEU  15          3HD1      LEU   1   7.446   1.988  -2.019
  102   3HD1  LEU  15          1HD1      LEU   1   5.815   1.990  -1.301
  103   1HD2  LEU  15          3HD2      LEU   1   6.394   2.673  -5.538
  104   2HD2  LEU  15          1HD2      LEU   1   7.783   2.401  -4.452
  105   3HD2  LEU  15          2HD2      LEU   1   6.683   1.053  -4.848
  106    H    LYS  16           H        LYS   1   2.801   4.227  -4.244
  107    HA   LYS  16           HA       LYS   1   4.160   6.516  -3.155
  108   1HB   LYS  16          1HB       LYS   1   1.743   6.522  -4.999
  109   2HB   LYS  16          2HB       LYS   1   2.663   7.962  -4.548
  110   1HG   LYS  16          1HG       LYS   1   4.784   6.877  -5.400
  111   2HG   LYS  16          2HG       LYS   1   3.847   5.473  -5.933
  112   1HD   LYS  16          1HD       LYS   1   2.432   6.968  -7.392
  113   2HD   LYS  16          2HD       LYS   1   3.374   8.371  -6.864
  114   1HE   LYS  16          1HE       LYS   1   5.477   7.306  -7.778
  115   2HE   LYS  16          2HE       LYS   1   4.533   5.899  -8.307
  116   1HZ   LYS  16          1HZ       LYS   1   4.124   8.703  -9.203
  117   2HZ   LYS  16          2HZ       LYS   1   4.839   7.519 -10.075
  118    HA   PRO  17           HA       PRO   1   0.921   8.254  -0.402
  119   1HB   PRO  17          1HB       PRO   1  -1.519   7.146   0.190
  120   2HB   PRO  17          2HB       PRO   1  -1.242   8.065  -1.315
  121   1HG   PRO  17          1HG       PRO   1  -1.120   5.020  -0.963
  122   2HG   PRO  17          2HG       PRO   1  -2.091   5.933  -2.157
  123   1HD   PRO  17          1HD       PRO   1   0.375   4.942  -2.876
  124   2HD   PRO  17          2HD       PRO   1  -0.111   6.568  -3.404
  125    H    CYS  18           H        CYS   1   1.218   4.749  -0.277
  126    HA   CYS  18           HA       CYS   1   0.888   4.700   2.659
  127   1HB   CYS  18          1HB       CYS   1   0.683   2.723   0.906
  128   2HB   CYS  18          2HB       CYS   1   2.423   2.510   1.203
  129    H    LYS  19           H        LYS   1   3.536   5.339   0.539
  130    HA   LYS  19           HA       LYS   1   5.572   4.921   2.726
  131   1HB   LYS  19          1HB       LYS   1   6.027   4.351   0.296
  132   2HB   LYS  19          2HB       LYS   1   5.882   6.061  -0.124
  133   1HG   LYS  19          1HG       LYS   1   7.815   6.613   1.387
  134   2HG   LYS  19          2HG       LYS   1   7.900   4.922   1.910
  135   1HD   LYS  19          1HD       LYS   1   8.386   4.209  -0.457
  136   2HD   LYS  19          2HD       LYS   1   8.201   5.879  -1.008
  137   1HE   LYS  19          1HE       LYS   1  10.597   5.409  -0.768
  138   2HE   LYS  19          2HE       LYS   1  10.132   6.580   0.479
  139   1HZ   LYS  19          1HZ       LYS   1  11.489   4.783   1.356
  140   2HZ   LYS  19          2HZ       LYS   1  10.422   3.647   0.861
  141    H    ASP  20           H        ASP   2   3.491   7.293   1.500
  142    HA   ASP  20           HA       ASP   2   5.107   9.571   2.588
  143   1HB   ASP  20          1HB       ASP   2   3.826   9.913   0.438
  144   2HB   ASP  20          2HB       ASP   2   2.319   9.539   1.293
  145    HD2  ASP  20           HD2      ASP   2   1.568  11.409   0.806
  146    H    ALA  21           H        ALA   2   2.694   7.571   3.139
  147    HA   ALA  21           HA       ALA   2   1.362   8.885   5.454
  148   1HB   ALA  21          1HB       ALA   2   1.527   5.858   4.825
  149   2HB   ALA  21          3HB       ALA   2   0.408   6.604   5.998
  150   3HB   ALA  21          2HB       ALA   2   0.245   6.959   4.258
  151    H    GLY  22           H        GLY   2   3.757   6.320   5.142
  152   1HA   GLY  22          1HA       GLY   2   5.784   7.082   6.847
  153   2HA   GLY  22          2HA       GLY   2   4.558   6.699   8.062
  154    H    MET  23           H        MET   2   4.146   4.718   5.386
  155    HA   MET  23           HA       MET   2   5.251   2.406   7.017
  156   1HB   MET  23          1HB       MET   2   3.553   2.351   4.462
  157   2HB   MET  23          2HB       MET   2   4.030   0.963   5.415
  158   1HG   MET  23          1HG       MET   2   3.027   2.590   7.441
  159   2HG   MET  23          2HG       MET   2   2.036   3.152   6.082
  160   1HE   MET  23          2HE       MET   2   3.258   0.563   8.419
  161   2HE   MET  23          3HE       MET   2   2.187  -0.865   8.271
  162   3HE   MET  23          1HE       MET   2   3.511  -0.606   7.092
  163    H    ARG  24           H        ARG   2   6.072   0.577   5.468
  164    HA   ARG  24           HA       ARG   2   8.548   1.805   4.201
  165   1HB   ARG  24          1HB       ARG   2   8.584   0.048   6.060
  166   2HB   ARG  24          2HB       ARG   2   8.085  -1.135   4.878
  167   1HG   ARG  24          1HG       ARG   2  10.433  -1.331   4.927
  168   2HG   ARG  24          2HG       ARG   2  10.179  -0.361   3.476
  169   1HD   ARG  24          1HD       ARG   2  10.732   1.718   4.755
  170   2HD   ARG  24          2HD       ARG   2  10.844   0.837   6.260
  171   1HH1  ARG  24          1HH2      ARG   2  11.770  -0.867   6.847
  172   2HH1  ARG  24          2HH2      ARG   2  13.422  -1.642   7.041
  173   1HH2  ARG  24          2HH1      ARG   2  14.737  -0.002   4.308
  174   2HH2  ARG  24          1HH1      ARG   2  15.001  -1.181   5.690
  175    H    PHE  25           H        PHE   2   8.041  -1.042   3.012
  176    HA   PHE  25           HA       PHE   2   7.425   0.097   0.325
  177   1HB   PHE  25          1HB       PHE   2   7.300  -2.896   0.755
  178   2HB   PHE  25          2HB       PHE   2   7.844  -2.007  -0.661
  179    HD1  PHE  25           HD1      PHE   2   9.904  -0.445  -0.254
  180    HD2  PHE  25           HD2      PHE   2   8.909  -3.670   2.232
  181    HE1  PHE  25           HE1      PHE   2  12.186  -0.530   0.548
  182    HE2  PHE  25           HE2      PHE   2  11.191  -3.755   3.034
  183    HZ   PHE  25           HZ       PHE   2  12.829  -2.186   2.192
  184    H    GLY  26           H        GLY   2   5.957  -0.900  -1.108
  185   1HA   GLY  26          1HA       GLY   2   3.140  -1.051   0.163
  186   2HA   GLY  26          2HA       GLY   2   3.463  -0.255  -1.364
  187    H    LYS  27           H        LYS   2   1.897  -2.537  -0.407
  188    HA   LYS  27           HA       LYS   2   2.514  -4.325  -2.838
  189   1HB   LYS  27          1HB       LYS   2   1.870  -5.220   0.043
  190   2HB   LYS  27          2HB       LYS   2   1.704  -6.282  -1.356
  191   1HG   LYS  27          1HG       LYS   2   4.137  -5.987  -1.907
  192   2HG   LYS  27          2HG       LYS   2   4.328  -4.925  -0.503
  193   1HD   LYS  27          1HD       LYS   2   3.560  -6.792   1.014
  194   2HD   LYS  27          2HD       LYS   2   3.366  -7.854  -0.390
  195   1HE   LYS  27          1HE       LYS   2   5.820  -7.583  -0.936
  196   2HE   LYS  27          2HE       LYS   2   6.014  -6.520   0.472
  197   1HZ   LYS  27          1HZ       LYS   2   5.294  -8.330   1.892
  198   2HZ   LYS  27          2HZ       LYS   2   6.601  -8.775   1.017
  199    H    CYS  28           H        CYS   2   0.848  -4.447  -4.086
  200    HA   CYS  28           HA       CYS   2  -1.801  -3.517  -3.064
  201   1HB   CYS  28          1HB       CYS   2  -1.093  -2.757  -5.230
  202   2HB   CYS  28          2HB       CYS   2  -1.043  -4.417  -5.878
  203    H    MET  29           H        MET   2  -3.545  -4.768  -2.768
  204    HA   MET  29           HA       MET   2  -3.482  -7.701  -3.545
  205   1HB   MET  29          1HB       MET   2  -3.674  -6.720  -0.626
  206   2HB   MET  29          2HB       MET   2  -4.302  -8.285  -1.139
  207   1HG   MET  29          1HG       MET   2  -1.359  -7.417  -1.405
  208   2HG   MET  29          2HG       MET   2  -2.014  -8.515  -0.170
  209   1HE   MET  29          1HE       MET   2  -0.258 -10.345  -0.850
  210   2HE   MET  29          2HE       MET   2  -0.009 -10.929  -2.524
  211   3HE   MET  29          3HE       MET   2   0.403  -9.240  -2.095
  212    H    ASN  30           H        ASN   3  -5.221  -8.126  -4.392
  213    HA   ASN  30           HA       ASN   3  -7.418  -7.963  -5.178
  214   1HB   ASN  30          1HB       ASN   3  -9.137  -8.515  -3.609
  215   2HB   ASN  30          2HB       ASN   3  -7.670  -9.391  -3.192
  216   1HD2  ASN  30          2HD2      ASN   3  -7.442  -8.029   0.057
  217   2HD2  ASN  30          1HD2      ASN   3  -6.689  -9.046  -1.271
  218    H    ARG  31           H        ARG   3  -6.339  -5.586  -5.407
  219    HA   ARG  31           HA       ARG   3  -6.933  -3.358  -5.898
  220   1HB   ARG  31          1HB       ARG   3  -9.831  -4.285  -5.502
  221   2HB   ARG  31          2HB       ARG   3  -9.332  -2.692  -6.058
  222   1HG   ARG  31          1HG       ARG   3  -9.585  -3.601  -8.128
  223   2HG   ARG  31          2HG       ARG   3  -7.901  -4.044  -7.871
  224   1HD   ARG  31          1HD       ARG   3  -9.053  -5.986  -8.752
  225   2HD   ARG  31          2HD       ARG   3  -8.715  -6.340  -7.043
  226   1HH1  ARG  31          2HH1      ARG   3  -9.527  -7.934  -8.128
  227   2HH1  ARG  31          1HH1      ARG   3 -11.004  -9.021  -8.070
  228   1HH2  ARG  31          2HH2      ARG   3 -13.100  -6.424  -7.151
  229   2HH2  ARG  31          1HH2      ARG   3 -12.927  -8.208  -7.544
  230    H    LYS  32           H        LYS   3  -6.167  -4.082  -3.290
  231    HA   LYS  32           HA       LYS   3  -7.245  -1.604  -1.866
  232   1HB   LYS  32          1HB       LYS   3  -7.051  -4.446  -0.687
  233   2HB   LYS  32          2HB       LYS   3  -7.115  -2.989   0.302
  234   1HG   LYS  32          1HG       LYS   3  -9.335  -2.368  -0.697
  235   2HG   LYS  32          2HG       LYS   3  -9.295  -3.828  -1.699
  236   1HD   LYS  32          1HD       LYS   3  -9.165  -5.252   0.383
  237   2HD   LYS  32          2HD       LYS   3  -9.204  -3.792   1.385
  238   1HE   LYS  32          1HE       LYS   3 -11.450  -3.176   0.401
  239   2HE   LYS  32          2HE       LYS   3 -11.411  -4.639  -0.603
  240   1HZ   LYS  32          1HZ       LYS   3 -11.289  -4.604   2.367
  241   2HZ   LYS  32          2HZ       LYS   3 -11.253  -5.952   1.443
  242    H    CYS  33           H        CYS   3  -5.447  -0.423  -1.316
  243    HA   CYS  33           HA       CYS   3  -2.847  -1.543  -1.577
  244   1HB   CYS  33          2HB       CYS   3  -3.518   0.862  -1.652
  245   2HB   CYS  33          1HB       CYS   3  -3.897   0.846   0.072
  246    H    HIS  34           H        HIS   3  -1.456  -2.309  -0.254
  247    HA   HIS  34           HA       HIS   3  -2.109  -2.728   2.701
  248   1HB   HIS  34          1HB       HIS   3  -1.611  -4.932   0.617
  249   2HB   HIS  34          2HB       HIS   3  -0.954  -5.116   2.245
  250    HD2  HIS  34           HD2      HIS   3  -4.496  -4.214   0.736
  251    HE1  HIS  34           HE1      HIS   3  -5.098  -6.630   4.048
  252    HE2  HIS  34           HE2      HIS   3  -6.360  -5.426   2.170
  253    H    CYS  35           H        CYS   3   0.025  -3.047   3.769
  254    HA   CYS  35           HA       CYS   3   2.409  -2.432   1.932
  255   1HB   CYS  35          2HB       CYS   3   2.163  -0.734   4.454
  256   2HB   CYS  35          1HB       CYS   3   2.951  -0.404   2.888
  257    H    THR  36           H        THR   3   4.240  -1.941   3.841
  258    HA   THR  36           HA       THR   3   4.155  -4.465   5.598
  259    HB   THR  36           HB       THR   3   6.463  -3.336   3.952
  260    HG1  THR  36           HG1      THR   3   6.050  -5.224   2.760
  261   1HG2  THR  36          3HG2      THR   3   6.162  -5.926   5.615
  262   2HG2  THR  36          1HG2      THR   3   7.534  -5.551   4.541
  263   3HG2  THR  36          2HG2      THR   3   7.254  -4.567   5.997
  264    HA   PRO  37           HA       PRO   3   5.451  -0.801   8.241
  265   1HB   PRO  37          1HB       PRO   3   6.179  -2.908  10.301
  266   2HB   PRO  37          2HB       PRO   3   5.218  -1.419  10.539
  267   1HG   PRO  37          1HG       PRO   3   3.937  -3.800  10.428
  268   2HG   PRO  37          2HG       PRO   3   3.278  -2.418   9.509
  269   1HD   PRO  37          1HD       PRO   3   4.995  -4.718   8.430
  270   2HD   PRO  37          2HD       PRO   3   3.495  -4.014   7.741
  271    H    LYS  38           H        LYS   3   7.334   0.101   9.077
  272    HA   LYS  38           HA       LYS   3   9.753  -0.914   7.748
  273   1HB   LYS  38          1HB       LYS   3  10.956   0.943   8.838
  274   2HB   LYS  38          2HB       LYS   3   9.450   1.503   8.115
  275   1HG   LYS  38          1HG       LYS   3   8.342   1.475  10.392
  276   2HG   LYS  38          2HG       LYS   3   9.858   0.919  11.121
  277   1HD   LYS  38          1HD       LYS   3  11.035   2.951  10.182
  278   2HD   LYS  38          2HD       LYS   3   9.493   3.542   9.551
  279   1HE   LYS  38          1HE       LYS   3  10.068   2.946  12.528
  280   2HE   LYS  38          2HE       LYS   3  10.122   4.557  11.790
  281   1HZ   LYS  38          1HZ       LYS   3   7.742   2.786  11.904
  282   2HZ   LYS  38          2HZ       LYS   3   7.998   4.104  12.838
  283    HXT  LYS  38           HO       OH    3  11.761  -2.092  10.391
   
  No H/Q in entry =         283
  Start of MODEL   17
    1   1H    GLY   1          1H        GLY   1  -0.486  -6.783   8.477
    2   2H    GLY   1          2H        GLY   1  -0.211  -6.584   6.878
    3   1HA   GLY   1          1HA       GLY   1  -2.494  -7.239   6.332
    4   2HA   GLY   1          2HA       GLY   1  -2.793  -7.455   8.070
    5    H    VAL   2           H        VAL   2  -0.560  -5.010   7.126
    6    HA   VAL   2           HA       VAL   2  -2.467  -2.925   8.221
    7    HB   VAL   2           HB       VAL   2   0.439  -2.680   7.230
    8   1HG1  VAL   2          2HG1      VAL   2  -1.358  -0.737   8.818
    9   2HG1  VAL   2          1HG1      VAL   2   0.386  -0.511   8.519
   10   3HG1  VAL   2          3HG1      VAL   2  -0.756  -0.485   7.155
   11   1HG2  VAL   2          1HG2      VAL   2  -0.744  -2.960  10.068
   12   2HG2  VAL   2          2HG2      VAL   2   0.394  -4.089   9.280
   13   3HG2  VAL   2          3HG2      VAL   2   0.930  -2.458   9.727
   14    H    GLU   3           H        GLU   3  -3.532  -1.551   6.922
   15    HA   GLU   3           HA       GLU   3  -2.640  -1.193   4.081
   16   1HB   GLU   3          1HB       GLU   3  -4.749  -1.991   3.065
   17   2HB   GLU   3          2HB       GLU   3  -3.915  -3.301   3.899
   18   1HG   GLU   3          1HG       GLU   3  -5.486  -3.069   5.869
   19   2HG   GLU   3          2HG       GLU   3  -6.316  -1.728   5.062
   20    HE1  GLU   3           HE2      GLU   3  -7.735  -3.701   2.544
   21    H    ILE   4           H        ILE   4  -3.300   0.588   3.165
   22    HA   ILE   4           HA       ILE   4  -4.726   2.531   5.015
   23    HB   ILE   4           HB       ILE   4  -4.050   4.253   3.352
   24   1HG1  ILE   4          1HG1      ILE   4  -2.321   2.046   2.066
   25   2HG1  ILE   4          2HG1      ILE   4  -3.834   2.624   1.358
   26   1HG2  ILE   4          3HG2      ILE   4  -2.755   3.596   5.430
   27   2HG2  ILE   4          1HG2      ILE   4  -1.764   2.492   4.443
   28   3HG2  ILE   4          2HG2      ILE   4  -1.700   4.252   4.159
   29   1HD1  ILE   4          3HD1      ILE   4  -2.899   4.986   1.327
   30   2HD1  ILE   4          1HD1      ILE   4  -1.341   4.352   1.925
   31   3HD1  ILE   4          2HD1      ILE   4  -1.959   3.839   0.338
   32    H    ASN   5           H        ASN   5  -6.220   4.060   3.826
   33    HA   ASN   5           HA       ASN   5  -8.311   2.305   2.531
   34   1HB   ASN   5          1HB       ASN   5  -8.395   5.264   3.350
   35   2HB   ASN   5          2HB       ASN   5  -9.782   4.295   2.824
   36   1HD2  ASN   5          2HD2      ASN   5  -9.434   4.310   6.619
   37   2HD2  ASN   5          1HD2      ASN   5  -9.395   5.611   5.327
   38    H    VAL   6           H        VAL   6  -6.658   2.207   0.659
   39    HA   VAL   6           HA       VAL   6  -7.664   4.164  -1.447
   40    HB   VAL   6           HB       VAL   6  -4.731   3.319  -1.372
   41   1HG1  VAL   6          2HG1      VAL   6  -5.633   3.909  -3.619
   42   2HG1  VAL   6          3HG1      VAL   6  -6.209   5.477  -2.992
   43   3HG1  VAL   6          1HG1      VAL   6  -4.461   5.138  -3.083
   44   1HG2  VAL   6          3HG2      VAL   6  -5.025   4.947   0.537
   45   2HG2  VAL   6          2HG2      VAL   6  -4.070   5.666  -0.789
   46   3HG2  VAL   6          1HG2      VAL   6  -5.785   6.113  -0.580
   47    H    LYS   7           H        LYS   7  -8.106   3.106  -3.199
   48    HA   LYS   7           HA       LYS   7  -7.780   0.079  -3.115
   49   1HB   LYS   7          1HB       LYS   7  -9.405   1.875  -5.014
   50   2HB   LYS   7          2HB       LYS   7  -9.315   0.113  -5.125
   51   1HG   LYS   7          1HG       LYS   7 -10.204  -0.068  -2.757
   52   2HG   LYS   7          2HG       LYS   7 -10.396   1.692  -2.705
   53   1HD   LYS   7          1HD       LYS   7 -11.864   1.581  -4.767
   54   2HD   LYS   7          2HD       LYS   7 -11.748  -0.183  -4.744
   55   1HE   LYS   7          1HE       LYS   7 -12.865   1.543  -2.438
   56   2HE   LYS   7          2HE       LYS   7 -13.853   0.694  -3.640
   57   1HZ   LYS   7          1HZ       LYS   7 -11.957  -0.584  -1.747
   58   2HZ   LYS   7          2HZ       LYS   7 -13.586  -0.583  -1.611
   59    H    CYS   8           H        CYS   8  -5.976  -0.624  -3.912
   60    HA   CYS   8           HA       CYS   8  -4.568   0.946  -6.090
   61   1HB   CYS   8          1HB       CYS   8  -2.671  -0.622  -5.721
   62   2HB   CYS   8          2HB       CYS   8  -3.216   0.121  -4.231
   63    H    SER   9           H        SER   9  -3.611  -0.221  -7.736
   64    HA   SER   9           HA       SER   9  -5.214  -2.622  -8.812
   65   1HB   SER   9          1HB       SER   9  -5.899  -0.232  -9.576
   66   2HB   SER   9          2HB       SER   9  -4.372  -0.160 -10.465
   67    HG   SER   9           HG       SER   9  -6.378  -2.166 -10.724
   68    H    GLY  10           H        GLY   1  -2.504  -1.584  -7.784
   69   1HA   GLY  10          1HA       GLY   1  -0.816  -3.576  -9.096
   70   2HA   GLY  10          2HA       GLY   1  -0.526  -2.009  -9.906
   71    H    SER  11           H        SER   1   1.178  -3.670  -8.105
   72    HA   SER  11           HA       SER   1   1.343  -2.308  -5.566
   73   1HB   SER  11          1HB       SER   1   3.444  -3.377  -5.174
   74   2HB   SER  11          2HB       SER   1   2.296  -4.493  -5.918
   75    HG   SER  11           HG       SER   1   3.304  -4.064  -7.937
   76    HA   PRO  12           HA       PRO   1   4.527   0.859  -6.766
   77   1HB   PRO  12          1HB       PRO   1   3.635   1.683  -9.573
   78   2HB   PRO  12          2HB       PRO   1   5.257   1.855  -8.842
   79   1HG   PRO  12          1HG       PRO   1   4.844  -0.223 -10.515
   80   2HG   PRO  12          2HG       PRO   1   5.627  -0.562  -8.943
   81   1HD   PRO  12          1HD       PRO   1   2.683  -0.961  -9.691
   82   2HD   PRO  12          2HD       PRO   1   3.773  -2.080  -8.829
   83    H    GLN  13           H        GLN   1   1.186   0.935  -7.761
   84    HA   GLN  13           HA       GLN   1   0.879   3.862  -7.134
   85   1HB   GLN  13          1HB       GLN   1  -1.235   1.675  -7.646
   86   2HB   GLN  13          2HB       GLN   1  -1.582   3.398  -7.495
   87   1HG   GLN  13          1HG       GLN   1   0.169   2.129  -9.705
   88   2HG   GLN  13          2HG       GLN   1  -1.506   2.650  -9.880
   89   1HE2  GLN  13          2HE2      GLN   1   0.743   5.395 -11.084
   90   2HE2  GLN  13          1HE2      GLN   1   0.501   3.615 -11.454
   91    H    CYS  14           H        CYS   1   0.978   0.914  -5.488
   92    HA   CYS  14           HA       CYS   1  -0.816   1.679  -3.157
   93   1HB   CYS  14          2HB       CYS   1  -0.423  -0.742  -3.884
   94   2HB   CYS  14          1HB       CYS   1   1.305  -0.539  -3.651
   95    H    LEU  15           H        LEU   1   2.469   1.255  -4.180
   96    HA   LEU  15           HA       LEU   1   3.769   2.043  -1.769
   97   1HB   LEU  15          1HB       LEU   1   4.773   0.671  -3.503
   98   2HB   LEU  15          2HB       LEU   1   4.549   1.899  -4.737
   99    HG   LEU  15           HG       LEU   1   6.284   2.792  -2.472
  100   1HD1  LEU  15          1HD1      LEU   1   7.144   0.508  -4.360
  101   2HD1  LEU  15          2HD1      LEU   1   8.232   1.413  -3.275
  102   3HD1  LEU  15          3HD1      LEU   1   6.954   0.379  -2.592
  103   1HD2  LEU  15          1HD2      LEU   1   6.658   2.663  -5.545
  104   2HD2  LEU  15          3HD2      LEU   1   6.040   4.076  -4.646
  105   3HD2  LEU  15          2HD2      LEU   1   7.723   3.532  -4.407
  106    H    LYS  16           H        LYS   1   2.402   4.059  -4.260
  107    HA   LYS  16           HA       LYS   1   4.147   6.367  -3.467
  108   1HB   LYS  16          1HB       LYS   1   3.627   6.340  -5.718
  109   2HB   LYS  16          2HB       LYS   1   1.904   6.149  -5.486
  110   1HG   LYS  16          1HG       LYS   1   1.771   8.441  -4.439
  111   2HG   LYS  16          2HG       LYS   1   3.533   8.600  -4.553
  112   1HD   LYS  16          1HD       LYS   1   3.386   8.367  -7.062
  113   2HD   LYS  16          2HD       LYS   1   1.627   8.204  -6.944
  114   1HE   LYS  16          1HE       LYS   1   1.485  10.486  -5.865
  115   2HE   LYS  16          2HE       LYS   1   3.249  10.649  -5.983
  116   1HZ   LYS  16          1HZ       LYS   1   2.169  11.696  -7.843
  117   2HZ   LYS  16          2HZ       LYS   1   3.072  10.442  -8.378
  118    HA   PRO  17           HA       PRO   1   0.774   8.079  -0.873
  119   1HB   PRO  17          1HB       PRO   1  -1.402   5.997  -0.561
  120   2HB   PRO  17          2HB       PRO   1  -1.581   7.770  -0.642
  121   1HG   PRO  17          1HG       PRO   1  -2.218   6.295  -2.825
  122   2HG   PRO  17          2HG       PRO   1  -1.218   7.760  -3.051
  123   1HD   PRO  17          1HD       PRO   1  -0.244   4.857  -2.848
  124   2HD   PRO  17          2HD       PRO   1   0.171   6.098  -4.070
  125    H    CYS  18           H        CYS   1   1.203   4.569  -0.647
  126    HA   CYS  18           HA       CYS   1   1.035   4.672   2.300
  127   1HB   CYS  18          1HB       CYS   1   0.701   2.583   0.758
  128   2HB   CYS  18          2HB       CYS   1   2.454   2.363   0.974
  129    H    LYS  19           H        LYS   1   3.692   5.094   0.008
  130    HA   LYS  19           HA       LYS   1   5.680   4.925   2.207
  131   1HB   LYS  19          1HB       LYS   1   6.224   4.585  -0.245
  132   2HB   LYS  19          2HB       LYS   1   6.015   6.319  -0.511
  133   1HG   LYS  19          1HG       LYS   1   7.864   6.806   1.128
  134   2HG   LYS  19          2HG       LYS   1   7.992   5.080   1.505
  135   1HD   LYS  19          1HD       LYS   1   8.608   4.597  -0.888
  136   2HD   LYS  19          2HD       LYS   1   8.381   6.301  -1.301
  137   1HE   LYS  19          1HE       LYS   1  10.780   5.899  -0.991
  138   2HE   LYS  19          2HE       LYS   1  10.215   6.938   0.329
  139   1HZ   LYS  19          1HZ       LYS   1  11.604   5.122   1.110
  140   2HZ   LYS  19          2HZ       LYS   1  10.607   3.995   0.470
  141    H    ASP  20           H        ASP   2   3.570   7.380   1.003
  142    HA   ASP  20           HA       ASP   2   5.069   9.538   2.456
  143   1HB   ASP  20          1HB       ASP   2   4.068  10.049   0.193
  144   2HB   ASP  20          2HB       ASP   2   2.461   9.670   0.836
  145    HD2  ASP  20           HD2      ASP   2   1.418  11.212   1.355
  146    H    ALA  21           H        ALA   2   2.733   7.417   2.803
  147    HA   ALA  21           HA       ALA   2   1.357   8.787   5.098
  148   1HB   ALA  21          1HB       ALA   2  -0.007   7.274   3.618
  149   2HB   ALA  21          2HB       ALA   2   0.941   5.877   4.210
  150   3HB   ALA  21          3HB       ALA   2  -0.096   6.792   5.331
  151    H    GLY  22           H        GLY   2   4.233   7.316   5.043
  152   1HA   GLY  22          1HA       GLY   2   5.543   6.958   7.076
  153   2HA   GLY  22          2HA       GLY   2   4.071   6.916   8.040
  154    H    MET  23           H        MET   2   4.866   5.103   5.127
  155    HA   MET  23           HA       MET   2   5.387   2.590   6.817
  156   1HB   MET  23          1HB       MET   2   3.347   2.817   4.533
  157   2HB   MET  23          2HB       MET   2   3.985   1.283   5.047
  158   1HG   MET  23          1HG       MET   2   2.511   3.214   6.917
  159   2HG   MET  23          2HG       MET   2   1.753   1.843   6.068
  160   1HE   MET  23          2HE       MET   2   1.857  -0.384   6.468
  161   2HE   MET  23          1HE       MET   2   3.612  -0.678   6.250
  162   3HE   MET  23          3HE       MET   2   2.792  -1.269   7.720
  163    H    ARG  24           H        ARG   2   6.035   0.774   5.049
  164    HA   ARG  24           HA       ARG   2   8.391   2.126   3.666
  165   1HB   ARG  24          1HB       ARG   2   8.012  -0.815   4.393
  166   2HB   ARG  24          2HB       ARG   2   9.472  -0.078   3.701
  167   1HG   ARG  24          1HG       ARG   2   8.353   0.482   6.511
  168   2HG   ARG  24          2HG       ARG   2   9.706  -0.540   6.073
  169   1HD   ARG  24          1HD       ARG   2  10.945   1.407   5.114
  170   2HD   ARG  24          2HD       ARG   2   9.594   2.480   5.555
  171   1HH1  ARG  24          1HH2      ARG   2  11.493   3.363   5.626
  172   2HH1  ARG  24          2HH2      ARG   2  12.563   4.204   6.856
  173   1HH2  ARG  24          2HH1      ARG   2  11.660   2.027   9.392
  174   2HH2  ARG  24          1HH1      ARG   2  12.653   3.485   8.884
  175    H    PHE  25           H        PHE   2   8.038  -0.709   2.508
  176    HA   PHE  25           HA       PHE   2   7.308   0.425  -0.164
  177   1HB   PHE  25          1HB       PHE   2   7.420  -2.567   0.195
  178   2HB   PHE  25          2HB       PHE   2   7.920  -1.597  -1.182
  179    HD1  PHE  25           HD2      PHE   2   9.894   0.038  -0.739
  180    HD2  PHE  25           HD1      PHE   2   9.046  -3.265   1.700
  181    HE1  PHE  25           HE2      PHE   2  12.173   0.055   0.077
  182    HE2  PHE  25           HE1      PHE   2  11.324  -3.248   2.515
  183    HZ   PHE  25           HZ       PHE   2  12.887  -1.588   1.705
  184    H    GLY  26           H        GLY   2   5.915  -0.597  -1.569
  185   1HA   GLY  26          2HA       GLY   2   3.128  -0.874  -0.287
  186   2HA   GLY  26          1HA       GLY   2   3.426  -0.283  -1.913
  187    H    LYS  27           H        LYS   2   1.895  -2.436  -0.768
  188    HA   LYS  27           HA       LYS   2   2.714  -4.531  -2.838
  189   1HB   LYS  27          1HB       LYS   2   3.574  -5.214  -0.540
  190   2HB   LYS  27          2HB       LYS   2   1.925  -5.119   0.091
  191   1HG   LYS  27          1HG       LYS   2   1.188  -6.899  -1.536
  192   2HG   LYS  27          2HG       LYS   2   2.815  -6.943  -2.234
  193   1HD   LYS  27          1HD       LYS   2   3.757  -7.611   0.010
  194   2HD   LYS  27          2HD       LYS   2   2.131  -7.561   0.709
  195   1HE   LYS  27          1HE       LYS   2   1.370  -9.328  -0.932
  196   2HE   LYS  27          2HE       LYS   2   3.001  -9.378  -1.632
  197   1HZ   LYS  27          1HZ       LYS   2   2.725 -11.091   0.015
  198   2HZ   LYS  27          2HZ       LYS   2   3.865 -10.033   0.521
  199    H    CYS  28           H        CYS   2   1.072  -4.363  -4.171
  200    HA   CYS  28           HA       CYS   2  -1.571  -3.524  -3.151
  201   1HB   CYS  28          1HB       CYS   2  -0.835  -2.885  -5.385
  202   2HB   CYS  28          2HB       CYS   2  -0.897  -4.577  -5.948
  203    H    MET  29           H        MET   2  -3.334  -4.722  -2.818
  204    HA   MET  29           HA       MET   2  -3.371  -7.609  -3.559
  205   1HB   MET  29          1HB       MET   2  -1.823  -7.564  -1.553
  206   2HB   MET  29          2HB       MET   2  -3.116  -6.857  -0.580
  207   1HG   MET  29          1HG       MET   2  -2.943  -9.323  -0.219
  208   2HG   MET  29          2HG       MET   2  -4.522  -8.928  -0.913
  209   1HE   MET  29          1HE       MET   2  -3.267 -11.832  -0.896
  210   2HE   MET  29          3HE       MET   2  -4.858 -11.431  -1.613
  211   3HE   MET  29          2HE       MET   2  -3.668 -12.385  -2.552
  212    H    ASN  30           H        ASN   3  -5.275  -8.149  -3.948
  213    HA   ASN  30           HA       ASN   3  -7.649  -8.147  -4.095
  214   1HB   ASN  30          1HB       ASN   3  -7.371  -7.451  -1.113
  215   2HB   ASN  30          2HB       ASN   3  -8.822  -8.107  -1.889
  216   1HD2  ASN  30          1HD2      ASN   3  -6.654 -10.866  -0.404
  217   2HD2  ASN  30          2HD2      ASN   3  -7.279  -9.256   0.216
  218    H    ARG  31           H        ARG   3  -6.575  -5.756  -4.917
  219    HA   ARG  31           HA       ARG   3  -7.203  -3.541  -5.420
  220   1HB   ARG  31          1HB       ARG   3  -9.960  -4.417  -4.409
  221   2HB   ARG  31          2HB       ARG   3  -9.614  -2.921  -5.284
  222   1HG   ARG  31          1HG       ARG   3  -8.688  -4.281  -7.218
  223   2HG   ARG  31          2HG       ARG   3  -9.130  -5.770  -6.367
  224   1HD   ARG  31          1HD       ARG   3 -11.517  -5.027  -6.279
  225   2HD   ARG  31          2HD       ARG   3 -11.141  -3.537  -7.116
  226   1HH1  ARG  31          1HH2      ARG   3 -10.047  -3.066  -8.756
  227   2HH1  ARG  31          2HH2      ARG   3  -9.949  -3.318 -10.571
  228   1HH2  ARG  31          2HH1      ARG   3 -11.213  -6.522 -10.397
  229   2HH2  ARG  31          1HH1      ARG   3 -10.570  -5.159 -11.444
  230    H    LYS  32           H        LYS   3  -6.045  -4.072  -2.820
  231    HA   LYS  32           HA       LYS   3  -6.797  -1.359  -1.662
  232   1HB   LYS  32          1HB       LYS   3  -6.924  -4.073  -0.201
  233   2HB   LYS  32          2HB       LYS   3  -6.423  -2.619   0.650
  234   1HG   LYS  32          1HG       LYS   3  -8.597  -2.359   1.123
  235   2HG   LYS  32          2HG       LYS   3  -8.701  -1.598  -0.462
  236   1HD   LYS  32          1HD       LYS   3  -9.487  -3.775  -1.452
  237   2HD   LYS  32          2HD       LYS   3  -9.200  -4.598   0.089
  238   1HE   LYS  32          1HE       LYS   3 -10.898  -3.095   1.200
  239   2HE   LYS  32          2HE       LYS   3 -11.176  -2.268  -0.346
  240   1HZ   LYS  32          1HZ       LYS   3 -11.827  -4.414  -1.297
  241   2HZ   LYS  32          2HZ       LYS   3 -11.571  -5.176   0.127
  242    H    CYS  33           H        CYS   3  -4.986  -0.295  -1.086
  243    HA   CYS  33           HA       CYS   3  -2.430  -1.590  -1.506
  244   1HB   CYS  33          2HB       CYS   3  -2.913   0.814  -1.838
  245   2HB   CYS  33          1HB       CYS   3  -3.182   0.999  -0.083
  246    H    HIS  34           H        HIS   3  -1.494  -2.705  -0.370
  247    HA   HIS  34           HA       HIS   3  -1.784  -2.779   2.709
  248   1HB   HIS  34          1HB       HIS   3  -1.067  -5.074   0.799
  249   2HB   HIS  34          2HB       HIS   3  -0.523  -5.066   2.477
  250    HD2  HIS  34           HD2      HIS   3  -3.962  -4.563   0.624
  251    HE1  HIS  34           HE1      HIS   3  -4.690  -6.711   4.103
  252    HE2  HIS  34           HE2      HIS   3  -5.866  -5.785   2.014
  253    H    CYS  35           H        CYS   3   0.355  -2.987   3.780
  254    HA   CYS  35           HA       CYS   3   2.713  -2.400   1.979
  255   1HB   CYS  35          2HB       CYS   3   2.819  -0.442   4.147
  256   2HB   CYS  35          1HB       CYS   3   3.050  -0.241   2.409
  257    H    THR  36           H        THR   3   4.701  -2.035   3.377
  258    HA   THR  36           HA       THR   3   4.751  -4.559   5.030
  259    HB   THR  36           HB       THR   3   6.999  -2.796   4.011
  260    HG1  THR  36           HG1      THR   3   7.084  -4.465   2.483
  261   1HG2  THR  36          3HG2      THR   3   6.954  -5.661   5.170
  262   2HG2  THR  36          2HG2      THR   3   8.357  -4.902   4.375
  263   3HG2  THR  36          1HG2      THR   3   7.756  -4.251   5.917
  264    HA   PRO  37           HA       PRO   3   5.131  -1.272   8.441
  265   1HB   PRO  37          1HB       PRO   3   4.983  -2.866  10.709
  266   2HB   PRO  37          2HB       PRO   3   3.552  -2.402   9.749
  267   1HG   PRO  37          1HG       PRO   3   5.169  -4.994   9.527
  268   2HG   PRO  37          2HG       PRO   3   3.400  -4.832   9.726
  269   1HD   PRO  37          1HD       PRO   3   4.478  -5.192   7.229
  270   2HD   PRO  37          2HD       PRO   3   3.143  -4.011   7.441
  271    H    LYS  38           H        LYS   3   6.999  -0.530   8.322
  272    HA   LYS  38           HA       LYS   3   9.334  -0.225   8.639
  273   1HB   LYS  38          1HB       LYS   3   8.936  -2.271  10.892
  274   2HB   LYS  38          2HB       LYS   3  10.358  -1.244  10.678
  275   1HG   LYS  38          1HG       LYS   3   8.865   0.809  10.810
  276   2HG   LYS  38          2HG       LYS   3   7.491  -0.242  11.194
  277   1HD   LYS  38          1HD       LYS   3   8.785  -1.202  13.147
  278   2HD   LYS  38          2HD       LYS   3  10.104  -0.073  12.816
  279   1HE   LYS  38          1HE       LYS   3   7.195   0.749  13.453
  280   2HE   LYS  38          2HE       LYS   3   8.525   0.738  14.625
  281   1HZ   LYS  38          1HZ       LYS   3   8.485   2.334  12.121
  282   2HZ   LYS  38          2HZ       LYS   3   9.708   2.319  13.206
  283    HXT  LYS  38           HO       OH    3  11.588  -2.979   8.120
   
  No H/Q in entry =         283
  Start of MODEL   18
    1   1H    GLY   1          1H        GLY   1   0.381  -6.760   7.839
    2   2H    GLY   1          2H        GLY   1  -0.112  -6.797   6.281
    3   1HA   GLY   1          1HA       GLY   1  -2.247  -7.791   6.905
    4   2HA   GLY   1          2HA       GLY   1  -1.711  -7.750   8.599
    5    H    VAL   2           H        VAL   2  -0.182  -5.193   7.494
    6    HA   VAL   2           HA       VAL   2  -2.313  -3.364   8.541
    7    HB   VAL   2           HB       VAL   2  -0.660  -1.551   8.233
    8   1HG1  VAL   2          1HG1      VAL   2  -0.658  -2.975  10.317
    9   2HG1  VAL   2          3HG1      VAL   2   0.579  -4.034   9.584
   10   3HG1  VAL   2          2HG1      VAL   2   0.959  -2.331   9.930
   11   1HG2  VAL   2          2HG2      VAL   2   0.559  -2.357   6.195
   12   2HG2  VAL   2          1HG2      VAL   2   1.683  -2.070   7.544
   13   3HG2  VAL   2          3HG2      VAL   2   1.238  -3.727   7.117
   14    H    GLU   3           H        GLU   3  -3.205  -1.639   7.358
   15    HA   GLU   3           HA       GLU   3  -2.744  -1.561   4.421
   16   1HB   GLU   3          1HB       GLU   3  -4.974  -2.336   3.715
   17   2HB   GLU   3          2HB       GLU   3  -4.128  -3.606   4.594
   18   1HG   GLU   3          1HG       GLU   3  -5.474  -3.026   6.692
   19   2HG   GLU   3          2HG       GLU   3  -6.350  -1.800   5.761
   20    HE2  GLU   3           HE2      GLU   3  -8.547  -4.482   5.528
   21    H    ILE   4           H        ILE   4  -4.567  -0.260   3.361
   22    HA   ILE   4           HA       ILE   4  -5.683   1.866   5.217
   23    HB   ILE   4           HB       ILE   4  -4.904   3.657   3.568
   24   1HG1  ILE   4          1HG1      ILE   4  -2.723   1.607   2.841
   25   2HG1  ILE   4          2HG1      ILE   4  -4.117   1.974   1.815
   26   1HG2  ILE   4          1HG2      ILE   4  -4.022   3.346   5.911
   27   2HG2  ILE   4          2HG2      ILE   4  -2.712   2.326   5.266
   28   3HG2  ILE   4          3HG2      ILE   4  -2.807   4.054   4.826
   29   1HD1  ILE   4          1HD1      ILE   4  -3.402   4.441   1.825
   30   2HD1  ILE   4          3HD1      ILE   4  -1.936   3.965   2.715
   31   3HD1  ILE   4          2HD1      ILE   4  -2.214   3.344   1.069
   32    H    ASN   5           H        ASN   5  -7.256   3.173   4.153
   33    HA   ASN   5           HA       ASN   5  -8.835   1.438   2.307
   34   1HB   ASN   5          1HB       ASN   5  -9.871   2.737   4.189
   35   2HB   ASN   5          2HB       ASN   5  -9.437   4.253   3.382
   36   1HD2  ASN   5          1HD2      ASN   5 -12.623   2.031   2.063
   37   2HD2  ASN   5          2HD2      ASN   5 -11.461   1.439   3.353
   38    H    VAL   6           H        VAL   6  -7.320   1.500   0.551
   39    HA   VAL   6           HA       VAL   6  -8.025   3.761  -1.359
   40    HB   VAL   6           HB       VAL   6  -5.172   2.686  -1.220
   41   1HG1  VAL   6          3HG1      VAL   6  -6.386   5.109  -2.676
   42   2HG1  VAL   6          2HG1      VAL   6  -4.663   4.655  -2.697
   43   3HG1  VAL   6          1HG1      VAL   6  -5.873   3.580  -3.437
   44   1HG2  VAL   6          1HG2      VAL   6  -5.469   4.123   0.834
   45   2HG2  VAL   6          3HG2      VAL   6  -4.386   4.902  -0.351
   46   3HG2  VAL   6          2HG2      VAL   6  -6.075   5.453  -0.189
   47    H    LYS   7           H        LYS   7  -8.423   2.939  -3.260
   48    HA   LYS   7           HA       LYS   7  -8.373  -0.086  -3.468
   49   1HB   LYS   7          1HB       LYS   7  -9.763   0.108  -5.432
   50   2HB   LYS   7          2HB       LYS   7 -10.476   1.025  -4.106
   51   1HG   LYS   7          1HG       LYS   7  -9.487   3.167  -5.096
   52   2HG   LYS   7          2HG       LYS   7  -8.902   2.236  -6.470
   53   1HD   LYS   7          1HD       LYS   7 -11.843   2.476  -5.562
   54   2HD   LYS   7          2HD       LYS   7 -11.107   3.430  -6.847
   55   1HE   LYS   7          1HE       LYS   7 -11.463   0.365  -6.899
   56   2HE   LYS   7          2HE       LYS   7 -12.445   1.549  -7.766
   57   1HZ   LYS   7          1HZ       LYS   7 -10.751   0.658  -9.186
   58   2HZ   LYS   7          2HZ       LYS   7 -10.492   2.258  -8.974
   59    H    CYS   8           H        CYS   8  -7.047  -1.173  -4.651
   60    HA   CYS   8           HA       CYS   8  -4.816   0.356  -6.038
   61   1HB   CYS   8          1HB       CYS   8  -4.332  -1.352  -4.362
   62   2HB   CYS   8          2HB       CYS   8  -5.039  -2.633  -5.371
   63    H    SER   9           H        SER   9  -4.061  -0.293  -7.799
   64    HA   SER   9           HA       SER   9  -5.862  -1.657  -9.879
   65   1HB   SER   9          1HB       SER   9  -6.102   0.934  -9.610
   66   2HB   SER   9          2HB       SER   9  -4.542   1.070 -10.431
   67    HG   SER   9           HG       SER   9  -6.846  -0.295 -11.407
   68    H    GLY  10           H        GLY   1  -3.248  -1.726  -8.392
   69   1HA   GLY  10          1HA       GLY   1  -1.658  -3.101 -10.456
   70   2HA   GLY  10          2HA       GLY   1  -1.029  -1.440 -10.259
   71    H    SER  11           H        SER   1   0.318  -1.055  -8.951
   72    HA   SER  11           HA       SER   1   0.610  -2.047  -6.245
   73   1HB   SER  11          1HB       SER   1   2.754  -3.289  -6.391
   74   2HB   SER  11          2HB       SER   1   1.272  -4.112  -6.831
   75    HG   SER  11           HG       SER   1   1.716  -3.702  -9.028
   76    HA   PRO  12           HA       PRO   1   4.011   1.129  -7.017
   77   1HB   PRO  12          1HB       PRO   1   3.234   2.086  -9.821
   78   2HB   PRO  12          2HB       PRO   1   4.799   2.325  -8.990
   79   1HG   PRO  12          1HG       PRO   1   4.546   0.258 -10.730
   80   2HG   PRO  12          2HG       PRO   1   5.337  -0.029  -9.155
   81   1HD   PRO  12          1HD       PRO   1   2.558  -0.866 -10.019
   82   2HD   PRO  12          2HD       PRO   1   3.711  -1.620  -8.872
   83    H    GLN  13           H        GLN   1   0.703   1.520  -8.119
   84    HA   GLN  13           HA       GLN   1   0.632   4.446  -7.480
   85   1HB   GLN  13          1HB       GLN   1  -1.647   2.419  -7.929
   86   2HB   GLN  13          2HB       GLN   1  -1.875   4.159  -7.710
   87   1HG   GLN  13          1HG       GLN   1  -0.395   4.595  -9.727
   88   2HG   GLN  13          2HG       GLN   1  -0.261   2.848  -9.993
   89   1HE2  GLN  13          1HE2      GLN   1  -3.049   3.439 -12.150
   90   2HE2  GLN  13          2HE2      GLN   1  -1.226   3.278 -12.024
   91    H    CYS  14           H        CYS   1   0.237   1.417  -5.816
   92    HA   CYS  14           HA       CYS   1  -1.219   2.593  -3.441
   93   1HB   CYS  14          2HB       CYS   1  -0.074  -0.096  -4.246
   94   2HB   CYS  14          1HB       CYS   1  -0.234   0.273  -2.517
   95    H    LEU  15           H        LEU   1   1.953   1.643  -4.579
   96    HA   LEU  15           HA       LEU   1   3.570   1.616  -2.252
   97   1HB   LEU  15          1HB       LEU   1   4.240   0.796  -4.469
   98   2HB   LEU  15          2HB       LEU   1   4.152   2.407  -5.154
   99    HG   LEU  15           HG       LEU   1   6.089   3.152  -3.747
  100   1HD1  LEU  15          3HD2      LEU   1   6.163   0.194  -2.866
  101   2HD1  LEU  15          2HD2      LEU   1   7.446   1.395  -2.563
  102   3HD1  LEU  15          1HD2      LEU   1   5.848   1.591  -1.801
  103   1HD2  LEU  15          1HD1      LEU   1   6.408   2.224  -6.047
  104   2HD2  LEU  15          3HD1      LEU   1   7.780   1.800  -4.989
  105   3HD2  LEU  15          2HD1      LEU   1   6.540   0.577  -5.374
  106    H    LYS  16           H        LYS   1   3.274   4.180  -4.536
  107    HA   LYS  16           HA       LYS   1   4.855   6.155  -3.174
  108   1HB   LYS  16          1HB       LYS   1   4.234   6.272  -5.553
  109   2HB   LYS  16          2HB       LYS   1   2.584   6.735  -5.118
  110   1HG   LYS  16          1HG       LYS   1   3.452   8.775  -3.934
  111   2HG   LYS  16          2HG       LYS   1   5.118   8.282  -4.281
  112   1HD   LYS  16          1HD       LYS   1   4.596   8.330  -6.762
  113   2HD   LYS  16          2HD       LYS   1   2.966   8.912  -6.400
  114   1HE   LYS  16          1HE       LYS   1   5.574  10.356  -5.590
  115   2HE   LYS  16          2HE       LYS   1   4.583  10.770  -7.000
  116   1HZ   LYS  16          1HZ       LYS   1   2.735  11.232  -5.530
  117   2HZ   LYS  16          2HZ       LYS   1   4.026  12.155  -5.137
  118    HA   PRO  17           HA       PRO   1   1.641   8.203  -0.603
  119   1HB   PRO  17          1HB       PRO   1  -0.950   7.348  -0.215
  120   2HB   PRO  17          2HB       PRO   1  -0.478   8.317  -1.640
  121   1HG   PRO  17          1HG       PRO   1  -0.683   5.258  -1.477
  122   2HG   PRO  17          2HG       PRO   1  -1.492   6.334  -2.656
  123   1HD   PRO  17          1HD       PRO   1   0.899   5.162  -3.326
  124   2HD   PRO  17          2HD       PRO   1   0.624   6.872  -3.736
  125    H    CYS  18           H        CYS   1   1.578   4.677  -0.608
  126    HA   CYS  18           HA       CYS   1   0.995   4.587   2.291
  127   1HB   CYS  18          1HB       CYS   1   0.859   2.588   0.540
  128   2HB   CYS  18          2HB       CYS   1   2.555   2.318   1.004
  129    H    LYS  19           H        LYS   1   3.888   4.849   0.337
  130    HA   LYS  19           HA       LYS   1   5.647   4.432   2.727
  131   1HB   LYS  19          1HB       LYS   1   6.296   3.776   0.358
  132   2HB   LYS  19          2HB       LYS   1   6.349   5.487  -0.084
  133   1HG   LYS  19          1HG       LYS   1   8.158   5.886   1.625
  134   2HG   LYS  19          2HG       LYS   1   8.035   4.202   2.160
  135   1HD   LYS  19          1HD       LYS   1   8.667   3.424  -0.156
  136   2HD   LYS  19          2HD       LYS   1   8.783   5.109  -0.691
  137   1HE   LYS  19          1HE       LYS   1  10.572   5.538   1.043
  138   2HE   LYS  19          2HE       LYS   1  10.456   3.850   1.579
  139   1HZ   LYS  19          1HZ       LYS   1  11.145   4.720  -1.178
  140   2HZ   LYS  19          2HZ       LYS   1  11.038   3.165  -0.685
  141    H    ASP  20           H        ASP   2   3.991   7.009   1.198
  142    HA   ASP  20           HA       ASP   2   5.692   9.076   2.575
  143   1HB   ASP  20          1HB       ASP   2   3.240   9.436   0.763
  144   2HB   ASP  20          2HB       ASP   2   4.267  10.748   1.367
  145    HD2  ASP  20           HD2      ASP   2   5.229   9.729  -2.037
  146    H    ALA  21           H        ALA   2   3.081   7.317   2.953
  147    HA   ALA  21           HA       ALA   2   1.675   9.105   4.870
  148   1HB   ALA  21          1HB       ALA   2   1.297   6.071   4.488
  149   2HB   ALA  21          3HB       ALA   2   0.262   7.098   5.516
  150   3HB   ALA  21          2HB       ALA   2   0.297   7.357   3.756
  151    H    GLY  22           H        GLY   2   3.190   5.995   5.425
  152   1HA   GLY  22          1HA       GLY   2   5.001   6.781   7.470
  153   2HA   GLY  22          2HA       GLY   2   3.443   6.640   8.332
  154    H    MET  23           H        MET   2   4.523   4.903   5.520
  155    HA   MET  23           HA       MET   2   5.032   2.367   7.213
  156   1HB   MET  23          1HB       MET   2   3.425   2.387   4.574
  157   2HB   MET  23          2HB       MET   2   3.775   0.973   5.531
  158   1HG   MET  23          1HG       MET   2   2.249   2.851   7.194
  159   2HG   MET  23          2HG       MET   2   1.442   2.489   5.657
  160   1HE   MET  23          1HE       MET   2   3.111   1.204   8.889
  161   2HE   MET  23          2HE       MET   2   2.894  -0.574   8.830
  162   3HE   MET  23          3HE       MET   2   4.063   0.218   7.737
  163    H    ARG  24           H        ARG   2   5.725   0.646   5.270
  164    HA   ARG  24           HA       ARG   2   8.212   2.020   4.140
  165   1HB   ARG  24          1HB       ARG   2   8.278   0.056   5.779
  166   2HB   ARG  24          2HB       ARG   2   7.768  -0.975   4.463
  167   1HG   ARG  24          1HG       ARG   2   9.782  -0.148   3.115
  168   2HG   ARG  24          2HG       ARG   2  10.232   0.900   4.470
  169   1HD   ARG  24          1HD       ARG   2  10.412  -1.122   5.972
  170   2HD   ARG  24          2HD       ARG   2   9.987  -2.171   4.597
  171   1HH1  ARG  24          2HH2      ARG   2  11.285  -3.027   6.002
  172   2HH1  ARG  24          1HH2      ARG   2  12.968  -3.758   6.040
  173   1HH2  ARG  24          2HH1      ARG   2  14.236  -1.395   3.852
  174   2HH2  ARG  24          1HH1      ARG   2  14.557  -2.879   4.883
  175    H    PHE  25           H        PHE   2   7.682  -0.626   2.600
  176    HA   PHE  25           HA       PHE   2   6.697   0.864   0.171
  177   1HB   PHE  25          1HB       PHE   2   6.803  -2.114  -0.028
  178   2HB   PHE  25          2HB       PHE   2   7.360  -0.902  -1.169
  179    HD1  PHE  25           HD2      PHE   2   9.447   0.433  -0.507
  180    HD2  PHE  25           HD1      PHE   2   8.363  -3.153   1.376
  181    HE1  PHE  25           HE2      PHE   2  11.729   0.137   0.244
  182    HE2  PHE  25           HE1      PHE   2  10.643  -3.448   2.125
  183    HZ   PHE  25           HZ       PHE   2  12.327  -1.805   1.560
  184    H    GLY  26           H        GLY   2   5.016   0.095  -1.124
  185   1HA   GLY  26          1HA       GLY   2   2.583  -0.839   0.536
  186   2HA   GLY  26          2HA       GLY   2   2.446   0.347  -0.757
  187    H    LYS  27           H        LYS   2   2.333  -2.829   0.065
  188    HA   LYS  27           HA       LYS   2   2.921  -3.857  -2.792
  189   1HB   LYS  27          1HB       LYS   2   2.625  -5.407  -0.141
  190   2HB   LYS  27          2HB       LYS   2   2.788  -6.150  -1.738
  191   1HG   LYS  27          1HG       LYS   2   5.006  -4.968  -2.053
  192   2HG   LYS  27          2HG       LYS   2   4.869  -4.299  -0.418
  193   1HD   LYS  27          1HD       LYS   2   4.772  -6.623   0.540
  194   2HD   LYS  27          2HD       LYS   2   4.797  -7.308  -1.090
  195   1HE   LYS  27          1HE       LYS   2   7.068  -7.427  -0.168
  196   2HE   LYS  27          2HE       LYS   2   7.065  -6.255  -1.497
  197   1HZ   LYS  27          1HZ       LYS   2   6.878  -4.480   0.127
  198   2HZ   LYS  27          2HZ       LYS   2   8.209  -5.384   0.415
  199    H    CYS  28           H        CYS   2   1.252  -4.340  -3.975
  200    HA   CYS  28           HA       CYS   2  -1.399  -3.824  -2.806
  201   1HB   CYS  28          1HB       CYS   2  -0.574  -4.475  -5.594
  202   2HB   CYS  28          2HB       CYS   2  -2.270  -4.638  -5.111
  203    H    MET  29           H        MET   2  -3.009  -5.048  -2.449
  204    HA   MET  29           HA       MET   2  -2.982  -7.960  -3.209
  205   1HB   MET  29          1HB       MET   2  -1.507  -7.800  -1.140
  206   2HB   MET  29          2HB       MET   2  -2.901  -7.190  -0.242
  207   1HG   MET  29          1HG       MET   2  -4.166  -9.318  -0.718
  208   2HG   MET  29          2HG       MET   2  -2.809  -9.908  -1.704
  209   1HE   MET  29          3HE       MET   2  -2.717 -12.100  -0.262
  210   2HE   MET  29          2HE       MET   2  -2.606 -12.126   1.525
  211   3HE   MET  29          1HE       MET   2  -4.083 -11.501   0.729
  212    H    ASN  30           H        ASN   3  -4.870  -8.612  -3.575
  213    HA   ASN  30           HA       ASN   3  -7.235  -8.657  -3.802
  214   1HB   ASN  30          1HB       ASN   3  -7.085  -7.678  -0.893
  215   2HB   ASN  30          2HB       ASN   3  -8.498  -8.423  -1.662
  216   1HD2  ASN  30          1HD2      ASN   3  -6.381 -11.007   0.165
  217   2HD2  ASN  30          2HD2      ASN   3  -7.052  -9.356   0.603
  218    H    ARG  31           H        ARG   3  -6.112  -6.331  -4.778
  219    HA   ARG  31           HA       ARG   3  -6.718  -4.189  -5.529
  220   1HB   ARG  31          1HB       ARG   3  -8.843  -5.558  -6.024
  221   2HB   ARG  31          2HB       ARG   3  -9.562  -4.803  -4.597
  222   1HG   ARG  31          1HG       ARG   3  -9.142  -2.517  -5.620
  223   2HG   ARG  31          2HG       ARG   3  -8.305  -3.280  -6.975
  224   1HD   ARG  31          1HD       ARG   3 -10.582  -2.746  -7.675
  225   2HD   ARG  31          2HD       ARG   3 -10.420  -4.515  -7.587
  226   1HH1  ARG  31          2HH1      ARG   3 -12.232  -3.831  -8.384
  227   2HH1  ARG  31          1HH1      ARG   3 -14.025  -3.972  -8.024
  228   1HH2  ARG  31          1HH2      ARG   3 -13.539  -3.740  -4.605
  229   2HH2  ARG  31          2HH2      ARG   3 -14.729  -3.923  -5.990
  230    H    LYS  32           H        LYS   3  -5.679  -4.456  -2.874
  231    HA   LYS  32           HA       LYS   3  -6.561  -1.689  -1.973
  232   1HB   LYS  32          1HB       LYS   3  -7.961  -3.592  -0.881
  233   2HB   LYS  32          2HB       LYS   3  -6.470  -4.167  -0.128
  234   1HG   LYS  32          1HG       LYS   3  -6.167  -1.954   1.015
  235   2HG   LYS  32          2HG       LYS   3  -7.585  -1.307   0.172
  236   1HD   LYS  32          1HD       LYS   3  -9.016  -3.120   1.226
  237   2HD   LYS  32          2HD       LYS   3  -7.606  -3.685   2.135
  238   1HE   LYS  32          1HE       LYS   3  -7.393  -1.427   3.231
  239   2HE   LYS  32          2HE       LYS   3  -8.762  -0.826   2.273
  240   1HZ   LYS  32          1HZ       LYS   3 -10.145  -2.552   3.284
  241   2HZ   LYS  32          2HZ       LYS   3  -8.889  -3.109   4.169
  242    H    CYS  33           H        CYS   3  -4.720  -0.537  -1.487
  243    HA   CYS  33           HA       CYS   3  -2.223  -1.726  -1.429
  244   1HB   CYS  33          2HB       CYS   3  -2.930   0.696   0.365
  245   2HB   CYS  33          1HB       CYS   3  -1.396   0.407  -0.453
  246    H    HIS  34           H        HIS   3  -1.209  -2.929  -0.180
  247    HA   HIS  34           HA       HIS   3  -1.986  -3.234   2.786
  248   1HB   HIS  34          1HB       HIS   3  -1.058  -5.378   0.793
  249   2HB   HIS  34          2HB       HIS   3  -0.746  -5.508   2.525
  250    HD2  HIS  34           HD2      HIS   3  -4.159  -3.991   1.355
  251    HE1  HIS  34           HE1      HIS   3  -4.970  -7.851   2.610
  252    HE2  HIS  34           HE2      HIS   3  -6.114  -5.699   1.844
  253    H    CYS  35           H        CYS   3   0.203  -3.390   3.935
  254    HA   CYS  35           HA       CYS   3   2.515  -2.474   2.187
  255   1HB   CYS  35          2HB       CYS   3   1.891  -0.771   4.645
  256   2HB   CYS  35          1HB       CYS   3   2.991  -0.454   3.288
  257    H    THR  36           H        THR   3   4.461  -2.166   3.568
  258    HA   THR  36           HA       THR   3   4.613  -4.733   5.155
  259    HB   THR  36           HB       THR   3   6.715  -2.898   3.928
  260    HG1  THR  36           HG1      THR   3   5.717  -5.472   3.306
  261   1HG2  THR  36          2HG2      THR   3   7.067  -5.650   5.282
  262   2HG2  THR  36          1HG2      THR   3   8.324  -4.771   4.371
  263   3HG2  THR  36          3HG2      THR   3   7.704  -4.100   5.901
  264    HA   PRO  37           HA       PRO   3   4.815  -1.851   8.786
  265   1HB   PRO  37          1HB       PRO   3   6.880  -3.758   9.959
  266   2HB   PRO  37          2HB       PRO   3   5.453  -3.057  10.769
  267   1HG   PRO  37          1HG       PRO   3   5.322  -5.623   9.910
  268   2HG   PRO  37          2HG       PRO   3   3.950  -4.536   9.554
  269   1HD   PRO  37          1HD       PRO   3   6.203  -5.371   7.655
  270   2HD   PRO  37          2HD       PRO   3   4.438  -5.242   7.346
  271    H    LYS  38           H        LYS   3   6.067  -0.205   9.577
  272    HA   LYS  38           HA       LYS   3   8.503   0.364   8.014
  273   1HB   LYS  38          1HB       LYS   3   8.707   2.423   9.358
  274   2HB   LYS  38          2HB       LYS   3   7.060   2.211   8.765
  275   1HG   LYS  38          1HG       LYS   3   6.352   1.331  11.036
  276   2HG   LYS  38          2HG       LYS   3   8.006   1.546  11.632
  277   1HD   LYS  38          1HD       LYS   3   7.887   3.998  11.075
  278   2HD   LYS  38          2HD       LYS   3   6.233   3.783  10.481
  279   1HE   LYS  38          1HE       LYS   3   5.522   2.944  12.758
  280   2HE   LYS  38          2HE       LYS   3   7.180   3.159  13.353
  281   1HZ   LYS  38          1HZ       LYS   3   5.481   5.321  12.225
  282   2HZ   LYS  38          2HZ       LYS   3   7.008   5.518  12.774
  283    HXT  LYS  38           HO       OH    3   9.384  -1.374  11.510
   
  No H/Q in entry =         283