*HEADER   NEUROTOXIN                              14-DEC-95   1EIT    
*TITLE    NMR STUDY OF MU-AGATOXIN                                    
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: MU-AGATOXIN-I;                                   
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 SYNONYM: MU-AGA-I                                          
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: AGELENOPSIS APERTA;                   
*SOURCE  3 ORGANISM_COMMON: FUNNEL-WEB SPIDER;                        
*SOURCE  4 TISSUE: VENOM                                              
*KEYWDS   NEUROTOXIN, EXCITATORY INSECT TOXIN                         
*EXPDTA   NMR, 10 STRUCTURES                                          
*AUTHOR   D.O.OMECINSKY,M.D.REILY                                     
*REVDAT  1   03-APR-96 1EIT    0                                      


!BIOSYM restraint 1
!
#remote_prochiral_center
1:VAL_3:HG2*    1:VAL_3:HG1*    1:VAL_3:CG2     1:VAL_3:CG1     1:VAL_3:CB     
!
#chiral
1:GLUn_1:CA        S
1:CYS_2:CA         R
1:VAL_3:CA         S
1:PRO_4:CA         S
1:GLU_5:CA         S
1:ASN_6:CA         S
1:HIS_8:CA         S
1:CYS_9:CA         R
1:ARG_10:CA        S
1:ASP_11:CA        S
1:TRP_12:CA        S
1:TYR_13:CA        S
1:ASP_14:CA        S
1:GLU_15:CA        S
1:CYS_16:CA        R
1:CYS_17:CA        R
1:GLU_18:CA        S
1:PHE_20:CA        S
1:TYR_21:CA        S
1:CYS_22:CA        R
1:SER_23:CA        S
1:CYS_24:CA        R
1:ARG_25:CA        S
1:GLN_26:CA        S
1:PRO_27:CA        S
1:PRO_28:CA        S
1:LYS_29:CA        S
1:CYS_30:CA        R
1:ILE_31:CA        S
1:ILE_31:CB        S
1:CYS_32:CA        R
1:ARG_33:CA        S
1:ASN_34:CA        S
1:ASN_35:CA        S
1:ASN_36:CA        S
!
#distance
1:TYR_21:HN        1:ARG_33:O          1.800  2.350 80.00 80.00 1000.000 !VS
1:SER_23:HN        1:ILE_31:O          1.800  2.350 80.00 80.00 1000.000 !S
1:PHE_20:HN        1:CYS_17:O          1.800  2.350 80.00 80.00 1000.000 !VS
1:CYS_17:HN        1:VAL_3:O           1.800  2.350 80.00 80.00 1000.000 !VS
1:CYS_32:HN        1:GLY_7:O           1.800  2.350 80.00 80.00 1000.000 !VS
1:ILE_31:HN        1:SER_23:O          1.800  2.350 80.00 80.00 1000.000 !VS
1:ARG_33:HN        1:TYR_21:O          1.800  2.350 80.00 80.00 1000.000 !VS
1:LYS_29:HN        1:GLN_26:O          1.800  2.350 80.00 80.00 1000.000 !VS
1:CYS_9:HN         1:CYS_30:O          1.800  2.350 80.00 80.00 1000.000 !VS
1:ASN_6:HN         1:CYS_32:O          1.800  2.350 80.00 80.00 1000.000 !VS
1:VAL_3:HN         1:GLU_15:O          1.800  2.350 80.00 80.00 1000.000 !VS
1:GLY_7:HN         1:PRO_4:O           1.800  2.350 80.00 80.00 1000.000 !VS
1:VAL_3:HG1*       1:GLY_7:HA1         3.500 100.000 40.00 40.00 1000.000
1:VAL_3:HG1*       1:GLY_7:HA2         3.500 100.000 40.00 40.00 1000.000
1:ILE_31:HA        1:HIS_8:HN          3.500 100.000 40.00 40.00 1000.000
!
#NOE_distance
1:GLY_19:HN        1:GLU_18:HA        -1.000  2.500  2.500 40.00 40.00 1000.000  0.00
1:CYS_30:HN        1:LYS_29:HA        -1.000  2.500  2.500 40.00 40.00 1000.000  0.00
1:SER_23:HN        1:CYS_22:HA        -1.000  2.500  2.500 40.00 40.00 1000.000  0.00
1:CYS_2:HN         1:GLUn_1:HA        -1.000  2.500  2.500 40.00 40.00 1000.000  0.00
1:ASN_34:HN        1:ARG_33:HA        -1.000  2.500  2.500 40.00 40.00 1000.000  0.00
1:HIS_8:HN         1:GLY_7:HA2        -1.000  2.500  2.500 40.00 40.00 1000.000  0.00
1:ARG_33:HN        1:CYS_32:HA        -1.000  2.500  2.500 40.00 40.00 1000.000  0.00
1:CYS_17:HN        1:CYS_16:HA        -1.000  2.500  2.500 40.00 40.00 1000.000  0.00
1:CYS_32:HN        1:ILE_31:HA        -1.000  2.500  2.500 40.00 40.00 1000.000  0.00
1:TYR_21:HN        1:PHE_20:HA        -1.000  2.500  2.500 40.00 40.00 1000.000  0.00
1:ASN_35:HN        1:ASN_34:HA        -1.000  2.500  2.500 40.00 40.00 1000.000  0.00
1:ASN_35:HN        1:ASN_34:HB*       -1.000  6.500  5.500 40.00 40.00 1000.000  0.00
1:ASN_35:HD21      1:GLY_19:HA1       -1.000  5.500  5.500 40.00 40.00 1000.000  0.00
1:PHE_20:HN        1:GLY_19:HN        -1.000  2.500  2.500 40.00 40.00 1000.000  0.00
1:CYS_22:HN        1:TYR_21:HA        -1.000  2.500  2.500 40.00 40.00 1000.000  0.00
1:GLU_5:HN         1:PRO_4:HA         -1.000  2.500  2.500 40.00 40.00 1000.000  0.00
1:GLU_5:HN         1:PRO_4:HG1        -1.000  5.500  5.500 40.00 40.00 1000.000  0.00
1:GLU_5:HN         1:PRO_4:HG2        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:GLU_18:HN        1:CYS_17:HA        -1.000  2.500  2.500 40.00 40.00 1000.000  0.00
1:GLU_18:HN        1:CYS_17:HBR       -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:CYS_16:HN        1:GLU_15:HA        -1.000  2.500  2.500 40.00 40.00 1000.000  0.00
1:TRP_12:HN        1:ASP_11:HA        -1.000  2.500  2.500 40.00 40.00 1000.000  0.00
1:PHE_20:HD*       1:CYS_17:HBR       -1.000  5.500  3.500 40.00 40.00 1000.000  0.00
1:PHE_20:HD*       1:GLY_19:HA1       -1.000  7.500  5.500 40.00 40.00 1000.000  0.00
1:PHE_20:HD*       1:GLY_19:HA2       -1.000  7.500  5.500 40.00 40.00 1000.000  0.00
1:PHE_20:HD*       1:GLU_18:HA        -1.000  7.500  5.500 40.00 40.00 1000.000  0.00
1:PHE_20:HD*       1:ASN_34:HA        -1.000  5.500  3.500 40.00 40.00 1000.000  0.00
1:GLY_19:HN        1:GLY_19:HA2       -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:GLY_19:HN        1:GLY_19:HA1       -1.000  2.500  2.500 40.00 40.00 1000.000  0.00
1:PHE_20:HE*       1:GLU_5:HB1        -1.000  5.500  3.500 40.00 40.00 1000.000  0.00
1:PHE_20:HE*       1:GLU_5:HB2        -1.000  5.500  3.500 40.00 40.00 1000.000  0.00
1:ASN_36:HN        1:ASN_35:HB1       -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:ASN_36:HN        1:ASN_35:HA        -1.000  5.500  5.500 40.00 40.00 1000.000  0.00
1:LYS_29:HN        1:PRO_27:HA        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:LYS_29:HN        1:PRO_28:HA        -1.000  5.500  5.500 40.00 40.00 1000.000  0.00
1:LYS_29:HN        1:PRO_28:HD*       -1.000  4.500  3.500 40.00 40.00 1000.000  0.00
1:LYS_29:HN        1:PRO_28:HG1       -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:LYS_29:HN        1:PRO_28:HG2       -1.000  5.500  5.500 40.00 40.00 1000.000  0.00
1:ARG_25:HN        1:GLN_26:HN        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:CYS_9:HN         1:ILE_31:HA        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:ARG_25:HN        1:CYS_24:HA        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:GLY_7:HN         1:ASN_6:HN         -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:GLY_7:HN         1:ASN_6:HA         -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:GLY_7:HN         1:ASN_6:HB1        -1.000  5.500  5.500 40.00 40.00 1000.000  0.00
1:GLY_7:HN         1:ASN_6:HB2        -1.000  5.500  5.500 40.00 40.00 1000.000  0.00
1:ASN_35:HN        1:PHE_20:HA        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:PHE_20:HE*       1:GLU_5:HG1        -1.000  5.500  3.500 40.00 40.00 1000.000  0.00
1:GLY_19:HN        1:GLU_18:HG*       -1.000  4.500  3.500 40.00 40.00 1000.000  0.00
1:GLY_19:HN        1:GLU_18:HN        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:PHE_20:HN        1:GLU_18:HA        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:PHE_20:HD*       1:ARG_33:HA        -1.000  7.500  5.500 40.00 40.00 1000.000  0.00
1:ASN_6:HN         1:GLU_5:HG2        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:CYS_17:HN        1:VAL_3:HB         -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:PHE_20:HN        1:GLY_19:HA2       -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:TYR_13:HN        1:ASP_14:HN        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:PHE_20:HD*       1:ASN_34:HN        -1.000  5.500  3.500 40.00 40.00 1000.000  0.00
1:VAL_3:HN         1:CYS_16:HA        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:PHE_20:HZ        1:GLU_5:HB1        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:PHE_20:HN        1:GLY_19:HA1       -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:TYR_21:HE*       1:ARG_33:HN        -1.000  7.500  5.500 40.00 40.00 1000.000  0.00
1:ASN_6:HN         1:GLU_5:HG1        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:TYR_21:HE*       1:ARG_33:HBS       -1.000  5.500  3.500 40.00 40.00 1000.000  0.00
1:SER_23:HN        1:CYS_32:HA        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:VAL_3:HN         1:CYS_17:HN        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:GLN_26:HN        1:CYS_24:HA        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:ILE_31:HN        1:CYS_30:HBR       -1.000  2.500  2.500 40.00 40.00 1000.000  0.00
1:VAL_3:HN         1:CYS_2:HB2        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:VAL_3:HN         1:CYS_2:HB1        -1.000  2.500  2.500 40.00 40.00 1000.000  0.00
1:ILE_31:HN        1:CYS_30:HBS       -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:ILE_31:HN        1:CYS_30:HA        -1.000  2.500  2.500 40.00 40.00 1000.000  0.00
1:ILE_31:HN        1:SER_23:HBR       -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:GLY_7:HN         1:VAL_3:HG2*       -1.000  4.500  3.500 40.00 40.00 1000.000  0.00
1:TYR_21:HE*       1:ARG_33:HG*       -1.000  6.500  3.500 40.00 40.00 1000.000  0.00
1:TYR_21:HD*       1:CYS_22:HN        -1.000  5.500  3.500 40.00 40.00 1000.000  0.00
1:TYR_21:HD*       1:ARG_33:HN        -1.000  7.500  5.500 40.00 40.00 1000.000  0.00
1:TYR_21:HE*       1:ARG_33:HBR       -1.000  7.500  5.500 40.00 40.00 1000.000  0.00
1:ARG_33:HN        1:PHE_20:HB2       -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:ARG_33:NE        1:SER_23:HBS       -1.000  6.500  6.500 40.00 40.00 1000.000  0.00
1:ARG_33:NE        1:SER_23:HBR       -1.000  6.500  6.500 40.00 40.00 1000.000  0.00
1:ARG_33:HBS       1:SER_23:HBR       -1.000  5.500  5.500 40.00 40.00 1000.000  0.00
1:ARG_33:HBS       1:SER_23:HBS       -1.000  5.500  5.500 40.00 40.00 1000.000  0.00
1:ARG_33:HBR       1:SER_23:HBR       -1.000  5.500  5.500 40.00 40.00 1000.000  0.00
1:ARG_33:HBR       1:SER_23:HBS       -1.000  5.500  5.500 40.00 40.00 1000.000  0.00
1:ARG_33:HG*       1:SER_23:HBR       -1.000  4.500  3.500 40.00 40.00 1000.000  0.00
1:ARG_33:HG*       1:SER_23:HBS       -1.000  4.500  3.500 40.00 40.00 1000.000  0.00
1:PHE_20:HD*       1:ASN_34:HB*       -1.000  8.500  5.500 40.00 40.00 1000.000  0.00
1:ARG_33:HN        1:PHE_20:HB1       -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:SER_23:HN        1:ARG_33:HBS       -1.000  5.500  5.500 40.00 40.00 1000.000  0.00
1:SER_23:HN        1:ARG_33:HG*       -1.000  4.500  3.500 40.00 40.00 1000.000  0.00
1:ARG_33:HN        1:CYS_22:HA        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:PHE_20:HD*       1:CYS_17:HN        -1.000  5.500  3.500 40.00 40.00 1000.000  0.00
1:SER_23:HN        1:ARG_33:HN        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:CYS_32:HN        1:GLY_7:HN         -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:TYR_13:HD*       1:ARG_10:HD*       -1.000  6.500  3.500 40.00 40.00 1000.000  0.00
1:CYS_32:HN        1:ASN_6:HN         -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:CYS_17:HN        1:VAL_3:HG1*       -1.000  6.500  5.500 40.00 40.00 1000.000  0.00
1:TYR_21:HN        1:ASN_34:HA        -1.000  5.500  5.500 40.00 40.00 1000.000  0.00
1:TYR_21:HN        1:ARG_33:HN        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:CYS_32:HN        1:ASN_6:HA         -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:ASP_11:HN        1:ARG_10:HD*       -1.000  4.500  3.500 40.00 40.00 1000.000  0.00
1:ASP_11:HN        1:ARG_10:HA        -1.000  2.500  2.500 40.00 40.00 1000.000  0.00
1:ASN_6:HN         1:ILE_31:HG2*      -1.000  4.500  3.500 40.00 40.00 1000.000  0.00
1:ASN_6:HN         1:ILE_31:HD1*      -1.000  4.500  3.500 40.00 40.00 1000.000  0.00
1:TYR_13:HD*       1:ARG_10:HB*       -1.000  6.500  3.500 40.00 40.00 1000.000  0.00
1:PHE_20:HD*       1:ASN_35:HN        -1.000  5.500  3.500 40.00 40.00 1000.000  0.00
1:PHE_20:HD*       1:CYS_17:HBS       -1.000  5.500  3.500 40.00 40.00 1000.000  0.00
1:PHE_20:HD*       1:GLU_5:HB1        -1.000  7.500  5.500 40.00 40.00 1000.000  0.00
1:PHE_20:HD*       1:GLU_5:HB2        -1.000  7.500  5.500 40.00 40.00 1000.000  0.00
1:PHE_20:HD*       1:GLU_5:HA         -1.000  5.500  3.500 40.00 40.00 1000.000  0.00
1:PHE_20:HD*       1:GLU_5:HG1        -1.000  5.500  3.500 40.00 40.00 1000.000  0.00
1:PHE_20:HD*       1:GLU_5:HG2        -1.000  7.500  5.500 40.00 40.00 1000.000  0.00
1:TYR_13:HN        1:ASP_11:HA        -1.000  5.500  5.500 40.00 40.00 1000.000  0.00
1:CYS_17:HN        1:VAL_3:HG2*       -1.000  6.500  5.500 40.00 40.00 1000.000  0.00
1:PHE_20:HE*       1:GLU_5:HG2        -1.000  7.500  5.500 40.00 40.00 1000.000  0.00
1:CYS_9:HN         1:CYS_30:HBS       -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:CYS_9:HN         1:CYS_30:HBR       -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:CYS_17:HBR       1:CYS_2:HB2        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:CYS_17:HBR       1:CYS_2:HB1        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:GLU_18:HN        1:CYS_2:HB1        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:GLU_18:HN        1:CYS_2:HB2        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:GLY_19:HN        1:GLU_18:HB1       -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:GLY_19:HN        1:GLU_18:HB2       -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:SER_23:HN        1:CYS_16:HB1       -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:SER_23:HN        1:CYS_16:HB2       -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:SER_23:HN        1:CYS_30:HA        -1.000  5.500  5.500 40.00 40.00 1000.000  0.00
1:TYR_21:HE*       1:SER_23:HA        -1.000  7.500  5.500 40.00 40.00 1000.000  0.00
1:TYR_21:HD*       1:SER_23:HA        -1.000  5.500  3.500 40.00 40.00 1000.000  0.00
1:ARG_25:HN        1:CYS_30:HA        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:TYR_21:HD*       1:SER_23:HBS       -1.000  5.500  3.500 40.00 40.00 1000.000  0.00
1:TYR_21:HD*       1:SER_23:HBR       -1.000  7.500  5.500 40.00 40.00 1000.000  0.00
1:CYS_17:HN        1:CYS_16:HB2       -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:ASP_14:HN        1:TYR_13:HB1       -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:CYS_32:HN        1:ILE_31:HB        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:ASN_6:HN         1:GLU_5:HB2        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:ASN_6:HN         1:GLU_5:HA         -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:ASN_6:HN         1:GLU_5:HN         -1.000  5.500  5.500 40.00 40.00 1000.000  0.00
1:ASN_6:HD22       1:GLU_5:HG2        -1.000  5.500  5.500 40.00 40.00 1000.000  0.00
1:ASN_6:HD21       1:GLU_5:HG2        -1.000  5.500  5.500 40.00 40.00 1000.000  0.00
1:ASN_6:HD21       1:GLU_5:HG1        -1.000  5.500  5.500 40.00 40.00 1000.000  0.00
1:TYR_21:HD*       1:PHE_20:HA        -1.000  7.500  5.500 40.00 40.00 1000.000  0.00
1:CYS_24:HN        1:SER_23:HA        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:PHE_20:HZ        1:GLU_5:HG1        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:ARG_25:HN        1:CYS_24:HN        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:GLN_26:HN        1:ARG_25:HA        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:TYR_21:HN        1:PHE_20:HB1       -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:ARG_33:HN        1:CYS_32:HB1       -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:TRP_12:HN        1:ASP_11:HN        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:TRP_12:HD1       1:ASP_11:HB1       -1.000  5.500  5.500 40.00 40.00 1000.000  0.00
1:TRP_12:HD1       1:ASP_11:HB2       -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:ARG_33:HN        1:CYS_32:HB2       -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:ASN_6:HN         1:GLU_5:HB1        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:ILE_31:HN        1:SER_23:HN        -1.000  5.500  5.500 40.00 40.00 1000.000  0.00
1:CYS_32:HN        1:ILE_31:HG2*      -1.000  4.500  3.500 40.00 40.00 1000.000  0.00
1:HIS_8:HN         1:GLY_7:HA1        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:HIS_8:HD2        1:ILE_31:HG2*      -1.000  4.500  3.500 40.00 40.00 1000.000  0.00
1:HIS_8:HD2        1:ILE_31:HD1*      -1.000  6.500  5.500 40.00 40.00 1000.000  0.00
1:TYR_13:HN        1:TRP_12:HB1       -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:TYR_13:HN        1:TRP_12:HB2       -1.000  5.500  5.500 40.00 40.00 1000.000  0.00
1:PHE_20:HZ        1:GLU_5:HB2        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:ARG_25:HN        1:CYS_24:HB*       -1.000  6.500  5.500 40.00 40.00 1000.000  0.00
1:CYS_17:HN        1:CYS_16:HB1       -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:PHE_20:HD*       1:TYR_21:HN        -1.000  5.500  3.500 40.00 40.00 1000.000  0.00
1:CYS_32:HN        1:ILE_31:HD1*      -1.000  4.500  3.500 40.00 40.00 1000.000  0.00
1:CYS_32:HN        1:ILE_31:HG12      -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:PHE_20:HE*       1:GLU_5:HA         -1.000  7.500  5.500 40.00 40.00 1000.000  0.00
1:ARG_10:HN        1:ASP_11:HN        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:PHE_20:HE*       1:ASN_34:HN        -1.000  7.500  5.500 40.00 40.00 1000.000  0.00
1:CYS_30:HN        1:ILE_31:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:ASP_14:HN        1:TYR_13:HB2       -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:ASP_14:HN        1:TYR_13:HA        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:CYS_32:HN        1:ARG_33:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:TYR_13:HD*       1:ASP_14:HN        -1.000  7.000  5.000 40.00 40.00 1000.000  0.00
1:CYS_17:HN        1:PRO_4:HA         -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:CYS_16:HA        1:VAL_3:HB         -1.000  2.500  2.500 40.00 40.00 1000.000  0.00
1:CYS_17:HA        1:CYS_2:HB2        -1.000  2.500  2.500 40.00 40.00 1000.000  0.00
1:GLY_7:HA1        1:VAL_3:HG2*       -1.000  3.500  2.500 40.00 40.00 1000.000  0.00
1:PRO_28:HA        1:PRO_27:HB2       -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:ASN_34:HA        1:PHE_20:HA        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:CYS_17:HA        1:CYS_2:HB1        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:CYS_24:HA        1:CYS_30:HA        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:CYS_24:HA        1:CYS_30:HBR       -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:CYS_30:HA        1:CYS_24:HB*       -1.000  4.500  3.500 40.00 40.00 1000.000  0.00
1:CYS_24:HA        1:CYS_30:HBS       -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:GLY_7:HA2        1:VAL_3:HG2*       -1.000  4.500  3.500 40.00 40.00 1000.000  0.00
1:ILE_31:HA        1:HIS_8:HA         -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:ILE_31:HB        1:ASN_6:HA         -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:VAL_3:HG1*       1:CYS_16:HA        -1.000  4.500  3.500 40.00 40.00 1000.000  0.00
1:VAL_3:HG2*       1:CYS_16:HA        -1.000  4.500  3.500 40.00 40.00 1000.000  0.00
1:PRO_27:HA        1:PRO_28:HA        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:CYS_22:HA        1:CYS_32:HA        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:PRO_4:HD1        1:VAL_3:HA         -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:PRO_4:HD2        1:VAL_3:HA         -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:PRO_4:HA         1:CYS_17:HBS       -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:PRO_4:HA         1:CYS_17:HBR       -1.000  5.500  5.500 40.00 40.00 1000.000  0.00
1:ILE_31:HD1*      1:ASN_6:HA         -1.000  4.500  3.500 40.00 40.00 1000.000  0.00
1:ILE_31:HD1*      1:ASN_6:HB1        -1.000  6.000  5.000 40.00 40.00 1000.000  0.00
1:ILE_31:HD1*      1:ASN_6:HB2        -1.000  6.000  5.000 40.00 40.00 1000.000  0.00
1:ILE_31:HG2*      1:ASN_6:HA         -1.000  6.000  5.000 40.00 40.00 1000.000  0.00
1:ILE_31:HG2*      1:ASN_6:HB1        -1.000  6.000  5.000 40.00 40.00 1000.000  0.00
1:ILE_31:HG2*      1:ASN_6:HB2        -1.000  6.000  5.000 40.00 40.00 1000.000  0.00
1:ILE_31:HA        1:ASN_6:HA         -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:CYS_9:HB1        1:VAL_3:HG1*       -1.000  6.000  5.000 40.00 40.00 1000.000  0.00
1:CYS_9:HB1        1:VAL_3:HG2*       -1.000  5.000  4.000 40.00 40.00 1000.000  0.00
1:CYS_9:HB2        1:VAL_3:HG1*       -1.000  6.000  5.000 40.00 40.00 1000.000  0.00
1:CYS_9:HB2        1:VAL_3:HG2*       -1.000  6.000  5.000 40.00 40.00 1000.000  0.00
1:CYS_30:HBS       1:CYS_24:HB*       -1.000  5.000  4.000 40.00 40.00 1000.000  0.00
1:PHE_20:HB2       1:CYS_32:HB1       -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:PHE_20:HB2       1:CYS_32:HB2       -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:PHE_20:HB1       1:CYS_32:HB1       -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:PHE_20:HB1       1:CYS_32:HB2       -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:PRO_27:HG*       1:CYS_24:HB*       -1.000  7.000  5.000 40.00 40.00 1000.000  0.00
1:PRO_27:HD*       1:CYS_24:HB*       -1.000  7.000  5.000 40.00 40.00 1000.000  0.00
1:PRO_27:HA        1:CYS_24:HB*       -1.000  6.000  5.000 40.00 40.00 1000.000  0.00
1:PRO_27:HB1       1:CYS_24:HB*       -1.000  6.000  5.000 40.00 40.00 1000.000  0.00
1:VAL_3:HG1*       1:GLU_15:HA        -1.000  6.000  5.000 40.00 40.00 1000.000  0.00
1:VAL_3:HG1*       1:ASP_14:HB1       -1.000  6.000  5.000 40.00 40.00 1000.000  0.00
1:VAL_3:HG1*       1:ASP_14:HB2       -1.000  6.000  5.000 40.00 40.00 1000.000  0.00
1:CYS_32:HB2       1:VAL_3:HG2*       -1.000  6.000  5.000 40.00 40.00 1000.000  0.00
1:CYS_16:HN        1:CYS_16:HA        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:CYS_16:HN        1:CYS_16:HB2       -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:CYS_16:HN        1:CYS_16:HB1       -1.000  2.500  2.500 40.00 40.00 1000.000  0.00
1:CYS_17:HN        1:CYS_17:HBS       -1.000  2.500  2.500 40.00 40.00 1000.000  0.00
1:CYS_17:HN        1:CYS_17:HBR       -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:CYS_17:HN        1:CYS_17:HA        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:CYS_22:HN        1:CYS_22:HA        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:CYS_22:HN        1:CYS_22:HB1       -1.000  2.500  2.500 40.00 40.00 1000.000  0.00
1:CYS_22:HN        1:CYS_22:HB2       -1.000  2.500  2.500 40.00 40.00 1000.000  0.00
1:CYS_2:HN         1:CYS_2:HA         -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:CYS_2:HN         1:CYS_2:HB1        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:CYS_2:HN         1:CYS_2:HB2        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:CYS_30:HN        1:CYS_30:HA        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:CYS_30:HN        1:CYS_30:HBS       -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:CYS_30:HN        1:CYS_30:HBR       -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:CYS_32:HN        1:CYS_32:HA        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:CYS_32:HN        1:CYS_32:HB1       -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:CYS_32:HN        1:CYS_32:HB2       -1.000  3.000  3.000 40.00 40.00 1000.000  0.00
1:CYS_9:HN         1:CYS_9:HA         -1.000  3.500  3.500 40.00 40.00 1000.000  0.00 ! xpeak includes 8-9
1:CYS_9:HN         1:CYS_9:HB1        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:CYS_9:HN         1:CYS_9:HB2        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:ASP_11:HN        1:ASP_11:HA        -1.000  5.500  5.500 40.00 40.00 1000.000  0.00
1:ASP_11:HN        1:ASP_11:HB1       -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:ASP_11:HN        1:ASP_11:HB2       -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:ASP_14:HN        1:ASP_14:HA        -1.000  5.500  5.500 40.00 40.00 1000.000  0.00
1:ASP_14:HN        1:ASP_14:HB1       -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:ASP_14:HN        1:ASP_14:HB2       -1.000  5.500  5.500 40.00 40.00 1000.000  0.00
1:GLU_15:HN        1:GLU_15:HA        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:GLU_5:HN         1:GLU_5:HA         -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:GLU_5:HN         1:GLU_5:HB1        -1.000  2.500  2.500 40.00 40.00 1000.000  0.00
1:GLU_5:HN         1:GLU_5:HB2        -1.000  2.500  2.500 40.00 40.00 1000.000  0.00
1:GLU_5:HN         1:GLU_5:HG1        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:GLU_5:HN         1:GLU_5:HG2        -1.000  5.500  5.500 40.00 40.00 1000.000  0.00
1:ASN_6:HN         1:ASN_6:HA         -1.000  2.500  2.500 40.00 40.00 1000.000  0.00
1:ASN_6:HN         1:ASN_6:HB1        -1.000  5.500  5.500 40.00 40.00 1000.000  0.00
1:ASN_6:HN         1:ASN_6:HB2        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:ASN_6:HD22       1:ASN_6:HB1        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:ASN_6:HD22       1:ASN_6:HB2        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:ASN_6:HD22       1:ASN_6:HA         -1.000  5.500  5.500 40.00 40.00 1000.000  0.00
!
#mixing_times
-9.990000E+02 
!
#NMR_dihedral
1:GLUn_1:CA        1:GLUn_1:C         1:CYS_2:N          1:CYS_2:CA         170.000 -170.000 80.00 80.00 1000.000
1:GLUn_1:O         1:GLUn_1:C         1:CYS_2:N          1:CYS_2:HN         170.000 -170.000 80.00 80.00 1000.000
1:GLUn_1:CA        1:GLUn_1:C         1:CYS_2:N          1:CYS_2:HN         -10.000 10.000 80.00 80.00 1000.000
1:GLUn_1:O         1:GLUn_1:C         1:CYS_2:N          1:CYS_2:CA         -10.000 10.000 80.00 80.00 1000.000
1:CYS_2:CA         1:CYS_2:C          1:VAL_3:N          1:VAL_3:CA         170.000 -170.000 80.00 80.00 1000.000
1:CYS_2:O          1:CYS_2:C          1:VAL_3:N          1:VAL_3:HN         170.000 -170.000 80.00 80.00 1000.000
1:CYS_2:CA         1:CYS_2:C          1:VAL_3:N          1:VAL_3:HN         -10.000 10.000 80.00 80.00 1000.000
1:CYS_2:O          1:CYS_2:C          1:VAL_3:N          1:VAL_3:CA         -10.000 10.000 80.00 80.00 1000.000
1:VAL_3:CA         1:VAL_3:C          1:PRO_4:N          1:PRO_4:CA         170.000 -170.000 80.00 80.00 1000.000
1:VAL_3:O          1:VAL_3:C          1:PRO_4:N          1:PRO_4:CD         170.000 -170.000 80.00 80.00 1000.000
1:VAL_3:CA         1:VAL_3:C          1:PRO_4:N          1:PRO_4:CD         -10.000 10.000 80.00 80.00 1000.000
1:VAL_3:O          1:VAL_3:C          1:PRO_4:N          1:PRO_4:CA         -10.000 10.000 80.00 80.00 1000.000
1:PRO_4:CA         1:PRO_4:C          1:GLU_5:N          1:GLU_5:CA         170.000 -170.000 80.00 80.00 1000.000
1:PRO_4:O          1:PRO_4:C          1:GLU_5:N          1:GLU_5:HN         170.000 -170.000 80.00 80.00 1000.000
1:PRO_4:CA         1:PRO_4:C          1:GLU_5:N          1:GLU_5:HN         -10.000 10.000 80.00 80.00 1000.000
1:PRO_4:O          1:PRO_4:C          1:GLU_5:N          1:GLU_5:CA         -10.000 10.000 80.00 80.00 1000.000
1:GLU_5:CA         1:GLU_5:C          1:ASN_6:N          1:ASN_6:CA         170.000 -170.000 80.00 80.00 1000.000
1:GLU_5:O          1:GLU_5:C          1:ASN_6:N          1:ASN_6:HN         170.000 -170.000 80.00 80.00 1000.000
1:GLU_5:CA         1:GLU_5:C          1:ASN_6:N          1:ASN_6:HN         -10.000 10.000 80.00 80.00 1000.000
1:GLU_5:O          1:GLU_5:C          1:ASN_6:N          1:ASN_6:CA         -10.000 10.000 80.00 80.00 1000.000
1:ASN_6:CA         1:ASN_6:C          1:GLY_7:N          1:GLY_7:CA         170.000 -170.000 80.00 80.00 1000.000
1:ASN_6:O          1:ASN_6:C          1:GLY_7:N          1:GLY_7:HN         170.000 -170.000 80.00 80.00 1000.000
1:ASN_6:CA         1:ASN_6:C          1:GLY_7:N          1:GLY_7:HN         -10.000 10.000 80.00 80.00 1000.000
1:ASN_6:O          1:ASN_6:C          1:GLY_7:N          1:GLY_7:CA         -10.000 10.000 80.00 80.00 1000.000
1:GLY_7:CA         1:GLY_7:C          1:HIS_8:N          1:HIS_8:CA         170.000 -170.000 80.00 80.00 1000.000
1:GLY_7:O          1:GLY_7:C          1:HIS_8:N          1:HIS_8:HN         170.000 -170.000 80.00 80.00 1000.000
1:GLY_7:CA         1:GLY_7:C          1:HIS_8:N          1:HIS_8:HN         -10.000 10.000 80.00 80.00 1000.000
1:GLY_7:O          1:GLY_7:C          1:HIS_8:N          1:HIS_8:CA         -10.000 10.000 80.00 80.00 1000.000
1:HIS_8:CA         1:HIS_8:C          1:CYS_9:N          1:CYS_9:CA         170.000 -170.000 80.00 80.00 1000.000
1:HIS_8:O          1:HIS_8:C          1:CYS_9:N          1:CYS_9:HN         170.000 -170.000 80.00 80.00 1000.000
1:HIS_8:CA         1:HIS_8:C          1:CYS_9:N          1:CYS_9:HN         -10.000 10.000 80.00 80.00 1000.000
1:HIS_8:O          1:HIS_8:C          1:CYS_9:N          1:CYS_9:CA         -10.000 10.000 80.00 80.00 1000.000
1:CYS_9:CA         1:CYS_9:C          1:ARG_10:N         1:ARG_10:CA        170.000 -170.000 80.00 80.00 1000.000
1:CYS_9:O          1:CYS_9:C          1:ARG_10:N         1:ARG_10:HN        170.000 -170.000 80.00 80.00 1000.000
1:CYS_9:CA         1:CYS_9:C          1:ARG_10:N         1:ARG_10:HN        -10.000 10.000 80.00 80.00 1000.000
1:CYS_9:O          1:CYS_9:C          1:ARG_10:N         1:ARG_10:CA        -10.000 10.000 80.00 80.00 1000.000
1:ARG_10:CA        1:ARG_10:C         1:ASP_11:N         1:ASP_11:CA        170.000 -170.000 80.00 80.00 1000.000
1:ARG_10:O         1:ARG_10:C         1:ASP_11:N         1:ASP_11:HN        170.000 -170.000 80.00 80.00 1000.000
1:ARG_10:CA        1:ARG_10:C         1:ASP_11:N         1:ASP_11:HN        -10.000 10.000 80.00 80.00 1000.000
1:ARG_10:O         1:ARG_10:C         1:ASP_11:N         1:ASP_11:CA        -10.000 10.000 80.00 80.00 1000.000
1:ASP_11:CA        1:ASP_11:C         1:TRP_12:N         1:TRP_12:CA        170.000 -170.000 80.00 80.00 1000.000
1:ASP_11:O         1:ASP_11:C         1:TRP_12:N         1:TRP_12:HN        170.000 -170.000 80.00 80.00 1000.000
1:ASP_11:CA        1:ASP_11:C         1:TRP_12:N         1:TRP_12:HN        -10.000 10.000 80.00 80.00 1000.000
1:ASP_11:O         1:ASP_11:C         1:TRP_12:N         1:TRP_12:CA        -10.000 10.000 80.00 80.00 1000.000
1:TRP_12:CA        1:TRP_12:C         1:TYR_13:N         1:TYR_13:CA        170.000 -170.000 80.00 80.00 1000.000
1:TRP_12:O         1:TRP_12:C         1:TYR_13:N         1:TYR_13:HN        170.000 -170.000 80.00 80.00 1000.000
1:TRP_12:CA        1:TRP_12:C         1:TYR_13:N         1:TYR_13:HN        -10.000 10.000 80.00 80.00 1000.000
1:TRP_12:O         1:TRP_12:C         1:TYR_13:N         1:TYR_13:CA        -10.000 10.000 80.00 80.00 1000.000
1:TYR_13:CA        1:TYR_13:C         1:ASP_14:N         1:ASP_14:CA        170.000 -170.000 80.00 80.00 1000.000
1:TYR_13:O         1:TYR_13:C         1:ASP_14:N         1:ASP_14:HN        170.000 -170.000 80.00 80.00 1000.000
1:TYR_13:CA        1:TYR_13:C         1:ASP_14:N         1:ASP_14:HN        -10.000 10.000 80.00 80.00 1000.000
1:TYR_13:O         1:TYR_13:C         1:ASP_14:N         1:ASP_14:CA        -10.000 10.000 80.00 80.00 1000.000
1:ASP_14:CA        1:ASP_14:C         1:GLU_15:N         1:GLU_15:CA        170.000 -170.000 80.00 80.00 1000.000
1:ASP_14:O         1:ASP_14:C         1:GLU_15:N         1:GLU_15:HN        170.000 -170.000 80.00 80.00 1000.000
1:ASP_14:CA        1:ASP_14:C         1:GLU_15:N         1:GLU_15:HN        -10.000 10.000 80.00 80.00 1000.000
1:ASP_14:O         1:ASP_14:C         1:GLU_15:N         1:GLU_15:CA        -10.000 10.000 80.00 80.00 1000.000
1:GLU_15:CA        1:GLU_15:C         1:CYS_16:N         1:CYS_16:CA        170.000 -170.000 80.00 80.00 1000.000
1:GLU_15:O         1:GLU_15:C         1:CYS_16:N         1:CYS_16:HN        170.000 -170.000 80.00 80.00 1000.000
1:GLU_15:CA        1:GLU_15:C         1:CYS_16:N         1:CYS_16:HN        -10.000 10.000 80.00 80.00 1000.000
1:GLU_15:O         1:GLU_15:C         1:CYS_16:N         1:CYS_16:CA        -10.000 10.000 80.00 80.00 1000.000
1:CYS_16:CA        1:CYS_16:C         1:CYS_17:N         1:CYS_17:CA        170.000 -170.000 80.00 80.00 1000.000
1:CYS_16:O         1:CYS_16:C         1:CYS_17:N         1:CYS_17:HN        170.000 -170.000 80.00 80.00 1000.000
1:CYS_16:CA        1:CYS_16:C         1:CYS_17:N         1:CYS_17:HN        -10.000 10.000 80.00 80.00 1000.000
1:CYS_16:O         1:CYS_16:C         1:CYS_17:N         1:CYS_17:CA        -10.000 10.000 80.00 80.00 1000.000
1:CYS_17:CA        1:CYS_17:C         1:GLU_18:N         1:GLU_18:CA        170.000 -170.000 80.00 80.00 1000.000
1:CYS_17:O         1:CYS_17:C         1:GLU_18:N         1:GLU_18:HN        170.000 -170.000 80.00 80.00 1000.000
1:CYS_17:CA        1:CYS_17:C         1:GLU_18:N         1:GLU_18:HN        -10.000 10.000 80.00 80.00 1000.000
1:CYS_17:O         1:CYS_17:C         1:GLU_18:N         1:GLU_18:CA        -10.000 10.000 80.00 80.00 1000.000
1:GLU_18:CA        1:GLU_18:C         1:GLY_19:N         1:GLY_19:CA        170.000 -170.000 80.00 80.00 1000.000
1:GLU_18:O         1:GLU_18:C         1:GLY_19:N         1:GLY_19:HN        170.000 -170.000 80.00 80.00 1000.000
1:GLU_18:CA        1:GLU_18:C         1:GLY_19:N         1:GLY_19:HN        -10.000 10.000 80.00 80.00 1000.000
1:GLU_18:O         1:GLU_18:C         1:GLY_19:N         1:GLY_19:CA        -10.000 10.000 80.00 80.00 1000.000
1:GLY_19:CA        1:GLY_19:C         1:PHE_20:N         1:PHE_20:CA        170.000 -170.000 80.00 80.00 1000.000
1:GLY_19:O         1:GLY_19:C         1:PHE_20:N         1:PHE_20:HN        170.000 -170.000 80.00 80.00 1000.000
1:GLY_19:CA        1:GLY_19:C         1:PHE_20:N         1:PHE_20:HN        -10.000 10.000 80.00 80.00 1000.000
1:GLY_19:O         1:GLY_19:C         1:PHE_20:N         1:PHE_20:CA        -10.000 10.000 80.00 80.00 1000.000
1:PHE_20:CA        1:PHE_20:C         1:TYR_21:N         1:TYR_21:CA        170.000 -170.000 80.00 80.00 1000.000
1:PHE_20:O         1:PHE_20:C         1:TYR_21:N         1:TYR_21:HN        170.000 -170.000 80.00 80.00 1000.000
1:PHE_20:CA        1:PHE_20:C         1:TYR_21:N         1:TYR_21:HN        -10.000 10.000 80.00 80.00 1000.000
1:PHE_20:O         1:PHE_20:C         1:TYR_21:N         1:TYR_21:CA        -10.000 10.000 80.00 80.00 1000.000
1:TYR_21:CA        1:TYR_21:C         1:CYS_22:N         1:CYS_22:CA        170.000 -170.000 80.00 80.00 1000.000
1:TYR_21:O         1:TYR_21:C         1:CYS_22:N         1:CYS_22:HN        170.000 -170.000 80.00 80.00 1000.000
1:TYR_21:CA        1:TYR_21:C         1:CYS_22:N         1:CYS_22:HN        -10.000 10.000 80.00 80.00 1000.000
1:TYR_21:O         1:TYR_21:C         1:CYS_22:N         1:CYS_22:CA        -10.000 10.000 80.00 80.00 1000.000
1:CYS_22:CA        1:CYS_22:C         1:SER_23:N         1:SER_23:CA        170.000 -170.000 80.00 80.00 1000.000
1:CYS_22:O         1:CYS_22:C         1:SER_23:N         1:SER_23:HN        170.000 -170.000 80.00 80.00 1000.000
1:CYS_22:CA        1:CYS_22:C         1:SER_23:N         1:SER_23:HN        -10.000 10.000 80.00 80.00 1000.000
1:CYS_22:O         1:CYS_22:C         1:SER_23:N         1:SER_23:CA        -10.000 10.000 80.00 80.00 1000.000
1:SER_23:CA        1:SER_23:C         1:CYS_24:N         1:CYS_24:CA        170.000 -170.000 80.00 80.00 1000.000
1:SER_23:O         1:SER_23:C         1:CYS_24:N         1:CYS_24:HN        170.000 -170.000 80.00 80.00 1000.000
1:SER_23:CA        1:SER_23:C         1:CYS_24:N         1:CYS_24:HN        -10.000 10.000 80.00 80.00 1000.000
1:SER_23:O         1:SER_23:C         1:CYS_24:N         1:CYS_24:CA        -10.000 10.000 80.00 80.00 1000.000
1:CYS_24:CA        1:CYS_24:C         1:ARG_25:N         1:ARG_25:CA        170.000 -170.000 80.00 80.00 1000.000
1:CYS_24:O         1:CYS_24:C         1:ARG_25:N         1:ARG_25:HN        170.000 -170.000 80.00 80.00 1000.000
1:CYS_24:CA        1:CYS_24:C         1:ARG_25:N         1:ARG_25:HN        -10.000 10.000 80.00 80.00 1000.000
1:CYS_24:O         1:CYS_24:C         1:ARG_25:N         1:ARG_25:CA        -10.000 10.000 80.00 80.00 1000.000
1:ARG_25:CA        1:ARG_25:C         1:GLN_26:N         1:GLN_26:CA        170.000 -170.000 80.00 80.00 1000.000
1:ARG_25:O         1:ARG_25:C         1:GLN_26:N         1:GLN_26:HN        170.000 -170.000 80.00 80.00 1000.000
1:ARG_25:CA        1:ARG_25:C         1:GLN_26:N         1:GLN_26:HN        -10.000 10.000 80.00 80.00 1000.000
1:ARG_25:O         1:ARG_25:C         1:GLN_26:N         1:GLN_26:CA        -10.000 10.000 80.00 80.00 1000.000
1:GLN_26:CA        1:GLN_26:C         1:PRO_27:N         1:PRO_27:CA        170.000 -170.000 80.00 80.00 1000.000
1:GLN_26:O         1:GLN_26:C         1:PRO_27:N         1:PRO_27:CD        170.000 -170.000 80.00 80.00 1000.000
1:GLN_26:CA        1:GLN_26:C         1:PRO_27:N         1:PRO_27:CD        -10.000 10.000 80.00 80.00 1000.000
1:GLN_26:O         1:GLN_26:C         1:PRO_27:N         1:PRO_27:CA        -10.000 10.000 80.00 80.00 1000.000
1:PRO_27:CA        1:PRO_27:C         1:PRO_28:N         1:PRO_28:CA        -10.000 10.000 80.00 80.00 1000.000
1:PRO_27:O         1:PRO_27:C         1:PRO_28:N         1:PRO_28:CD        -10.000 10.000 80.00 80.00 1000.000
1:PRO_27:CA        1:PRO_27:C         1:PRO_28:N         1:PRO_28:CD        170.000 -170.000 80.00 80.00 1000.000
1:PRO_27:O         1:PRO_27:C         1:PRO_28:N         1:PRO_28:CA        170.000 -170.000 80.00 80.00 1000.000
1:PRO_28:CA        1:PRO_28:C         1:LYS_29:N         1:LYS_29:CA        170.000 -170.000 80.00 80.00 1000.000
1:PRO_28:O         1:PRO_28:C         1:LYS_29:N         1:LYS_29:HN        170.000 -170.000 80.00 80.00 1000.000
1:PRO_28:CA        1:PRO_28:C         1:LYS_29:N         1:LYS_29:HN        -10.000 10.000 80.00 80.00 1000.000
1:PRO_28:O         1:PRO_28:C         1:LYS_29:N         1:LYS_29:CA        -10.000 10.000 80.00 80.00 1000.000
1:LYS_29:CA        1:LYS_29:C         1:CYS_30:N         1:CYS_30:CA        170.000 -170.000 80.00 80.00 1000.000
1:LYS_29:O         1:LYS_29:C         1:CYS_30:N         1:CYS_30:HN        170.000 -170.000 80.00 80.00 1000.000
1:LYS_29:CA        1:LYS_29:C         1:CYS_30:N         1:CYS_30:HN        -10.000 10.000 80.00 80.00 1000.000
1:LYS_29:O         1:LYS_29:C         1:CYS_30:N         1:CYS_30:CA        -10.000 10.000 80.00 80.00 1000.000
1:CYS_30:CA        1:CYS_30:C         1:ILE_31:N         1:ILE_31:CA        170.000 -170.000 80.00 80.00 1000.000
1:CYS_30:O         1:CYS_30:C         1:ILE_31:N         1:ILE_31:HN        170.000 -170.000 80.00 80.00 1000.000
1:CYS_30:CA        1:CYS_30:C         1:ILE_31:N         1:ILE_31:HN        -10.000 10.000 80.00 80.00 1000.000
1:CYS_30:O         1:CYS_30:C         1:ILE_31:N         1:ILE_31:CA        -10.000 10.000 80.00 80.00 1000.000
1:ILE_31:CA        1:ILE_31:C         1:CYS_32:N         1:CYS_32:CA        170.000 -170.000 80.00 80.00 1000.000
1:ILE_31:O         1:ILE_31:C         1:CYS_32:N         1:CYS_32:HN        170.000 -170.000 80.00 80.00 1000.000
1:ILE_31:CA        1:ILE_31:C         1:CYS_32:N         1:CYS_32:HN        -10.000 10.000 80.00 80.00 1000.000
1:ILE_31:O         1:ILE_31:C         1:CYS_32:N         1:CYS_32:CA        -10.000 10.000 80.00 80.00 1000.000
1:CYS_32:CA        1:CYS_32:C         1:ARG_33:N         1:ARG_33:CA        170.000 -170.000 80.00 80.00 1000.000
1:CYS_32:O         1:CYS_32:C         1:ARG_33:N         1:ARG_33:HN        170.000 -170.000 80.00 80.00 1000.000
1:CYS_32:CA        1:CYS_32:C         1:ARG_33:N         1:ARG_33:HN        -10.000 10.000 80.00 80.00 1000.000
1:CYS_32:O         1:CYS_32:C         1:ARG_33:N         1:ARG_33:CA        -10.000 10.000 80.00 80.00 1000.000
1:ARG_33:CA        1:ARG_33:C         1:ASN_34:N         1:ASN_34:CA        170.000 -170.000 80.00 80.00 1000.000
1:ARG_33:O         1:ARG_33:C         1:ASN_34:N         1:ASN_34:HN        170.000 -170.000 80.00 80.00 1000.000
1:ARG_33:CA        1:ARG_33:C         1:ASN_34:N         1:ASN_34:HN        -10.000 10.000 80.00 80.00 1000.000
1:ARG_33:O         1:ARG_33:C         1:ASN_34:N         1:ASN_34:CA        -10.000 10.000 80.00 80.00 1000.000
1:ASN_34:CA        1:ASN_34:C         1:ASN_35:N         1:ASN_35:CA        170.000 -170.000 80.00 80.00 1000.000
1:ASN_34:O         1:ASN_34:C         1:ASN_35:N         1:ASN_35:HN        170.000 -170.000 80.00 80.00 1000.000
1:ASN_34:CA        1:ASN_34:C         1:ASN_35:N         1:ASN_35:HN        -10.000 10.000 80.00 80.00 1000.000
1:ASN_34:O         1:ASN_34:C         1:ASN_35:N         1:ASN_35:CA        -10.000 10.000 80.00 80.00 1000.000
1:ASN_35:CA        1:ASN_35:C         1:ASN_36:N         1:ASN_36:CA        170.000 -170.000 80.00 80.00 1000.000
1:ASN_35:O         1:ASN_35:C         1:ASN_36:N         1:ASN_36:HN        170.000 -170.000 80.00 80.00 1000.000
1:ASN_35:CA        1:ASN_35:C         1:ASN_36:N         1:ASN_36:HN        -10.000 10.000 80.00 80.00 1000.000
1:ASN_35:O         1:ASN_35:C         1:ASN_36:N         1:ASN_36:CA        -10.000 10.000 80.00 80.00 1000.000
1:GLU_5:C          1:ASN_6:N          1:ASN_6:CA         1:ASN_6:C          10.000 90.000 40.00 40.00 1000.000
1:ARG_10:C         1:ASP_11:N         1:ASP_11:CA        1:ASP_11:C         -90.000 -10.000 40.00 40.00 1000.000
1:ARG_10:C         1:ASP_11:N         1:ASP_11:CA        1:ASP_11:HA        30.000 110.000 40.00 40.00 1000.000
1:ARG_10:C         1:ASP_11:N         1:ASP_11:CA        1:ASP_11:CB        150.000 -130.000 40.00 40.00 1000.000
1:ASP_11:HN        1:ASP_11:N         1:ASP_11:CA        1:ASP_11:C         90.000 170.000 40.00 40.00 1000.000
1:ASP_11:HN        1:ASP_11:N         1:ASP_11:CA        1:ASP_11:HA        -150.000 -70.000 40.00 40.00 1000.000
1:ASP_11:HN        1:ASP_11:N         1:ASP_11:CA        1:ASP_11:CB        -30.000 50.000 40.00 40.00 1000.000
1:ASP_14:C         1:GLU_15:N         1:GLU_15:CA        1:GLU_15:C         -90.000 -10.000 40.00 40.00 1000.000
1:ASP_14:C         1:GLU_15:N         1:GLU_15:CA        1:GLU_15:HA        30.000 110.000 40.00 40.00 1000.000
1:ASP_14:C         1:GLU_15:N         1:GLU_15:CA        1:GLU_15:CB        150.000 -130.000 40.00 40.00 1000.000
1:GLU_15:HN        1:GLU_15:N         1:GLU_15:CA        1:GLU_15:C         90.000 170.000 40.00 40.00 1000.000
1:GLU_15:HN        1:GLU_15:N         1:GLU_15:CA        1:GLU_15:HA        -150.000 -70.000 40.00 40.00 1000.000
1:GLU_15:HN        1:GLU_15:N         1:GLU_15:CA        1:GLU_15:CB        -30.000 50.000 40.00 40.00 1000.000
1:CYS_16:C         1:CYS_17:N         1:CYS_17:CA        1:CYS_17:C         -90.000 -10.000 40.00 40.00 1000.000
1:CYS_16:C         1:CYS_17:N         1:CYS_17:CA        1:CYS_17:HA        30.000 110.000 40.00 40.00 1000.000
1:CYS_16:C         1:CYS_17:N         1:CYS_17:CA        1:CYS_17:CB        150.000 -130.000 40.00 40.00 1000.000
1:CYS_17:HN        1:CYS_17:N         1:CYS_17:CA        1:CYS_17:C         90.000 170.000 40.00 40.00 1000.000
1:CYS_17:HN        1:CYS_17:N         1:CYS_17:CA        1:CYS_17:HA        -150.000 -70.000 40.00 40.00 1000.000
1:CYS_17:HN        1:CYS_17:N         1:CYS_17:CA        1:CYS_17:CB        -30.000 50.000 40.00 40.00 1000.000
1:ARG_33:C         1:ASN_34:N         1:ASN_34:CA        1:ASN_34:C         -90.000 -10.000 40.00 40.00 1000.000
1:ARG_33:C         1:ASN_34:N         1:ASN_34:CA        1:ASN_34:HA        30.000 110.000 40.00 40.00 1000.000
1:ARG_33:C         1:ASN_34:N         1:ASN_34:CA        1:ASN_34:CB        150.000 -130.000 40.00 40.00 1000.000
1:ASN_34:HN        1:ASN_34:N         1:ASN_34:CA        1:ASN_34:C         90.000 170.000 40.00 40.00 1000.000
1:ASN_34:HN        1:ASN_34:N         1:ASN_34:CA        1:ASN_34:HA        -150.000 -70.000 40.00 40.00 1000.000
1:ASN_34:HN        1:ASN_34:N         1:ASN_34:CA        1:ASN_34:CB        -30.000 50.000 40.00 40.00 1000.000
1:PRO_4:C          1:GLU_5:N          1:GLU_5:CA         1:GLU_5:C          -90.000 -10.000 40.00 40.00 1000.000
1:PRO_4:C          1:GLU_5:N          1:GLU_5:CA         1:GLU_5:HA         30.000 110.000 40.00 40.00 1000.000
1:PRO_4:C          1:GLU_5:N          1:GLU_5:CA         1:GLU_5:CB         150.000 -130.000 40.00 40.00 1000.000
1:GLU_5:HN         1:GLU_5:N          1:GLU_5:CA         1:GLU_5:C          90.000 170.000 40.00 40.00 1000.000
1:GLU_5:HN         1:GLU_5:N          1:GLU_5:CA         1:GLU_5:HA         -150.000 -70.000 40.00 40.00 1000.000
1:GLU_5:HN         1:GLU_5:N          1:GLU_5:CA         1:GLU_5:CB         -30.000 50.000 40.00 40.00 1000.000
1:HIS_8:C          1:CYS_9:N          1:CYS_9:CA         1:CYS_9:C          -175.000 -75.000 40.00 40.00 1000.000
1:HIS_8:C          1:CYS_9:N          1:CYS_9:CA         1:CYS_9:HA         -55.000 45.000 40.00 40.00 1000.000
1:HIS_8:C          1:CYS_9:N          1:CYS_9:CA         1:CYS_9:CB         65.000 165.000 40.00 40.00 1000.000
1:CYS_9:HN         1:CYS_9:N          1:CYS_9:CA         1:CYS_9:C           5.000 105.000 40.00 40.00 1000.000
1:CYS_9:HN         1:CYS_9:N          1:CYS_9:CA         1:CYS_9:HA         125.000 -135.000 40.00 40.00 1000.000
1:CYS_9:HN         1:CYS_9:N          1:CYS_9:CA         1:CYS_9:CB         -115.000 -15.000 40.00 40.00 1000.000
1:GLY_19:C         1:PHE_20:N         1:PHE_20:CA        1:PHE_20:C         -175.000 -75.000 40.00 40.00 1000.000
1:GLY_19:C         1:PHE_20:N         1:PHE_20:CA        1:PHE_20:HA        -55.000 45.000 40.00 40.00 1000.000
1:GLY_19:C         1:PHE_20:N         1:PHE_20:CA        1:PHE_20:CB        65.000 165.000 40.00 40.00 1000.000
1:PHE_20:HN        1:PHE_20:N         1:PHE_20:CA        1:PHE_20:C          5.000 105.000 40.00 40.00 1000.000
1:PHE_20:HN        1:PHE_20:N         1:PHE_20:CA        1:PHE_20:HA        125.000 -135.000 40.00 40.00 1000.000
1:PHE_20:HN        1:PHE_20:N         1:PHE_20:CA        1:PHE_20:CB        -115.000 -15.000 40.00 40.00 1000.000
1:PHE_20:C         1:TYR_21:N         1:TYR_21:CA        1:TYR_21:C         -175.000 -75.000 40.00 40.00 1000.000
1:PHE_20:C         1:TYR_21:N         1:TYR_21:CA        1:TYR_21:HA        -55.000 45.000 40.00 40.00 1000.000
1:PHE_20:C         1:TYR_21:N         1:TYR_21:CA        1:TYR_21:CB        65.000 165.000 40.00 40.00 1000.000
1:TYR_21:HN        1:TYR_21:N         1:TYR_21:CA        1:TYR_21:C          5.000 105.000 40.00 40.00 1000.000
1:TYR_21:HN        1:TYR_21:N         1:TYR_21:CA        1:TYR_21:HA        125.000 -135.000 40.00 40.00 1000.000
1:TYR_21:HN        1:TYR_21:N         1:TYR_21:CA        1:TYR_21:CB        -115.000 -15.000 40.00 40.00 1000.000
1:CYS_22:C         1:SER_23:N         1:SER_23:CA        1:SER_23:C         -175.000 -75.000 40.00 40.00 1000.000
1:CYS_22:C         1:SER_23:N         1:SER_23:CA        1:SER_23:HA        -55.000 45.000 40.00 40.00 1000.000
1:CYS_22:C         1:SER_23:N         1:SER_23:CA        1:SER_23:CB        65.000 165.000 40.00 40.00 1000.000
1:SER_23:HN        1:SER_23:N         1:SER_23:CA        1:SER_23:C          5.000 105.000 40.00 40.00 1000.000
1:SER_23:HN        1:SER_23:N         1:SER_23:CA        1:SER_23:HA        125.000 -135.000 40.00 40.00 1000.000
1:SER_23:HN        1:SER_23:N         1:SER_23:CA        1:SER_23:CB        -115.000 -15.000 40.00 40.00 1000.000
1:SER_23:C         1:CYS_24:N         1:CYS_24:CA        1:CYS_24:C         -175.000 -75.000 40.00 40.00 1000.000
1:SER_23:C         1:CYS_24:N         1:CYS_24:CA        1:CYS_24:HA        -55.000 45.000 40.00 40.00 1000.000
1:SER_23:C         1:CYS_24:N         1:CYS_24:CA        1:CYS_24:CB        65.000 165.000 40.00 40.00 1000.000
1:CYS_24:HN        1:CYS_24:N         1:CYS_24:CA        1:CYS_24:C          5.000 105.000 40.00 40.00 1000.000
1:CYS_24:HN        1:CYS_24:N         1:CYS_24:CA        1:CYS_24:HA        125.000 -135.000 40.00 40.00 1000.000
1:CYS_24:HN        1:CYS_24:N         1:CYS_24:CA        1:CYS_24:CB        -115.000 -15.000 40.00 40.00 1000.000
1:ARG_25:C         1:GLN_26:N         1:GLN_26:CA        1:GLN_26:C         -175.000 -75.000 40.00 40.00 1000.000
1:ARG_25:C         1:GLN_26:N         1:GLN_26:CA        1:GLN_26:HA        -55.000 45.000 40.00 40.00 1000.000
1:ARG_25:C         1:GLN_26:N         1:GLN_26:CA        1:GLN_26:CB        65.000 165.000 40.00 40.00 1000.000
1:GLN_26:HN        1:GLN_26:N         1:GLN_26:CA        1:GLN_26:C          5.000 105.000 40.00 40.00 1000.000
1:GLN_26:HN        1:GLN_26:N         1:GLN_26:CA        1:GLN_26:HA        125.000 -135.000 40.00 40.00 1000.000
1:GLN_26:HN        1:GLN_26:N         1:GLN_26:CA        1:GLN_26:CB        -115.000 -15.000 40.00 40.00 1000.000
1:LYS_29:C         1:CYS_30:N         1:CYS_30:CA        1:CYS_30:C         -175.000 -75.000 40.00 40.00 1000.000
1:LYS_29:C         1:CYS_30:N         1:CYS_30:CA        1:CYS_30:HA        -55.000 45.000 40.00 40.00 1000.000
1:LYS_29:C         1:CYS_30:N         1:CYS_30:CA        1:CYS_30:CB        65.000 165.000 40.00 40.00 1000.000
1:CYS_30:HN        1:CYS_30:N         1:CYS_30:CA        1:CYS_30:C          5.000 105.000 40.00 40.00 1000.000
1:CYS_30:HN        1:CYS_30:N         1:CYS_30:CA        1:CYS_30:HA        125.000 -135.000 40.00 40.00 1000.000
1:CYS_30:HN        1:CYS_30:N         1:CYS_30:CA        1:CYS_30:CB        -115.000 -15.000 40.00 40.00 1000.000
1:CYS_30:C         1:ILE_31:N         1:ILE_31:CA        1:ILE_31:C         -175.000 -75.000 40.00 40.00 1000.000
1:CYS_30:C         1:ILE_31:N         1:ILE_31:CA        1:ILE_31:HA        -55.000 45.000 40.00 40.00 1000.000
1:CYS_30:C         1:ILE_31:N         1:ILE_31:CA        1:ILE_31:CB        65.000 165.000 40.00 40.00 1000.000
1:ILE_31:HN        1:ILE_31:N         1:ILE_31:CA        1:ILE_31:C          5.000 105.000 40.00 40.00 1000.000
1:ILE_31:HN        1:ILE_31:N         1:ILE_31:CA        1:ILE_31:HA        125.000 -135.000 40.00 40.00 1000.000
1:ILE_31:HN        1:ILE_31:N         1:ILE_31:CA        1:ILE_31:CB        -115.000 -15.000 40.00 40.00 1000.000
1:CYS_32:C         1:ARG_33:N         1:ARG_33:CA        1:ARG_33:C         -175.000 -75.000 40.00 40.00 1000.000
1:CYS_32:C         1:ARG_33:N         1:ARG_33:CA        1:ARG_33:HA        -55.000 45.000 40.00 40.00 1000.000
1:CYS_32:C         1:ARG_33:N         1:ARG_33:CA        1:ARG_33:CB        65.000 165.000 40.00 40.00 1000.000
1:ARG_33:HN        1:ARG_33:N         1:ARG_33:CA        1:ARG_33:C          5.000 105.000 40.00 40.00 1000.000
1:ARG_33:HN        1:ARG_33:N         1:ARG_33:CA        1:ARG_33:HA        125.000 -135.000 40.00 40.00 1000.000
1:ARG_33:HN        1:ARG_33:N         1:ARG_33:CA        1:ARG_33:CB        -115.000 -15.000 40.00 40.00 1000.000
1:LYS_29:C         1:CYS_30:N         1:CYS_30:CA        1:CYS_30:C         -175.000 -75.000 40.00 40.00 1000.000
1:VAL_3:HA         1:VAL_3:CA         1:VAL_3:CB         1:VAL_3:HB         140.000 -140.000 40.00 40.00 1000.000
1:CYS_9:N          1:CYS_9:CA         1:CYS_9:CB         1:CYS_9:SG         40.000 80.000 40.00 40.00 1000.000
1:SER_23:N         1:SER_23:CA        1:SER_23:CB        1:SER_23:OG        160.000 -160.000 40.00 40.00 1000.000
1:CYS_17:N         1:CYS_17:CA        1:CYS_17:CB        1:CYS_17:SG        -80.000 -40.000 40.00 40.00 1000.000
1:CYS_32:N         1:CYS_32:CA        1:CYS_32:CB        1:CYS_32:SG        -80.000 -40.000 40.00 40.00 1000.000
1:CYS_22:N         1:CYS_22:CA        1:CYS_22:CB        1:CYS_22:SG        160.000 -160.000 40.00 40.00 1000.000
1:CYS_30:N         1:CYS_30:CA        1:CYS_30:CB        1:CYS_30:SG        160.000 -160.000 40.00 40.00 1000.000
1:ARG_33:N         1:ARG_33:CA        1:ARG_33:CB        1:ARG_33:CG        160.000 -160.000 40.00 40.00 1000.000
1:CYS_2:N          1:CYS_2:CA         1:CYS_2:CB         1:CYS_2:SG         160.000 -40.000 40.00 40.00 1000.000
1:CYS_16:N         1:CYS_16:CA        1:CYS_16:CB        1:CYS_16:SG        160.000 -40.000 40.00 40.00 1000.000

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLU   1          1H        GLU   1   9.670 -10.645   2.390
    2   2H    GLU   1          2H        GLU   1  10.353 -11.041   3.822
    3    HA   GLU   1           HA       GLU   1   8.641  -9.398   4.150
    4   1HB   GLU   1          1HB       GLU   1  11.539  -8.379   4.591
    5   2HB   GLU   1          2HB       GLU   1  10.137  -7.576   5.259
    6   1HG   GLU   1          1HG       GLU   1  10.956 -10.472   5.935
    7   2HG   GLU   1          2HG       GLU   1  11.347  -9.056   6.891
    8    HE1  GLU   1           HE2      GLU   1   8.189  -8.616   8.261
    9    H    CYS   2           H        CYS   2   7.475  -8.140   2.852
   10    HA   CYS   2           HA       CYS   2   8.653  -6.560   0.591
   11   1HB   CYS   2          1HB       CYS   2   5.673  -6.527   1.331
   12   2HB   CYS   2          2HB       CYS   2   6.373  -6.681  -0.250
   13    H    VAL   3           H        VAL   3   6.176  -4.710   1.096
   14    HA   VAL   3           HA       VAL   3   7.163  -3.015   3.458
   15    HB   VAL   3           HB       VAL   3   5.255  -2.186   1.219
   16   1HG1  VAL   3          1HG2      VAL   3   6.422  -0.548   3.625
   17   2HG1  VAL   3          2HG2      VAL   3   5.498   0.184   2.300
   18   3HG1  VAL   3          3HG2      VAL   3   4.732  -0.991   3.364
   19   1HG2  VAL   3          2HG1      VAL   3   7.630  -2.227   0.327
   20   2HG2  VAL   3          3HG1      VAL   3   7.036  -0.564   0.447
   21   3HG2  VAL   3          1HG1      VAL   3   8.174  -1.195   1.666
   22    HA   PRO   4           HA       PRO   4   3.152  -5.276   4.757
   23   1HB   PRO   4          1HB       PRO   4   4.120  -3.954   7.463
   24   2HB   PRO   4          2HB       PRO   4   3.325  -5.538   7.260
   25   1HG   PRO   4          1HG       PRO   4   5.958  -5.614   7.494
   26   2HG   PRO   4          2HG       PRO   4   5.048  -6.386   6.130
   27   1HD   PRO   4          1HD       PRO   4   6.412  -3.526   6.067
   28   2HD   PRO   4          2HD       PRO   4   6.913  -4.931   5.064
   29    H    GLU   5           H        GLU   5   1.532  -4.518   6.516
   30    HA   GLU   5           HA       GLU   5  -0.109  -2.265   5.485
   31   1HB   GLU   5          1HB       GLU   5  -1.049  -4.171   6.237
   32   2HB   GLU   5          2HB       GLU   5  -0.121  -4.173   7.738
   33   1HG   GLU   5          1HG       GLU   5  -1.151  -2.717   8.741
   34   2HG   GLU   5          2HG       GLU   5  -2.099  -1.951   7.430
   35    HE1  GLU   5           HE2      GLU   5  -3.489  -5.156   9.468
   36    H    ASN   6           H        ASN   6  -0.414  -0.543   6.191
   37    HA   ASN   6           HA       ASN   6   0.051   1.743   6.765
   38   1HB   ASN   6          1HB       ASN   6   0.438   2.304   9.089
   39   2HB   ASN   6          2HB       ASN   6  -0.642   0.957   9.085
   40   1HD2  ASN   6          1HD2      ASN   6   1.418  -0.713  11.491
   41   2HD2  ASN   6          2HD2      ASN   6  -0.208  -0.485  10.674
   42    H    GLY   7           H        GLY   7   2.486  -0.337   6.069
   43   1HA   GLY   7          1HA       GLY   7   4.928   1.415   6.292
   44   2HA   GLY   7          2HA       GLY   7   4.801   0.026   5.342
   45    H    HIS   8           H        HIS   8   5.464   2.657   4.898
   46    HA   HIS   8           HA       HIS   8   3.432   3.918   3.052
   47   1HB   HIS   8          1HB       HIS   8   6.258   4.958   3.794
   48   2HB   HIS   8          2HB       HIS   8   5.113   5.834   2.800
   49    HD2  HIS   8           HD2      HIS   8   2.612   6.518   4.066
   50    HE1  HIS   8           HE1      HIS   8   4.140   6.359   7.923
   51    HE2  HIS   8           HE2      HIS   8   2.107   7.170   6.577
   52    H    CYS   9           H        CYS   9   3.339   3.568   0.823
   53    HA   CYS   9           HA       CYS   9   5.775   2.123  -0.388
   54   1HB   CYS   9          1HB       CYS   9   4.197   0.532  -1.235
   55   2HB   CYS   9          2HB       CYS   9   3.905   0.606   0.477
   56    H    ARG  10           H        ARG  10   4.232   1.769  -2.836
   57    HA   ARG  10           HA       ARG  10   3.750   4.253  -4.206
   58   1HB   ARG  10          1HB       ARG  10   6.651   3.672  -3.844
   59   2HB   ARG  10          2HB       ARG  10   6.290   3.511  -5.526
   60   1HG   ARG  10          1HG       ARG  10   5.577   6.020  -3.884
   61   2HG   ARG  10          2HG       ARG  10   7.096   5.761  -4.733
   62   1HD   ARG  10          1HD       ARG  10   5.769   5.455  -6.924
   63   2HD   ARG  10          2HD       ARG  10   4.307   5.945  -6.053
   64   1HH1  ARG  10          2HH2      ARG  10   4.844   6.671  -8.493
   65   2HH1  ARG  10          1HH2      ARG  10   5.054   8.292  -9.327
   66   1HH2  ARG  10          1HH1      ARG  10   6.366   9.814  -6.535
   67   2HH2  ARG  10          2HH1      ARG  10   5.857   9.947  -8.293
   68    H    ASP  11           H        ASP  11   2.366   3.250  -5.525
   69    HA   ASP  11           HA       ASP  11   2.615   0.428  -6.519
   70   1HB   ASP  11          1HB       ASP  11   0.442   1.807  -5.939
   71   2HB   ASP  11          2HB       ASP  11   0.672   2.661  -7.456
   72    HD1  ASP  11           HD2      ASP  11  -0.653  -1.175  -7.238
   73    H    TRP  12           H        TRP  12   4.817   1.403  -7.238
   74    HA   TRP  12           HA       TRP  12   5.126   1.412 -10.215
   75   1HB   TRP  12          1HB       TRP  12   5.872   3.938  -8.572
   76   2HB   TRP  12          2HB       TRP  12   6.435   3.628 -10.188
   77    HD1  TRP  12           HD1      TRP  12   3.307   4.858  -8.273
   78    HE1  TRP  12           HE1      TRP  12   1.569   5.971  -9.912
   79    HE3  TRP  12           HE3      TRP  12   5.564   3.359 -12.600
   80    HZ2  TRP  12           HZ2      TRP  12   1.348   6.056 -12.764
   81    HZ3  TRP  12           HZ3      TRP  12   4.525   3.967 -14.762
   82    HH2  TRP  12           HH2      TRP  12   2.452   5.292 -14.842
   83    H    TYR  13           H        TYR  13   6.681   2.229  -7.032
   84    HA   TYR  13           HA       TYR  13   9.296   0.862  -7.919
   85   1HB   TYR  13          1HB       TYR  13   9.033   3.282  -6.010
   86   2HB   TYR  13          2HB       TYR  13  10.503   2.583  -6.625
   87    HD1  TYR  13           HD2      TYR  13  10.732   2.600  -9.358
   88    HD2  TYR  13           HD1      TYR  13   8.164   5.208  -7.095
   89    HE1  TYR  13           HE2      TYR  13  10.596   4.141 -11.268
   90    HE2  TYR  13           HE1      TYR  13   8.034   6.735  -9.010
   91    HH   TYR  13           HH       TYR  13   8.651   7.127 -11.101
   92    H    ASP  14           H        ASP  14   7.702   1.963  -4.819
   93    HA   ASP  14           HA       ASP  14   9.137  -0.228  -3.306
   94   1HB   ASP  14          1HB       ASP  14   7.240   2.007  -2.312
   95   2HB   ASP  14          2HB       ASP  14   8.051   0.855  -1.278
   96    HD2  ASP  14           HD2      ASP  14   9.980   4.052  -2.720
   97    H    GLU  15           H        GLU  15   8.252  -2.164  -3.395
   98    HA   GLU  15           HA       GLU  15   5.369  -2.596  -4.073
   99   1HB   GLU  15          1HB       GLU  15   7.366  -3.812  -5.105
  100   2HB   GLU  15          2HB       GLU  15   7.660  -4.626  -3.572
  101   1HG   GLU  15          1HG       GLU  15   5.375  -5.724  -3.742
  102   2HG   GLU  15          2HG       GLU  15   5.058  -4.858  -5.242
  103    HE1  GLU  15           HE2      GLU  15   7.063  -6.864  -7.229
  104    H    CYS  16           H        CYS  16   3.799  -2.730  -2.602
  105    HA   CYS  16           HA       CYS  16   4.193  -3.639   0.182
  106   1HB   CYS  16          1HB       CYS  16   2.361  -2.093  -0.542
  107   2HB   CYS  16          2HB       CYS  16   1.434  -3.386  -1.302
  108    H    CYS  17           H        CYS  17   3.262  -5.409   1.060
  109    HA   CYS  17           HA       CYS  17   4.064  -7.951  -0.281
  110   1HB   CYS  17          1HB       CYS  17   2.558  -7.388   2.314
  111   2HB   CYS  17          2HB       CYS  17   2.485  -9.024   1.692
  112    H    GLU  18           H        GLU  18   2.695  -9.878  -0.490
  113    HA   GLU  18           HA       GLU  18   0.140  -9.471  -2.088
  114   1HB   GLU  18          1HB       GLU  18   0.403 -11.756  -2.871
  115   2HB   GLU  18          2HB       GLU  18   1.830 -10.814  -3.233
  116   1HG   GLU  18          1HG       GLU  18   2.924 -11.917  -1.122
  117   2HG   GLU  18          2HG       GLU  18   1.527 -12.989  -1.089
  118    HE1  GLU  18           HE2      GLU  18   4.427 -13.417  -3.870
  119    H    GLY  19           H        GLY  19  -0.907  -9.036  -0.593
  120   1HA   GLY  19          1HA       GLY  19  -2.723 -10.439   0.910
  121   2HA   GLY  19          2HA       GLY  19  -1.392 -10.291   2.085
  122    H    PHE  20           H        PHE  20  -0.816  -7.549   0.738
  123    HA   PHE  20           HA       PHE  20  -3.273  -5.934   1.458
  124   1HB   PHE  20          1HB       PHE  20  -0.690  -4.595   2.246
  125   2HB   PHE  20          2HB       PHE  20  -2.284  -4.275   2.759
  126    HD1  PHE  20           HD1      PHE  20  -3.424  -5.753   4.552
  127    HD2  PHE  20           HD2      PHE  20   0.779  -5.976   3.655
  128    HE1  PHE  20           HE1      PHE  20  -3.023  -6.895   6.683
  129    HE2  PHE  20           HE2      PHE  20   1.163  -7.105   5.800
  130    HZ   PHE  20           HZ       PHE  20  -0.727  -7.517   7.340
  131    H    TYR  21           H        TYR  21  -3.539  -4.596  -0.107
  132    HA   TYR  21           HA       TYR  21  -1.623  -4.426  -2.496
  133   1HB   TYR  21          1HB       TYR  21  -3.419  -3.572  -3.809
  134   2HB   TYR  21          2HB       TYR  21  -4.025  -4.947  -2.963
  135    HD1  TYR  21           HD2      TYR  21  -4.305  -1.266  -3.371
  136    HD2  TYR  21           HD1      TYR  21  -5.873  -4.669  -1.260
  137    HE1  TYR  21           HE2      TYR  21  -6.302   0.025  -2.763
  138    HE2  TYR  21           HE1      TYR  21  -7.881  -3.368  -0.674
  139    HH   TYR  21           HH       TYR  21  -8.253   0.019  -1.701
  140    H    CYS  22           H        CYS  22  -0.578  -2.586  -3.092
  141    HA   CYS  22           HA       CYS  22  -0.204  -0.482  -1.112
  142   1HB   CYS  22          1HB       CYS  22   1.605  -1.335  -2.636
  143   2HB   CYS  22          2HB       CYS  22   0.772  -0.703  -4.053
  144    H    SER  23           H        SER  23  -2.006   0.517  -0.825
  145    HA   SER  23           HA       SER  23  -3.721   1.972  -2.838
  146   1HB   SER  23          1HB       SER  23  -4.625   1.093  -0.681
  147   2HB   SER  23          2HB       SER  23  -3.565   2.251   0.229
  148    HG   SER  23           HG       SER  23  -4.669   3.922  -0.856
  149    H    CYS  24           H        CYS  24  -2.758   3.631  -3.908
  150    HA   CYS  24           HA       CYS  24  -0.864   5.542  -2.416
  151   1HB   CYS  24          1HB       CYS  24  -0.870   4.857  -5.408
  152   2HB   CYS  24          2HB       CYS  24   0.189   6.010  -4.543
  153    H    ARG  25           H        ARG  25  -2.676   6.522  -1.714
  154    HA   ARG  25           HA       ARG  25  -4.953   7.642  -2.925
  155   1HB   ARG  25          1HB       ARG  25  -3.249   8.967  -0.694
  156   2HB   ARG  25          2HB       ARG  25  -4.911   9.404  -1.053
  157   1HG   ARG  25          1HG       ARG  25  -5.722   7.131  -0.417
  158   2HG   ARG  25          2HG       ARG  25  -4.068   6.582  -0.145
  159   1HD   ARG  25          1HD       ARG  25  -3.792   8.367   1.662
  160   2HD   ARG  25          2HD       ARG  25  -5.480   8.816   1.468
  161   1HH1  ARG  25          2HH2      ARG  25  -7.343   7.884   1.574
  162   2HH1  ARG  25          1HH2      ARG  25  -8.363   6.743   2.587
  163   1HH2  ARG  25          1HH1      ARG  25  -5.635   5.064   3.850
  164   2HH2  ARG  25          2HH1      ARG  25  -7.459   5.255   3.788
  165    H    GLN  26           H        GLN  26  -1.909   9.464  -2.628
  166    HA   GLN  26           HA       GLN  26  -2.423  10.763  -5.302
  167   1HB   GLN  26          1HB       GLN  26  -3.385  12.375  -3.550
  168   2HB   GLN  26          2HB       GLN  26  -1.790  12.581  -2.870
  169   1HG   GLN  26          1HG       GLN  26  -2.650  13.247  -5.769
  170   2HG   GLN  26          2HG       GLN  26  -2.587  14.397  -4.452
  171   1HE2  GLN  26          2HE2      GLN  26   0.728  14.168  -6.584
  172   2HE2  GLN  26          1HE2      GLN  26  -0.967  13.703  -7.111
  173    HA   PRO  27           HA       PRO  27   1.844   8.919  -4.625
  174   1HB   PRO  27          1HB       PRO  27   2.052   9.706  -7.602
  175   2HB   PRO  27          2HB       PRO  27   2.622   8.219  -6.810
  176   1HG   PRO  27          1HG       PRO  27   0.286   8.171  -8.191
  177   2HG   PRO  27          2HG       PRO  27   0.371   7.349  -6.617
  178   1HD   PRO  27          1HD       PRO  27  -0.881  10.071  -7.248
  179   2HD   PRO  27          2HD       PRO  27  -1.471   8.777  -6.163
  180    HA   PRO  28           HA       PRO  28   4.189   8.794  -4.465
  181   1HB   PRO  28          1HB       PRO  28   6.197   9.576  -2.726
  182   2HB   PRO  28          2HB       PRO  28   6.292   9.865  -4.464
  183   1HG   PRO  28          1HG       PRO  28   5.387  11.845  -2.305
  184   2HG   PRO  28          2HG       PRO  28   6.616  12.098  -3.571
  185   1HD   PRO  28          1HD       PRO  28   3.991  12.937  -3.892
  186   2HD   PRO  28          2HD       PRO  28   4.951  12.351  -5.282
  187    H    LYS  29           H        LYS  29   2.262  10.685  -2.254
  188    HA   LYS  29           HA       LYS  29   2.908   9.053   0.168
  189   1HB   LYS  29          1HB       LYS  29   0.947  10.072   1.220
  190   2HB   LYS  29          2HB       LYS  29   2.031  11.261   0.566
  191   1HG   LYS  29          1HG       LYS  29   0.528  11.912  -1.178
  192   2HG   LYS  29          2HG       LYS  29  -0.533  10.522  -0.970
  193   1HD   LYS  29          1HD       LYS  29  -0.131  12.730   1.149
  194   2HD   LYS  29          2HD       LYS  29  -1.377  12.758  -0.094
  195   1HE   LYS  29          1HE       LYS  29  -2.359  10.593   0.797
  196   2HE   LYS  29          2HE       LYS  29  -1.142  10.564   2.078
  197   1HZ   LYS  29          1HZ       LYS  29  -1.993  12.709   2.843
  198   2HZ   LYS  29          2HZ       LYS  29  -3.120  12.734   1.659
  199    H    CYS  30           H        CYS  30   2.242   7.202   0.643
  200    HA   CYS  30           HA       CYS  30  -0.251   5.803  -0.368
  201   1HB   CYS  30          1HB       CYS  30   1.945   5.515  -1.973
  202   2HB   CYS  30          2HB       CYS  30   2.315   4.316  -0.792
  203    H    ILE  31           H        ILE  31  -0.228   3.757   0.406
  204    HA   ILE  31           HA       ILE  31   1.528   2.757   2.553
  205    HB   ILE  31           HB       ILE  31  -0.411   2.032   4.314
  206   1HG1  ILE  31          1HG1      ILE  31  -1.781   4.600   3.315
  207   2HG1  ILE  31          2HG1      ILE  31  -2.175   2.956   2.746
  208   1HG2  ILE  31          2HG2      ILE  31   1.507   3.413   4.848
  209   2HG2  ILE  31          3HG2      ILE  31   0.612   4.903   4.365
  210   3HG2  ILE  31          1HG2      ILE  31   0.055   3.855   5.717
  211   1HD1  ILE  31          2HD1      ILE  31  -2.640   2.134   5.019
  212   2HD1  ILE  31          3HD1      ILE  31  -2.274   3.731   5.713
  213   3HD1  ILE  31          1HD1      ILE  31  -3.681   3.525   4.623
  214    H    CYS  32           H        CYS  32   0.664   0.686   3.410
  215    HA   CYS  32           HA       CYS  32  -0.442  -1.097   1.325
  216   1HB   CYS  32          1HB       CYS  32   0.849  -1.301   4.027
  217   2HB   CYS  32          2HB       CYS  32   0.151  -2.679   3.320
  218    H    ARG  33           H        ARG  33  -2.082  -1.889   1.611
  219    HA   ARG  33           HA       ARG  33  -4.258  -1.276   3.743
  220   1HB   ARG  33          1HB       ARG  33  -4.377   0.672   2.279
  221   2HB   ARG  33          2HB       ARG  33  -4.107  -0.326   0.831
  222   1HG   ARG  33          1HG       ARG  33  -6.313   0.528   0.817
  223   2HG   ARG  33          2HG       ARG  33  -6.267  -1.220   0.855
  224   1HD   ARG  33          1HD       ARG  33  -6.750  -1.025   3.453
  225   2HD   ARG  33          2HD       ARG  33  -7.099   0.683   3.155
  226   1HH1  ARG  33          2HH2      ARG  33  -8.352  -1.301   4.681
  227   2HH1  ARG  33          1HH2      ARG  33 -10.060  -1.972   4.726
  228   1HH2  ARG  33          1HH1      ARG  33 -10.655  -1.295   1.403
  229   2HH2  ARG  33          2HH1      ARG  33 -11.273  -1.967   2.995
  230    H    ASN  34           H        ASN  34  -5.365  -2.998   4.203
  231    HA   ASN  34           HA       ASN  34  -5.015  -5.565   2.883
  232   1HB   ASN  34          1HB       ASN  34  -5.617  -5.084   5.369
  233   2HB   ASN  34          2HB       ASN  34  -7.249  -4.708   4.870
  234   1HD2  ASN  34          1HD2      ASN  34  -6.068  -8.669   5.061
  235   2HD2  ASN  34          2HD2      ASN  34  -4.838  -7.307   5.083
  236    H    ASN  35           H        ASN  35  -6.115  -6.670   1.467
  237    HA   ASN  35           HA       ASN  35  -8.476  -5.530  -0.067
  238   1HB   ASN  35          1HB       ASN  35  -8.354  -7.639  -1.398
  239   2HB   ASN  35          2HB       ASN  35  -6.919  -6.679  -1.460
  240   1HD2  ASN  35          1HD2      ASN  35  -4.827  -9.394  -0.396
  241   2HD2  ASN  35          2HD2      ASN  35  -4.965  -7.633  -0.892
  242    H    ASN  36           H        ASN  36 -10.405  -5.725   0.697
  243    HA   ASN  36           HA       ASN  36 -11.166  -7.932   2.713
  244   1HB   ASN  36          1HB       ASN  36 -12.153  -5.011   2.484
  245   2HB   ASN  36          2HB       ASN  36 -12.898  -6.211   3.511
  246   1HD2  ASN  36          1HD2      ASN  36 -10.379  -5.935   6.075
  247   2HD2  ASN  36          2HD2      ASN  36 -11.824  -6.865   5.430
  248   1HN   NH2  37          1HN       NH2  37 -12.393  -9.613   1.603
  249   2HN   NH2  37          2HN       NH2  37 -13.693  -9.250   0.448
   
  No H/Q in entry =         249
  Start of MODEL    2
    1   1H    GLU   1          1H        GLU   1  11.476  -7.167  -1.960
    2   2H    GLU   1          2H        GLU   1  10.389  -5.950  -2.063
    3    HA   GLU   1           HA       GLU   1  10.672  -7.828   0.217
    4   1HB   GLU   1          1HB       GLU   1  12.533  -6.078  -0.128
    5   2HB   GLU   1          2HB       GLU   1  11.327  -4.804  -0.019
    6   1HG   GLU   1          1HG       GLU   1  10.769  -5.651   2.368
    7   2HG   GLU   1          2HG       GLU   1  12.072  -6.822   2.206
    8    HE2  GLU   1           HE2      GLU   1  12.792  -3.076   3.285
    9    H    CYS   2           H        CYS   2   8.845  -8.039   1.288
   10    HA   CYS   2           HA       CYS   2   6.490  -6.337   0.769
   11   1HB   CYS   2          1HB       CYS   2   5.452  -7.831   1.487
   12   2HB   CYS   2          2HB       CYS   2   6.342  -8.939   1.253
   13    H    VAL   3           H        VAL   3   5.493  -5.361   1.936
   14    HA   VAL   3           HA       VAL   3   6.304  -4.079   4.638
   15    HB   VAL   3           HB       VAL   3   5.107  -2.716   2.162
   16   1HG1  VAL   3          1HG2      VAL   3   4.352  -1.482   4.220
   17   2HG1  VAL   3          2HG2      VAL   3   6.017  -1.344   4.814
   18   3HG1  VAL   3          3HG2      VAL   3   5.505  -0.483   3.349
   19   1HG2  VAL   3          2HG1      VAL   3   7.558  -3.146   1.774
   20   2HG2  VAL   3          3HG1      VAL   3   7.287  -1.414   1.984
   21   3HG2  VAL   3          1HG1      VAL   3   7.978  -2.374   3.318
   22    HA   PRO   4           HA       PRO   4   1.642  -5.037   4.943
   23   1HB   PRO   4          1HB       PRO   4   1.335  -5.534   7.564
   24   2HB   PRO   4          2HB       PRO   4   2.349  -6.641   6.620
   25   1HG   PRO   4          1HG       PRO   4   3.315  -4.134   8.168
   26   2HG   PRO   4          2HG       PRO   4   3.602  -5.816   8.496
   27   1HD   PRO   4          1HD       PRO   4   5.312  -4.223   6.807
   28   2HD   PRO   4          2HD       PRO   4   5.076  -5.956   6.391
   29    H    GLU   5           H        GLU   5   0.323  -4.083   7.080
   30    HA   GLU   5           HA       GLU   5  -0.588  -1.722   5.853
   31   1HB   GLU   5          1HB       GLU   5  -1.638  -3.473   7.516
   32   2HB   GLU   5          2HB       GLU   5  -1.120  -2.509   8.819
   33   1HG   GLU   5          1HG       GLU   5  -2.741  -1.912   6.314
   34   2HG   GLU   5          2HG       GLU   5  -3.550  -2.388   7.750
   35    HE1  GLU   5           HE2      GLU   5  -3.465   0.657   9.447
   36    H    ASN   6           H        ASN   6  -0.972   0.138   6.501
   37    HA   ASN   6           HA       ASN   6  -0.040   2.408   6.540
   38   1HB   ASN   6          1HB       ASN   6   0.394   3.226   8.897
   39   2HB   ASN   6          2HB       ASN   6  -1.086   2.359   8.727
   40   1HD2  ASN   6          1HD2      ASN   6  -0.228  -0.217  11.022
   41   2HD2  ASN   6          2HD2      ASN   6  -1.466   0.692  10.056
   42    H    GLY   7           H        GLY   7   2.070   0.139   6.073
   43   1HA   GLY   7          1HA       GLY   7   4.661   1.665   6.501
   44   2HA   GLY   7          2HA       GLY   7   4.535   0.172   5.734
   45    H    HIS   8           H        HIS   8   5.394   2.708   5.032
   46    HA   HIS   8           HA       HIS   8   3.643   3.885   2.906
   47   1HB   HIS   8          1HB       HIS   8   6.577   4.613   3.581
   48   2HB   HIS   8          2HB       HIS   8   5.574   5.519   2.471
   49    HD2  HIS   8           HD2      HIS   8   2.816   5.813   4.219
   50    HE1  HIS   8           HE1      HIS   8   5.250   7.700   7.005
   51    HE2  HIS   8           HE2      HIS   8   2.789   7.419   6.322
   52    H    CYS   9           H        CYS   9   3.635   3.538   0.637
   53    HA   CYS   9           HA       CYS   9   6.008   1.919  -0.465
   54   1HB   CYS   9          2HB       CYS   9   4.355   0.560  -1.602
   55   2HB   CYS   9          1HB       CYS   9   4.185   0.372   0.125
   56    H    ARG  10           H        ARG  10   6.778   4.108  -1.193
   57    HA   ARG  10           HA       ARG  10   5.079   5.470  -3.245
   58   1HB   ARG  10          1HB       ARG  10   7.434   6.503  -1.562
   59   2HB   ARG  10          2HB       ARG  10   6.323   7.446  -2.537
   60   1HG   ARG  10          1HG       ARG  10   4.494   7.042  -0.816
   61   2HG   ARG  10          2HG       ARG  10   5.655   6.131   0.138
   62   1HD   ARG  10          1HD       ARG  10   5.816   8.294   1.057
   63   2HD   ARG  10          2HD       ARG  10   7.257   8.155   0.031
   64   1HH1  ARG  10          2HH2      ARG  10   7.152  10.177   1.319
   65   2HH1  ARG  10          1HH2      ARG  10   7.026  11.973   0.963
   66   1HH2  ARG  10          1HH1      ARG  10   5.129  11.504  -1.873
   67   2HH2  ARG  10          2HH1      ARG  10   5.956  12.671  -0.725
   68    H    ASP  11           H        ASP  11   7.090   6.850  -3.911
   69    HA   ASP  11           HA       ASP  11   8.883   5.225  -5.827
   70   1HB   ASP  11          1HB       ASP  11   7.562   7.391  -6.523
   71   2HB   ASP  11          2HB       ASP  11   8.675   8.323  -5.539
   72    HD2  ASP  11           HD2      ASP  11  10.949   8.581  -8.082
   73    H    TRP  12           H        TRP  12   9.540   4.836  -3.269
   74    HA   TRP  12           HA       TRP  12  12.363   5.863  -2.837
   75   1HB   TRP  12          1HB       TRP  12  10.169   6.637  -0.770
   76   2HB   TRP  12          2HB       TRP  12  11.882   6.900  -0.569
   77    HD1  TRP  12           HD1      TRP  12   8.760   8.517  -2.022
   78    HE1  TRP  12           HE1      TRP  12   9.242  10.843  -3.153
   79    HE3  TRP  12           HE3      TRP  12  13.843   8.079  -2.063
   80    HZ2  TRP  12           HZ2      TRP  12  11.649  12.161  -3.961
   81    HZ3  TRP  12           HZ3      TRP  12  15.185   9.880  -3.100
   82    HH2  TRP  12           HH2      TRP  12  14.106  11.887  -4.034
   83    H    TYR  13           H        TYR  13   9.562   4.225  -1.165
   84    HA   TYR  13           HA       TYR  13  11.467   2.802   0.717
   85   1HB   TYR  13          1HB       TYR  13   8.377   2.998   0.561
   86   2HB   TYR  13          2HB       TYR  13   9.241   2.155   1.812
   87    HD1  TYR  13           HD1      TYR  13  10.533   3.395   3.578
   88    HD2  TYR  13           HD2      TYR  13   8.193   5.481   0.629
   89    HE1  TYR  13           HE1      TYR  13  10.511   5.399   5.000
   90    HE2  TYR  13           HE2      TYR  13   8.190   7.481   2.063
   91    HH   TYR  13           HH       TYR  13   9.809   7.493   5.230
   92    H    ASP  14           H        ASP  14   8.630   1.024   0.054
   93    HA   ASP  14           HA       ASP  14   9.882  -0.993  -1.804
   94   1HB   ASP  14          1HB       ASP  14   9.622  -1.542   1.250
   95   2HB   ASP  14          2HB       ASP  14   9.715  -2.841   0.086
   96    HD1  ASP  14           HD2      ASP  14  13.066  -2.389  -0.754
   97    H    GLU  15           H        GLU  15   8.497  -2.872  -2.070
   98    HA   GLU  15           HA       GLU  15   5.743  -2.008  -2.633
   99   1HB   GLU  15          1HB       GLU  15   7.101  -4.794  -2.862
  100   2HB   GLU  15          2HB       GLU  15   5.491  -4.440  -3.469
  101   1HG   GLU  15          1HG       GLU  15   6.409  -2.691  -5.036
  102   2HG   GLU  15          2HG       GLU  15   8.041  -3.028  -4.468
  103    HE1  GLU  15           HE2      GLU  15   6.131  -5.518  -7.007
  104    H    CYS  16           H        CYS  16   3.754  -2.692  -1.857
  105    HA   CYS  16           HA       CYS  16   3.565  -3.713   0.883
  106   1HB   CYS  16          1HB       CYS  16   1.390  -3.225  -1.253
  107   2HB   CYS  16          2HB       CYS  16   1.042  -3.520   0.399
  108    H    CYS  17           H        CYS  17   2.675  -5.467   1.475
  109    HA   CYS  17           HA       CYS  17   3.812  -7.974   0.525
  110   1HB   CYS  17          1HB       CYS  17   1.404  -7.410   2.432
  111   2HB   CYS  17          2HB       CYS  17   2.318  -8.934   2.416
  112    H    GLU  18           H        GLU  18   2.580 -10.061   0.521
  113    HA   GLU  18           HA       GLU  18   0.638 -10.158  -1.825
  114   1HB   GLU  18          1HB       GLU  18   2.430 -12.345  -0.565
  115   2HB   GLU  18          2HB       GLU  18   1.125 -12.697  -1.692
  116   1HG   GLU  18          1HG       GLU  18   2.157 -11.246  -3.448
  117   2HG   GLU  18          2HG       GLU  18   3.480 -10.827  -2.366
  118    HE1  GLU  18           HE2      GLU  18   5.179 -13.832  -2.684
  119    H    GLY  19           H        GLY  19  -0.848  -9.462  -0.719
  120   1HA   GLY  19          1HA       GLY  19  -3.054 -10.600   0.289
  121   2HA   GLY  19          2HA       GLY  19  -2.088 -10.662   1.776
  122    H    PHE  20           H        PHE  20  -0.956  -7.926   0.448
  123    HA   PHE  20           HA       PHE  20  -3.304  -6.099   1.171
  124   1HB   PHE  20          1HB       PHE  20  -0.395  -5.293   1.730
  125   2HB   PHE  20          2HB       PHE  20  -1.780  -4.333   1.938
  126    HD1  PHE  20           HD2      PHE  20  -0.525  -7.687   3.341
  127    HD2  PHE  20           HD1      PHE  20  -2.630  -4.010   4.092
  128    HE1  PHE  20           HE2      PHE  20  -0.798  -8.304   5.694
  129    HE2  PHE  20           HE1      PHE  20  -3.037  -4.723   6.385
  130    HZ   PHE  20           HZ       PHE  20  -2.066  -6.817   7.228
  131    H    TYR  21           H        TYR  21  -3.448  -4.478  -0.139
  132    HA   TYR  21           HA       TYR  21  -1.829  -4.320  -2.764
  133   1HB   TYR  21          1HB       TYR  21  -3.637  -3.294  -3.872
  134   2HB   TYR  21          2HB       TYR  21  -4.290  -4.697  -3.112
  135    HD1  TYR  21           HD2      TYR  21  -4.377  -1.001  -3.251
  136    HD2  TYR  21           HD1      TYR  21  -5.998  -4.432  -1.227
  137    HE1  TYR  21           HE2      TYR  21  -6.261   0.352  -2.449
  138    HE2  TYR  21           HE1      TYR  21  -7.904  -3.080  -0.475
  139    HH   TYR  21           HH       TYR  21  -8.151   0.379  -1.282
  140    H    CYS  22           H        CYS  22  -0.716  -2.486  -3.161
  141    HA   CYS  22           HA       CYS  22  -0.239  -0.536  -1.035
  142   1HB   CYS  22          1HB       CYS  22   1.507  -1.317  -2.646
  143   2HB   CYS  22          2HB       CYS  22   0.629  -0.644  -4.013
  144    H    SER  23           H        SER  23  -2.049   0.509  -0.587
  145    HA   SER  23           HA       SER  23  -3.846   1.987  -2.494
  146   1HB   SER  23          1HB       SER  23  -4.628   1.126  -0.273
  147   2HB   SER  23          2HB       SER  23  -3.496   2.277   0.558
  148    HG   SER  23           HG       SER  23  -4.659   3.950  -0.480
  149    H    CYS  24           H        CYS  24  -3.063   3.693  -3.583
  150    HA   CYS  24           HA       CYS  24  -0.941   5.509  -2.304
  151   1HB   CYS  24          1HB       CYS  24  -1.422   4.897  -5.273
  152   2HB   CYS  24          2HB       CYS  24  -0.226   6.030  -4.590
  153    H    ARG  25           H        ARG  25  -2.683   6.445  -1.277
  154    HA   ARG  25           HA       ARG  25  -5.066   7.610  -2.262
  155   1HB   ARG  25          1HB       ARG  25  -5.148   8.880  -0.120
  156   2HB   ARG  25          2HB       ARG  25  -4.631   7.236   0.118
  157   1HG   ARG  25          1HG       ARG  25  -2.196   8.092   0.317
  158   2HG   ARG  25          2HG       ARG  25  -2.813   9.733   0.271
  159   1HD   ARG  25          1HD       ARG  25  -3.597   7.607   2.373
  160   2HD   ARG  25          2HD       ARG  25  -2.327   8.815   2.579
  161   1HH1  ARG  25          2HH2      ARG  25  -3.486   8.304   4.602
  162   2HH1  ARG  25          1HH2      ARG  25  -4.545   9.216   5.791
  163   1HH2  ARG  25          1HH1      ARG  25  -5.915  11.240   3.364
  164   2HH2  ARG  25          2HH1      ARG  25  -5.827  10.766   5.134
  165    H    GLN  26           H        GLN  26  -2.071   9.507  -1.840
  166    HA   GLN  26           HA       GLN  26  -3.054  11.407  -4.052
  167   1HB   GLN  26          1HB       GLN  26  -1.635  12.312  -1.469
  168   2HB   GLN  26          2HB       GLN  26  -1.807  13.307  -2.897
  169   1HG   GLN  26          1HG       GLN  26  -4.149  12.224  -1.204
  170   2HG   GLN  26          2HG       GLN  26  -3.455  13.825  -1.086
  171   1HE2  GLN  26          2HE2      GLN  26  -6.366  13.359  -3.811
  172   2HE2  GLN  26          1HE2      GLN  26  -5.948  12.140  -2.504
  173    HA   PRO  27           HA       PRO  27   0.828   8.944  -4.915
  174   1HB   PRO  27          1HB       PRO  27   0.249   9.994  -7.762
  175   2HB   PRO  27          2HB       PRO  27   0.788   8.371  -7.275
  176   1HG   PRO  27          1HG       PRO  27  -1.834   8.773  -7.832
  177   2HG   PRO  27          2HG       PRO  27  -1.406   7.816  -6.393
  178   1HD   PRO  27          1HD       PRO  27  -2.297  10.747  -6.504
  179   2HD   PRO  27          2HD       PRO  27  -2.768   9.460  -5.357
  180    HA   PRO  28           HA       PRO  28   3.002   8.373  -5.507
  181   1HB   PRO  28          1HB       PRO  28   5.565   8.601  -4.508
  182   2HB   PRO  28          2HB       PRO  28   5.162   9.001  -6.180
  183   1HG   PRO  28          1HG       PRO  28   5.452  10.939  -3.828
  184   2HG   PRO  28          2HG       PRO  28   6.220  11.050  -5.430
  185   1HD   PRO  28          1HD       PRO  28   3.875  12.414  -4.817
  186   2HD   PRO  28          2HD       PRO  28   4.185  11.794  -6.465
  187    H    LYS  29           H        LYS  29   2.241  10.449  -2.905
  188    HA   LYS  29           HA       LYS  29   3.181   8.922  -0.609
  189   1HB   LYS  29          1HB       LYS  29   1.954  11.386  -0.921
  190   2HB   LYS  29          2HB       LYS  29   0.542  10.496  -0.427
  191   1HG   LYS  29          1HG       LYS  29   3.219  10.785   1.084
  192   2HG   LYS  29          2HG       LYS  29   1.746  11.682   1.407
  193   1HD   LYS  29          1HD       LYS  29   0.579   9.534   2.083
  194   2HD   LYS  29          2HD       LYS  29   2.068   8.637   1.828
  195   1HE   LYS  29          1HE       LYS  29   1.741  10.932   3.873
  196   2HE   LYS  29          2HE       LYS  29   1.618   9.213   4.245
  197   1HZ   LYS  29          1HZ       LYS  29   3.790  10.024   4.759
  198   2HZ   LYS  29          2HZ       LYS  29   3.902   8.913   3.565
  199    H    CYS  30           H        CYS  30   2.638   7.027   0.058
  200    HA   CYS  30           HA       CYS  30  -0.111   5.763  -0.435
  201   1HB   CYS  30          1HB       CYS  30   2.012   5.285  -2.182
  202   2HB   CYS  30          2HB       CYS  30   2.317   4.097  -0.985
  203    H    ILE  31           H        ILE  31  -0.143   3.786   0.394
  204    HA   ILE  31           HA       ILE  31   1.590   2.895   2.682
  205    HB   ILE  31           HB       ILE  31  -0.385   2.226   4.306
  206   1HG1  ILE  31          1HG1      ILE  31  -1.978   4.476   2.921
  207   2HG1  ILE  31          2HG1      ILE  31  -2.130   2.758   2.500
  208   1HG2  ILE  31          3HG2      ILE  31   0.281   5.209   4.049
  209   2HG2  ILE  31          1HG2      ILE  31  -0.375   4.343   5.476
  210   3HG2  ILE  31          2HG2      ILE  31   1.229   3.924   4.895
  211   1HD1  ILE  31          3HD1      ILE  31  -2.716   2.110   4.803
  212   2HD1  ILE  31          1HD1      ILE  31  -2.627   3.808   5.335
  213   3HD1  ILE  31          2HD1      ILE  31  -3.863   3.300   4.143
  214    H    CYS  32           H        CYS  32   0.707   0.705   3.527
  215    HA   CYS  32           HA       CYS  32  -0.317  -1.022   1.350
  216   1HB   CYS  32          1HB       CYS  32   0.850  -1.496   4.081
  217   2HB   CYS  32          2HB       CYS  32   0.485  -2.713   2.945
  218    H    ARG  33           H        ARG  33  -1.951  -2.096   1.712
  219    HA   ARG  33           HA       ARG  33  -4.054  -1.549   3.889
  220   1HB   ARG  33          1HB       ARG  33  -4.193   0.510   2.518
  221   2HB   ARG  33          2HB       ARG  33  -4.073  -0.445   1.019
  222   1HG   ARG  33          1HG       ARG  33  -6.253   0.465   1.236
  223   2HG   ARG  33          2HG       ARG  33  -6.266  -1.286   1.225
  224   1HD   ARG  33          1HD       ARG  33  -6.484  -1.160   3.859
  225   2HD   ARG  33          2HD       ARG  33  -6.775   0.574   3.653
  226   1HH1  ARG  33          1HH2      ARG  33  -9.768  -1.554   5.586
  227   2HH1  ARG  33          2HH2      ARG  33  -8.022  -1.051   5.333
  228   1HH2  ARG  33          1HH1      ARG  33 -10.588  -1.194   2.261
  229   2HH2  ARG  33          2HH1      ARG  33 -11.122  -1.628   3.962
  230    H    ASN  34           H        ASN  34  -5.325  -3.192   4.185
  231    HA   ASN  34           HA       ASN  34  -4.930  -5.721   2.777
  232   1HB   ASN  34          1HB       ASN  34  -6.654  -6.605   4.360
  233   2HB   ASN  34          2HB       ASN  34  -5.411  -5.699   5.155
  234   1HD2  ASN  34          1HD2      ASN  34  -7.832  -3.624   6.801
  235   2HD2  ASN  34          2HD2      ASN  34  -6.110  -4.242   6.659
  236    H    ASN  35           H        ASN  35  -6.179  -6.936   1.506
  237    HA   ASN  35           HA       ASN  35  -8.127  -5.602  -0.353
  238   1HB   ASN  35          1HB       ASN  35  -7.086  -8.526  -0.158
  239   2HB   ASN  35          2HB       ASN  35  -8.241  -7.994  -1.352
  240   1HD2  ASN  35          1HD2      ASN  35  -4.333  -7.210  -2.106
  241   2HD2  ASN  35          2HD2      ASN  35  -4.888  -8.040  -0.567
  242    H    ASN  36           H        ASN  36  -8.482  -8.648   1.577
  243    HA   ASN  36           HA       ASN  36 -10.310  -9.664   2.699
  244   1HB   ASN  36          1HB       ASN  36 -11.322  -6.731   2.982
  245   2HB   ASN  36          2HB       ASN  36 -12.075  -8.122   3.726
  246   1HD2  ASN  36          1HD2      ASN  36 -10.122  -6.893   6.508
  247   2HD2  ASN  36          2HD2      ASN  36 -11.701  -6.685   5.596
  248   1HN   NH2  37          1HN       NH2  37 -11.140 -11.022   0.888
  249   2HN   NH2  37          2HN       NH2  37 -12.527 -10.491  -0.088
   
  No H/Q in entry =         249
  Start of MODEL    3
    1   1H    GLU   1          1H        GLU   1  10.087  -9.782   5.893
    2   2H    GLU   1          2H        GLU   1   9.420  -8.342   6.287
    3    HA   GLU   1           HA       GLU   1   8.870  -9.872   3.797
    4   1HB   GLU   1          1HB       GLU   1   7.996 -10.847   6.012
    5   2HB   GLU   1          2HB       GLU   1   7.151  -9.347   6.330
    6   1HG   GLU   1          1HG       GLU   1   5.556 -10.956   5.528
    7   2HG   GLU   1          2HG       GLU   1   5.702  -9.728   4.292
    8    HE2  GLU   1           HE2      GLU   1   6.855 -11.880   1.849
    9    H    CYS   2           H        CYS   2   9.057  -8.207   2.372
   10    HA   CYS   2           HA       CYS   2   8.922  -6.160   1.276
   11   1HB   CYS   2          1HB       CYS   2   5.952  -6.394   2.004
   12   2HB   CYS   2          2HB       CYS   2   6.676  -6.186   0.413
   13    H    VAL   3           H        VAL   3   6.600  -4.336   1.584
   14    HA   VAL   3           HA       VAL   3   7.146  -2.855   4.206
   15    HB   VAL   3           HB       VAL   3   5.509  -1.980   1.773
   16   1HG1  VAL   3          3HG2      VAL   3   4.742  -0.844   3.903
   17   2HG1  VAL   3          1HG2      VAL   3   6.395  -0.341   4.294
   18   3HG1  VAL   3          2HG2      VAL   3   5.560   0.348   2.890
   19   1HG2  VAL   3          2HG1      VAL   3   7.981  -1.937   1.171
   20   2HG2  VAL   3          3HG1      VAL   3   7.340  -0.291   1.280
   21   3HG2  VAL   3          1HG1      VAL   3   8.334  -0.952   2.605
   22    HA   PRO   4           HA       PRO   4   2.773  -4.865   4.678
   23   1HB   PRO   4          1HB       PRO   4   2.665  -5.434   7.280
   24   2HB   PRO   4          2HB       PRO   4   3.933  -6.236   6.330
   25   1HG   PRO   4          1HG       PRO   4   4.206  -3.559   7.877
   26   2HG   PRO   4          2HG       PRO   4   4.952  -5.087   8.201
   27   1HD   PRO   4          1HD       PRO   4   6.102  -3.060   6.481
   28   2HD   PRO   4          2HD       PRO   4   6.414  -4.792   6.114
   29    H    GLU   5           H        GLU   5   1.318  -4.188   6.921
   30    HA   GLU   5           HA       GLU   5  -0.078  -1.972   5.750
   31   1HB   GLU   5          1HB       GLU   5  -0.828  -3.978   7.166
   32   2HB   GLU   5          2HB       GLU   5  -0.568  -3.023   8.575
   33   1HG   GLU   5          1HG       GLU   5  -2.088  -2.538   5.959
   34   2HG   GLU   5          2HG       GLU   5  -2.899  -3.243   7.281
   35    HE1  GLU   5           HE2      GLU   5  -3.636  -0.470   9.161
   36    H    ASN   6           H        ASN   6  -0.650  -0.179   6.411
   37    HA   ASN   6           HA       ASN   6  -0.158   2.084   6.639
   38   1HB   ASN   6          1HB       ASN   6   1.004   1.516   9.458
   39   2HB   ASN   6          2HB       ASN   6   0.100   2.847   8.755
   40   1HD2  ASN   6          1HD2      ASN   6  -2.084   0.168  10.766
   41   2HD2  ASN   6          2HD2      ASN   6  -0.251   0.126  10.690
   42    H    GLY   7           H        GLY   7   2.442   0.042   6.356
   43   1HA   GLY   7          1HA       GLY   7   4.756   1.949   6.570
   44   2HA   GLY   7          2HA       GLY   7   4.795   0.452   5.780
   45    H    HIS   8           H        HIS   8   5.390   3.033   5.069
   46    HA   HIS   8           HA       HIS   8   3.455   3.943   2.952
   47   1HB   HIS   8          1HB       HIS   8   6.128   5.266   3.815
   48   2HB   HIS   8          2HB       HIS   8   5.019   5.967   2.657
   49    HD2  HIS   8           HD2      HIS   8   2.522   6.856   3.607
   50    HE1  HIS   8           HE1      HIS   8   3.534   6.782   7.633
   51    HE2  HIS   8           HE2      HIS   8   1.733   7.629   6.008
   52    H    CYS   9           H        CYS   9   3.628   3.537   0.663
   53    HA   CYS   9           HA       CYS   9   6.172   1.946   0.011
   54   1HB   CYS   9          1HB       CYS   9   4.888   0.498  -1.213
   55   2HB   CYS   9          2HB       CYS   9   3.821   0.757   0.126
   56    H    ARG  10           H        ARG  10   6.694   1.831  -2.097
   57    HA   ARG  10           HA       ARG  10   6.089   4.025  -4.050
   58   1HB   ARG  10          1HB       ARG  10   8.182   4.876  -3.114
   59   2HB   ARG  10          2HB       ARG  10   8.938   3.296  -3.132
   60   1HG   ARG  10          1HG       ARG  10   9.901   4.640  -4.871
   61   2HG   ARG  10          2HG       ARG  10   9.063   3.276  -5.589
   62   1HD   ARG  10          1HD       ARG  10   7.110   4.794  -6.192
   63   2HD   ARG  10          2HD       ARG  10   7.964   6.171  -5.467
   64   1HH1  ARG  10          2HH2      ARG  10   6.634   6.634  -7.487
   65   2HH1  ARG  10          1HH2      ARG  10   6.974   7.210  -9.195
   66   1HH2  ARG  10          1HH1      ARG  10  10.069   5.703  -9.325
   67   2HH2  ARG  10          2HH1      ARG  10   8.791   6.716 -10.165
   68    H    ASP  11           H        ASP  11   4.965   2.564  -5.156
   69    HA   ASP  11           HA       ASP  11   5.542  -0.319  -5.363
   70   1HB   ASP  11          1HB       ASP  11   3.243   0.964  -5.344
   71   2HB   ASP  11          2HB       ASP  11   3.535   1.353  -7.033
   72    HD1  ASP  11           HD2      ASP  11   2.574  -2.399  -5.756
   73    H    TRP  12           H        TRP  12   7.674   0.489  -6.170
   74    HA   TRP  12           HA       TRP  12   8.215  -0.283  -9.044
   75   1HB   TRP  12          1HB       TRP  12   8.925   2.497  -7.855
   76   2HB   TRP  12          2HB       TRP  12   9.722   1.839  -9.253
   77    HD1  TRP  12           HD1      TRP  12   6.252   3.297  -8.188
   78    HE1  TRP  12           HE1      TRP  12   4.947   4.186 -10.298
   79    HE3  TRP  12           HE3      TRP  12   9.453   1.397 -11.685
   80    HZ2  TRP  12           HZ2      TRP  12   5.409   3.980 -13.114
   81    HZ3  TRP  12           HZ3      TRP  12   8.968   1.777 -14.079
   82    HH2  TRP  12           HH2      TRP  12   6.979   3.047 -14.782
   83    H    TYR  13           H        TYR  13   9.637   1.154  -6.035
   84    HA   TYR  13           HA       TYR  13  12.076  -0.713  -6.236
   85   1HB   TYR  13          1HB       TYR  13  11.859   2.066  -4.881
   86   2HB   TYR  13          2HB       TYR  13  13.278   1.057  -4.915
   87    HD1  TYR  13           HD2      TYR  13  14.480   0.619  -7.165
   88    HD2  TYR  13           HD1      TYR  13  11.286   3.482  -6.810
   89    HE1  TYR  13           HE2      TYR  13  15.142   1.637  -9.302
   90    HE2  TYR  13           HE1      TYR  13  11.952   4.484  -8.948
   91    HH   TYR  13           HH       TYR  13  14.714   3.210 -10.808
   92    H    ASP  14           H        ASP  14  10.346   1.131  -3.605
   93    HA   ASP  14           HA       ASP  14  10.636  -1.329  -1.767
   94   1HB   ASP  14          1HB       ASP  14  11.785   0.843  -1.121
   95   2HB   ASP  14          2HB       ASP  14  10.241   1.676  -1.125
   96    HD1  ASP  14           HD2      ASP  14  11.095  -1.041   1.801
   97    H    GLU  15           H        GLU  15   8.845  -2.290  -2.863
   98    HA   GLU  15           HA       GLU  15   6.137  -0.985  -2.855
   99   1HB   GLU  15          1HB       GLU  15   5.495  -3.024  -4.176
  100   2HB   GLU  15          2HB       GLU  15   6.869  -2.184  -4.815
  101   1HG   GLU  15          1HG       GLU  15   7.373  -4.426  -5.188
  102   2HG   GLU  15          2HG       GLU  15   8.426  -3.989  -3.868
  103    HE1  GLU  15           HE2      GLU  15   5.524  -6.777  -3.501
  104    H    CYS  16           H        CYS  16   4.177  -1.931  -2.070
  105    HA   CYS  16           HA       CYS  16   4.299  -3.213   0.563
  106   1HB   CYS  16          1HB       CYS  16   2.398  -1.759  -0.195
  107   2HB   CYS  16          2HB       CYS  16   1.690  -3.022  -1.193
  108    H    CYS  17           H        CYS  17   3.513  -5.135   1.083
  109    HA   CYS  17           HA       CYS  17   4.550  -7.510  -0.382
  110   1HB   CYS  17          1HB       CYS  17   2.737  -7.221   2.038
  111   2HB   CYS  17          2HB       CYS  17   2.682  -8.784   1.206
  112    H    GLU  18           H        GLU  18   3.457  -9.223  -1.286
  113    HA   GLU  18           HA       GLU  18   0.950  -8.721  -2.907
  114   1HB   GLU  18          1HB       GLU  18   1.534 -10.696  -4.203
  115   2HB   GLU  18          2HB       GLU  18   2.844  -9.539  -4.219
  116   1HG   GLU  18          1HG       GLU  18   3.996 -11.001  -2.391
  117   2HG   GLU  18          2HG       GLU  18   2.739 -12.200  -2.682
  118    HE1  GLU  18           HE2      GLU  18   3.926 -13.272  -5.753
  119    H    GLY  19           H        GLY  19  -0.253  -8.866  -1.565
  120   1HA   GLY  19          1HA       GLY  19  -1.870 -10.856  -0.527
  121   2HA   GLY  19          2HA       GLY  19  -0.724 -10.576   0.820
  122    H    PHE  20           H        PHE  20  -0.403  -7.768   0.255
  123    HA   PHE  20           HA       PHE  20  -3.119  -6.529   0.986
  124   1HB   PHE  20          1HB       PHE  20  -0.367  -5.185   1.298
  125   2HB   PHE  20          2HB       PHE  20  -1.893  -4.495   1.707
  126    HD1  PHE  20           HD1      PHE  20   0.675  -6.919   2.795
  127    HD2  PHE  20           HD2      PHE  20  -3.047  -5.060   3.838
  128    HE1  PHE  20           HE1      PHE  20   1.000  -7.578   5.148
  129    HE2  PHE  20           HE2      PHE  20  -2.737  -5.749   6.175
  130    HZ   PHE  20           HZ       PHE  20  -0.709  -6.999   6.840
  131    H    TYR  21           H        TYR  21  -3.543  -4.585  -0.194
  132    HA   TYR  21           HA       TYR  21  -2.193  -4.295  -2.957
  133   1HB   TYR  21          1HB       TYR  21  -4.068  -3.264  -3.855
  134   2HB   TYR  21          2HB       TYR  21  -4.694  -4.660  -3.061
  135    HD1  TYR  21           HD2      TYR  21  -4.655  -0.959  -3.130
  136    HD2  TYR  21           HD1      TYR  21  -6.241  -4.376  -1.057
  137    HE1  TYR  21           HE2      TYR  21  -6.411   0.446  -2.150
  138    HE2  TYR  21           HE1      TYR  21  -8.014  -2.962  -0.102
  139    HH   TYR  21           HH       TYR  21  -8.878  -0.925   0.027
  140    H    CYS  22           H        CYS  22  -0.937  -2.324  -3.231
  141    HA   CYS  22           HA       CYS  22  -0.657  -0.659  -0.825
  142   1HB   CYS  22          1HB       CYS  22   1.262  -1.325  -2.409
  143   2HB   CYS  22          2HB       CYS  22   0.608  -0.161  -3.553
  144    H    SER  23           H        SER  23  -2.153   0.565  -0.479
  145    HA   SER  23           HA       SER  23  -4.006   2.057  -2.365
  146   1HB   SER  23          1HB       SER  23  -4.728   1.337  -0.076
  147   2HB   SER  23          2HB       SER  23  -3.516   2.465   0.654
  148    HG   SER  23           HG       SER  23  -5.693   3.143  -1.058
  149    H    CYS  24           H        CYS  24  -3.051   3.577  -3.624
  150    HA   CYS  24           HA       CYS  24  -0.867   5.405  -2.464
  151   1HB   CYS  24          1HB       CYS  24  -1.297   4.560  -5.387
  152   2HB   CYS  24          2HB       CYS  24  -0.060   5.679  -4.751
  153    H    ARG  25           H        ARG  25  -2.612   6.548  -1.605
  154    HA   ARG  25           HA       ARG  25  -4.866   7.685  -2.891
  155   1HB   ARG  25          1HB       ARG  25  -4.202   7.548  -0.317
  156   2HB   ARG  25          2HB       ARG  25  -3.352   9.056  -0.546
  157   1HG   ARG  25          1HG       ARG  25  -5.492   9.568   0.415
  158   2HG   ARG  25          2HG       ARG  25  -5.546  10.153  -1.233
  159   1HD   ARG  25          1HD       ARG  25  -7.687   9.117  -0.708
  160   2HD   ARG  25          2HD       ARG  25  -6.894   8.133  -1.934
  161   1HH1  ARG  25          2HH2      ARG  25  -8.644   6.932  -1.867
  162   2HH1  ARG  25          1HH2      ARG  25  -9.267   5.329  -1.227
  163   1HH2  ARG  25          1HH1      ARG  25  -7.172   5.349   1.506
  164   2HH2  ARG  25          2HH1      ARG  25  -8.487   4.495   0.554
  165    H    GLN  26           H        GLN  26  -1.825   9.475  -2.367
  166    HA   GLN  26           HA       GLN  26  -2.444  11.137  -4.876
  167   1HB   GLN  26          1HB       GLN  26  -2.858  12.588  -2.855
  168   2HB   GLN  26          2HB       GLN  26  -1.234  12.279  -2.277
  169   1HG   GLN  26          1HG       GLN  26  -1.293  14.465  -3.303
  170   2HG   GLN  26          2HG       GLN  26  -0.257  13.447  -4.274
  171   1HE2  GLN  26          2HE2      GLN  26  -2.294  13.956  -7.214
  172   2HE2  GLN  26          1HE2      GLN  26  -0.804  13.202  -6.455
  173    HA   PRO  27           HA       PRO  27   1.392   8.452  -5.046
  174   1HB   PRO  27          1HB       PRO  27   1.098   9.079  -8.052
  175   2HB   PRO  27          2HB       PRO  27   1.490   7.526  -7.281
  176   1HG   PRO  27          1HG       PRO  27  -1.040   7.977  -8.156
  177   2HG   PRO  27          2HG       PRO  27  -0.807   7.205  -6.570
  178   1HD   PRO  27          1HD       PRO  27  -1.498  10.135  -7.149
  179   2HD   PRO  27          2HD       PRO  27  -2.161   9.038  -5.906
  180    HA   PRO  28           HA       PRO  28   3.581   7.747  -5.480
  181   1HB   PRO  28          1HB       PRO  28   6.144   8.006  -4.519
  182   2HB   PRO  28          2HB       PRO  28   5.757   8.274  -6.222
  183   1HG   PRO  28          1HG       PRO  28   6.050  10.406  -4.034
  184   2HG   PRO  28          2HG       PRO  28   6.876  10.352  -5.614
  185   1HD   PRO  28          1HD       PRO  28   4.551  11.820  -5.214
  186   2HD   PRO  28          2HD       PRO  28   4.889  11.030  -6.783
  187    H    LYS  29           H        LYS  29   2.654  10.031  -3.222
  188    HA   LYS  29           HA       LYS  29   3.451   8.692  -0.697
  189   1HB   LYS  29          1HB       LYS  29   1.052  10.588  -1.210
  190   2HB   LYS  29          2HB       LYS  29   1.613  10.055   0.361
  191   1HG   LYS  29          1HG       LYS  29   3.831  11.180   0.010
  192   2HG   LYS  29          2HG       LYS  29   3.315  11.723  -1.589
  193   1HD   LYS  29          1HD       LYS  29   1.400  13.009  -0.543
  194   2HD   LYS  29          2HD       LYS  29   1.929  12.486   1.061
  195   1HE   LYS  29          1HE       LYS  29   4.161  13.658   0.705
  196   2HE   LYS  29          2HE       LYS  29   3.629  14.181  -0.900
  197   1HZ   LYS  29          1HZ       LYS  29   1.792  15.365   0.169
  198   2HZ   LYS  29          2HZ       LYS  29   2.284  14.883   1.651
  199    H    CYS  30           H        CYS  30   2.706   6.894   0.041
  200    HA   CYS  30           HA       CYS  30  -0.051   5.731  -0.564
  201   1HB   CYS  30          1HB       CYS  30   2.034   5.114  -2.283
  202   2HB   CYS  30          2HB       CYS  30   2.352   3.975  -1.043
  203    H    ILE  31           H        ILE  31  -0.080   3.616   0.294
  204    HA   ILE  31           HA       ILE  31   1.670   2.768   2.504
  205    HB   ILE  31           HB       ILE  31  -0.243   2.139   4.293
  206   1HG1  ILE  31          1HG1      ILE  31  -1.727   4.545   3.063
  207   2HG1  ILE  31          2HG1      ILE  31  -2.067   2.838   2.687
  208   1HG2  ILE  31          2HG2      ILE  31   1.590   3.683   4.719
  209   2HG2  ILE  31          3HG2      ILE  31   0.585   5.067   4.134
  210   3HG2  ILE  31          1HG2      ILE  31   0.107   4.080   5.557
  211   1HD1  ILE  31          2HD1      ILE  31  -2.454   2.272   5.072
  212   2HD1  ILE  31          3HD1      ILE  31  -2.174   3.964   5.543
  213   3HD1  ILE  31          1HD1      ILE  31  -3.571   3.541   4.508
  214    H    CYS  32           H        CYS  32   0.784   0.675   3.492
  215    HA   CYS  32           HA       CYS  32  -0.297  -1.174   1.437
  216   1HB   CYS  32          1HB       CYS  32   0.878  -1.290   4.187
  217   2HB   CYS  32          2HB       CYS  32   0.153  -2.683   3.566
  218    H    ARG  33           H        ARG  33  -1.991  -2.120   1.778
  219    HA   ARG  33           HA       ARG  33  -4.099  -1.447   3.896
  220   1HB   ARG  33          1HB       ARG  33  -3.988   0.545   2.296
  221   2HB   ARG  33          2HB       ARG  33  -4.275  -0.582   0.939
  222   1HG   ARG  33          1HG       ARG  33  -6.215   0.770   1.552
  223   2HG   ARG  33          2HG       ARG  33  -6.492  -0.959   1.553
  224   1HD   ARG  33          1HD       ARG  33  -7.721   0.095   3.428
  225   2HD   ARG  33          2HD       ARG  33  -6.537  -1.057   4.023
  226   1HH1  ARG  33          2HH2      ARG  33  -6.793  -0.839   5.972
  227   2HH1  ARG  33          1HH2      ARG  33  -6.270   0.062   7.482
  228   1HH2  ARG  33          1HH1      ARG  33  -5.149   2.805   5.734
  229   2HH2  ARG  33          2HH1      ARG  33  -5.405   1.982   7.354
  230    H    ASN  34           H        ASN  34  -5.390  -3.069   4.239
  231    HA   ASN  34           HA       ASN  34  -5.064  -5.606   2.738
  232   1HB   ASN  34          1HB       ASN  34  -6.469  -6.594   4.487
  233   2HB   ASN  34          2HB       ASN  34  -5.261  -5.577   5.198
  234   1HD2  ASN  34          1HD2      ASN  34  -9.155  -4.827   6.116
  235   2HD2  ASN  34          2HD2      ASN  34  -8.636  -6.179   4.990
  236    H    ASN  35           H        ASN  35  -6.336  -6.603   1.391
  237    HA   ASN  35           HA       ASN  35  -8.753  -5.263   0.156
  238   1HB   ASN  35          1HB       ASN  35  -8.789  -7.160  -1.414
  239   2HB   ASN  35          2HB       ASN  35  -7.237  -6.396  -1.368
  240   1HD2  ASN  35          1HD2      ASN  35  -7.354 -10.390  -0.704
  241   2HD2  ASN  35          2HD2      ASN  35  -8.855  -9.397  -1.067
  242    H    ASN  36           H        ASN  36 -10.740  -5.593   0.764
  243    HA   ASN  36           HA       ASN  36 -11.565  -8.038   2.438
  244   1HB   ASN  36          1HB       ASN  36 -11.131  -5.944   3.854
  245   2HB   ASN  36          2HB       ASN  36 -12.378  -5.092   2.972
  246   1HD2  ASN  36          1HD2      ASN  36 -14.958  -6.573   5.025
  247   2HD2  ASN  36          2HD2      ASN  36 -14.507  -5.425   3.667
  248   1HN   NH2  37          1HN       NH2  37 -12.908  -9.278   0.943
  249   2HN   NH2  37          2HN       NH2  37 -14.217  -8.537  -0.004
   
  No H/Q in entry =         249
  Start of MODEL    4
    1   1H    GLU   1          1H        GLU   1  11.873 -10.228   2.641
    2   2H    GLU   1          2H        GLU   1  10.854  -9.719   3.813
    3    HA   GLU   1           HA       GLU   1  10.291  -9.666   0.900
    4   1HB   GLU   1          1HB       GLU   1  10.369 -11.975   1.961
    5   2HB   GLU   1          2HB       GLU   1   9.227 -11.473   3.190
    6   1HG   GLU   1          1HG       GLU   1   8.071 -12.818   1.546
    7   2HG   GLU   1          2HG       GLU   1   7.429 -11.192   1.455
    8    HE2  GLU   1           HE2      GLU   1   8.314 -10.681  -1.829
    9    H    CYS   2           H        CYS   2   8.993  -8.083   0.451
   10    HA   CYS   2           HA       CYS   2   7.297  -6.520   0.403
   11   1HB   CYS   2          1HB       CYS   2   5.558  -7.737   0.640
   12   2HB   CYS   2          2HB       CYS   2   5.958  -8.804   1.925
   13    H    VAL   3           H        VAL   3   6.074  -5.228   1.388
   14    HA   VAL   3           HA       VAL   3   7.013  -3.640   3.883
   15    HB   VAL   3           HB       VAL   3   5.431  -2.632   1.458
   16   1HG1  VAL   3          1HG2      VAL   3   6.346  -0.987   3.956
   17   2HG1  VAL   3          2HG2      VAL   3   5.655  -0.265   2.489
   18   3HG1  VAL   3          3HG2      VAL   3   4.678  -1.341   3.476
   19   1HG2  VAL   3          2HG1      VAL   3   7.916  -2.811   0.932
   20   2HG2  VAL   3          3HG1      VAL   3   7.453  -1.102   1.017
   21   3HG2  VAL   3          1HG1      VAL   3   8.324  -1.857   2.374
   22    HA   PRO   4           HA       PRO   4   2.730  -5.417   4.964
   23   1HB   PRO   4          1HB       PRO   4   3.765  -4.164   7.681
   24   2HB   PRO   4          2HB       PRO   4   2.759  -5.626   7.485
   25   1HG   PRO   4          1HG       PRO   4   5.338  -6.080   7.805
   26   2HG   PRO   4          2HG       PRO   4   4.381  -6.740   6.415
   27   1HD   PRO   4          1HD       PRO   4   6.143  -4.109   6.385
   28   2HD   PRO   4          2HD       PRO   4   6.451  -5.577   5.397
   29    H    GLU   5           H        GLU   5   1.119  -4.477   6.642
   30    HA   GLU   5           HA       GLU   5  -0.224  -2.123   5.447
   31   1HB   GLU   5          1HB       GLU   5  -1.384  -3.952   6.209
   32   2HB   GLU   5          2HB       GLU   5  -0.570  -3.934   7.776
   33   1HG   GLU   5          1HG       GLU   5  -1.559  -2.350   8.611
   34   2HG   GLU   5          2HG       GLU   5  -2.297  -1.557   7.189
   35    HE1  GLU   5           HE2      GLU   5  -5.023  -3.760   6.934
   36    H    ASN   6           H        ASN   6  -0.511  -0.379   6.159
   37    HA   ASN   6           HA       ASN   6   0.083   1.896   6.704
   38   1HB   ASN   6          1HB       ASN   6   0.474   2.468   9.025
   39   2HB   ASN   6          2HB       ASN   6  -0.726   1.228   8.993
   40   1HD2  ASN   6          1HD2      ASN   6   1.075  -0.634  11.459
   41   2HD2  ASN   6          2HD2      ASN   6  -0.487  -0.256  10.578
   42    H    GLY   7           H        GLY   7   2.328  -0.252   5.903
   43   1HA   GLY   7          1HA       GLY   7   4.891   1.338   6.245
   44   2HA   GLY   7          2HA       GLY   7   4.725  -0.047   5.307
   45    H    HIS   8           H        HIS   8   5.432   2.611   4.892
   46    HA   HIS   8           HA       HIS   8   3.481   3.904   2.996
   47   1HB   HIS   8          1HB       HIS   8   6.340   4.843   3.749
   48   2HB   HIS   8          2HB       HIS   8   5.246   5.754   2.730
   49    HD2  HIS   8           HD2      HIS   8   2.794   6.631   3.940
   50    HE1  HIS   8           HE1      HIS   8   4.203   6.360   7.833
   51    HE2  HIS   8           HE2      HIS   8   2.277   7.325   6.433
   52    H    CYS   9           H        CYS   9   3.381   3.662   0.752
   53    HA   CYS   9           HA       CYS   9   5.737   2.155  -0.531
   54   1HB   CYS   9          1HB       CYS   9   4.108   0.568  -1.300
   55   2HB   CYS   9          2HB       CYS   9   3.859   0.673   0.401
   56    H    ARG  10           H        ARG  10   6.148   4.506  -1.159
   57    HA   ARG  10           HA       ARG  10   4.398   5.637  -3.396
   58   1HB   ARG  10          1HB       ARG  10   5.220   7.741  -2.383
   59   2HB   ARG  10          2HB       ARG  10   4.207   6.775  -1.367
   60   1HG   ARG  10          1HG       ARG  10   5.903   7.932  -0.061
   61   2HG   ARG  10          2HG       ARG  10   5.990   6.199   0.155
   62   1HD   ARG  10          1HD       ARG  10   8.000   6.105  -1.392
   63   2HD   ARG  10          2HD       ARG  10   7.922   7.868  -1.590
   64   1HH1  ARG  10          2HH2      ARG  10  10.130   6.490  -1.426
   65   2HH1  ARG  10          1HH2      ARG  10  11.580   6.528  -0.302
   66   1HH2  ARG  10          1HH1      ARG  10   9.731   7.536   2.417
   67   2HH2  ARG  10          2HH1      ARG  10  11.367   7.079   1.723
   68    H    ASP  11           H        ASP  11   6.550   7.397  -3.421
   69    HA   ASP  11           HA       ASP  11   7.744   6.799  -6.068
   70   1HB   ASP  11          1HB       ASP  11   8.098   9.150  -4.066
   71   2HB   ASP  11          2HB       ASP  11   9.055   9.011  -5.505
   72    HD2  ASP  11           HD2      ASP  11   5.212  10.180  -5.686
   73    H    TRP  12           H        TRP  12   8.786   5.379  -5.864
   74    HA   TRP  12           HA       TRP  12  10.665   3.772  -5.978
   75   1HB   TRP  12          1HB       TRP  12  12.872   4.228  -5.142
   76   2HB   TRP  12          2HB       TRP  12  12.338   5.550  -6.114
   77    HD1  TRP  12           HD1      TRP  12  12.423   8.013  -5.069
   78    HE1  TRP  12           HE1      TRP  12  13.534   9.083  -2.926
   79    HE3  TRP  12           HE3      TRP  12  13.195   3.627  -2.567
   80    HZ2  TRP  12           HZ2      TRP  12  14.540   7.978  -0.488
   81    HZ3  TRP  12           HZ3      TRP  12  14.212   3.700  -0.315
   82    HH2  TRP  12           HH2      TRP  12  14.871   5.840   0.709
   83    H    TYR  13           H        TYR  13  10.216   1.963  -4.860
   84    HA   TYR  13           HA       TYR  13  10.027   1.792  -1.977
   85   1HB   TYR  13          1HB       TYR  13   7.709   1.604  -1.689
   86   2HB   TYR  13          2HB       TYR  13   7.829   3.035  -2.638
   87    HD1  TYR  13           HD2      TYR  13   7.564   2.467  -5.442
   88    HD2  TYR  13           HD1      TYR  13   5.998   0.128  -2.205
   89    HE1  TYR  13           HE2      TYR  13   5.905   1.478  -6.957
   90    HE2  TYR  13           HE1      TYR  13   4.330  -0.857  -3.722
   91    HH   TYR  13           HH       TYR  13   3.537  -0.923  -5.791
   92    H    ASP  14           H        ASP  14  10.082  -0.024  -1.538
   93    HA   ASP  14           HA       ASP  14  10.220  -2.536  -3.255
   94   1HB   ASP  14          1HB       ASP  14  10.178  -2.329  -0.158
   95   2HB   ASP  14          2HB       ASP  14  10.293  -3.838  -1.039
   96    HD2  ASP  14           HD2      ASP  14  13.507  -1.531  -0.512
   97    H    GLU  15           H        GLU  15   8.523  -3.944  -3.598
   98    HA   GLU  15           HA       GLU  15   5.861  -2.895  -3.644
   99   1HB   GLU  15          1HB       GLU  15   6.965  -4.777  -5.074
  100   2HB   GLU  15          2HB       GLU  15   6.663  -5.901  -3.753
  101   1HG   GLU  15          1HG       GLU  15   4.152  -5.474  -4.034
  102   2HG   GLU  15          2HG       GLU  15   4.503  -4.320  -5.316
  103    HE1  GLU  15           HE2      GLU  15   4.758  -8.321  -5.903
  104    H    CYS  16           H        CYS  16   3.955  -3.123  -2.479
  105    HA   CYS  16           HA       CYS  16   4.058  -3.927   0.320
  106   1HB   CYS  16          1HB       CYS  16   2.403  -2.263  -0.609
  107   2HB   CYS  16          2HB       CYS  16   1.399  -3.525  -1.320
  108    H    CYS  17           H        CYS  17   2.921  -5.470   1.280
  109    HA   CYS  17           HA       CYS  17   3.536  -8.219   0.724
  110   1HB   CYS  17          1HB       CYS  17   1.258  -6.949   2.364
  111   2HB   CYS  17          2HB       CYS  17   1.366  -8.692   2.284
  112    H    GLU  18           H        GLU  18   2.279 -10.091   0.370
  113    HA   GLU  18           HA       GLU  18   0.129  -9.929  -1.792
  114   1HB   GLU  18          1HB       GLU  18   2.067 -12.229  -1.058
  115   2HB   GLU  18          2HB       GLU  18   0.535 -12.514  -1.861
  116   1HG   GLU  18          1HG       GLU  18   1.959 -12.330  -3.669
  117   2HG   GLU  18          2HG       GLU  18   1.144 -10.779  -3.643
  118    HE2  GLU  18           HE2      GLU  18   4.011  -8.918  -3.253
  119    H    GLY  19           H        GLY  19  -1.199  -9.382  -0.605
  120   1HA   GLY  19          1HA       GLY  19  -3.236 -10.445   0.759
  121   2HA   GLY  19          2HA       GLY  19  -2.078 -10.496   2.108
  122    H    PHE  20           H        PHE  20  -1.007  -7.771   0.808
  123    HA   PHE  20           HA       PHE  20  -3.332  -5.941   1.496
  124   1HB   PHE  20          1HB       PHE  20  -0.612  -4.924   2.321
  125   2HB   PHE  20          2HB       PHE  20  -2.154  -4.304   2.697
  126    HD1  PHE  20           HD1      PHE  20  -3.723  -5.715   4.359
  127    HD2  PHE  20           HD2      PHE  20   0.555  -5.999   4.152
  128    HE1  PHE  20           HE1      PHE  20  -3.670  -6.623   6.623
  129    HE2  PHE  20           HE2      PHE  20   0.594  -6.941   6.404
  130    HZ   PHE  20           HZ       PHE  20  -1.510  -7.193   7.671
  131    H    TYR  21           H        TYR  21  -3.467  -4.648  -0.065
  132    HA   TYR  21           HA       TYR  21  -1.497  -4.534  -2.425
  133   1HB   TYR  21          1HB       TYR  21  -3.239  -3.696  -3.795
  134   2HB   TYR  21          2HB       TYR  21  -3.942  -5.000  -2.913
  135    HD1  TYR  21           HD1      TYR  21  -3.983  -1.331  -3.468
  136    HD2  TYR  21           HD2      TYR  21  -5.814  -4.528  -1.247
  137    HE1  TYR  21           HE1      TYR  21  -5.858   0.139  -2.884
  138    HE2  TYR  21           HE2      TYR  21  -7.705  -3.055  -0.705
  139    HH   TYR  21           HH       TYR  21  -8.574  -1.029  -0.892
  140    H    CYS  22           H        CYS  22  -0.482  -2.645  -3.066
  141    HA   CYS  22           HA       CYS  22  -0.133  -0.525  -1.088
  142   1HB   CYS  22          1HB       CYS  22   1.675  -1.312  -2.637
  143   2HB   CYS  22          2HB       CYS  22   0.789  -0.742  -4.049
  144    H    SER  23           H        SER  23  -1.958   0.457  -0.763
  145    HA   SER  23           HA       SER  23  -3.658   1.949  -2.777
  146   1HB   SER  23          1HB       SER  23  -4.571   1.122  -0.594
  147   2HB   SER  23          2HB       SER  23  -3.483   2.281   0.282
  148    HG   SER  23           HG       SER  23  -4.552   3.943  -0.862
  149    H    CYS  24           H        CYS  24  -2.799   3.693  -3.808
  150    HA   CYS  24           HA       CYS  24  -0.884   5.598  -2.322
  151   1HB   CYS  24          1HB       CYS  24  -0.995   5.029  -5.334
  152   2HB   CYS  24          2HB       CYS  24  -0.008   6.262  -4.499
  153    H    ARG  25           H        ARG  25  -2.686   6.451  -1.468
  154    HA   ARG  25           HA       ARG  25  -5.094   7.453  -2.564
  155   1HB   ARG  25          1HB       ARG  25  -3.450   8.590  -0.191
  156   2HB   ARG  25          2HB       ARG  25  -5.109   9.054  -0.516
  157   1HG   ARG  25          1HG       ARG  25  -5.959   6.791  -0.133
  158   2HG   ARG  25          2HG       ARG  25  -4.331   6.119  -0.008
  159   1HD   ARG  25          1HD       ARG  25  -3.858   7.467   2.041
  160   2HD   ARG  25          2HD       ARG  25  -5.450   8.242   1.938
  161   1HH1  ARG  25          2HH2      ARG  25  -4.371   7.693   4.181
  162   2HH1  ARG  25          1HH2      ARG  25  -4.886   6.682   5.623
  163   1HH2  ARG  25          1HH1      ARG  25  -6.567   4.378   3.691
  164   2HH2  ARG  25          2HH1      ARG  25  -6.046   4.931   5.361
  165    H    GLN  26           H        GLN  26  -2.348   9.638  -1.895
  166    HA   GLN  26           HA       GLN  26  -2.804  11.039  -4.534
  167   1HB   GLN  26          1HB       GLN  26  -4.224  12.301  -2.791
  168   2HB   GLN  26          2HB       GLN  26  -2.761  12.757  -1.954
  169   1HG   GLN  26          1HG       GLN  26  -3.499  13.451  -4.879
  170   2HG   GLN  26          2HG       GLN  26  -3.762  14.501  -3.509
  171   1HE2  GLN  26          2HE2      GLN  26  -0.264  15.533  -3.331
  172   2HE2  GLN  26          1HE2      GLN  26  -1.779  15.271  -2.331
  173    HA   PRO  27           HA       PRO  27   1.628   9.872  -3.521
  174   1HB   PRO  27          1HB       PRO  27   1.914  10.936  -6.406
  175   2HB   PRO  27          2HB       PRO  27   2.717   9.532  -5.667
  176   1HG   PRO  27          1HG       PRO  27   0.538   9.131  -7.233
  177   2HG   PRO  27          2HG       PRO  27   0.665   8.235  -5.701
  178   1HD   PRO  27          1HD       PRO  27  -1.046  10.697  -6.303
  179   2HD   PRO  27          2HD       PRO  27  -1.439   9.254  -5.319
  180    HA   PRO  28           HA       PRO  28   3.958  10.073  -3.167
  181   1HB   PRO  28          1HB       PRO  28   5.720  11.001  -1.271
  182   2HB   PRO  28          2HB       PRO  28   5.837  11.508  -2.960
  183   1HG   PRO  28          1HG       PRO  28   4.410  13.003  -0.681
  184   2HG   PRO  28          2HG       PRO  28   5.708  13.639  -1.737
  185   1HD   PRO  28          1HD       PRO  28   3.043  14.080  -2.304
  186   2HD   PRO  28          2HD       PRO  28   4.206  13.780  -3.630
  187    H    LYS  29           H        LYS  29   1.428  11.209  -1.335
  188    HA   LYS  29           HA       LYS  29   1.842   9.461   1.070
  189   1HB   LYS  29          1HB       LYS  29   0.299  11.405   1.188
  190   2HB   LYS  29          2HB       LYS  29  -0.708  10.766  -0.095
  191   1HG   LYS  29          1HG       LYS  29  -1.802  10.457   2.053
  192   2HG   LYS  29          2HG       LYS  29  -1.489   8.908   1.296
  193   1HD   LYS  29          1HD       LYS  29   0.561   8.622   2.822
  194   2HD   LYS  29          2HD       LYS  29   0.127  10.136   3.623
  195   1HE   LYS  29          1HE       LYS  29  -2.110   9.118   4.298
  196   2HE   LYS  29          2HE       LYS  29  -1.688   7.623   3.450
  197   1HZ   LYS  29          1HZ       LYS  29  -1.221   7.444   5.776
  198   2HZ   LYS  29          2HZ       LYS  29   0.175   7.333   4.934
  199    H    CYS  30           H        CYS  30   1.924   7.418   0.911
  200    HA   CYS  30           HA       CYS  30  -0.289   5.792  -0.315
  201   1HB   CYS  30          1HB       CYS  30   1.939   5.810  -1.895
  202   2HB   CYS  30          2HB       CYS  30   2.393   4.598  -0.765
  203    H    ILE  31           H        ILE  31  -0.175   3.871   0.428
  204    HA   ILE  31           HA       ILE  31   1.619   2.798   2.523
  205    HB   ILE  31           HB       ILE  31  -0.299   2.102   4.319
  206   1HG1  ILE  31          1HG1      ILE  31  -1.651   4.673   3.285
  207   2HG1  ILE  31          2HG1      ILE  31  -2.097   3.016   2.803
  208   1HG2  ILE  31          2HG2      ILE  31   1.643   3.480   4.820
  209   2HG2  ILE  31          3HG2      ILE  31   0.747   4.970   4.334
  210   3HG2  ILE  31          1HG2      ILE  31   0.205   3.947   5.703
  211   1HD1  ILE  31          2HD1      ILE  31  -2.490   2.330   5.153
  212   2HD1  ILE  31          3HD1      ILE  31  -2.105   3.979   5.717
  213   3HD1  ILE  31          1HD1      ILE  31  -3.533   3.694   4.675
  214    H    CYS  32           H        CYS  32   0.705   0.728   3.418
  215    HA   CYS  32           HA       CYS  32  -0.369  -1.053   1.317
  216   1HB   CYS  32          1HB       CYS  32   0.924  -1.256   4.029
  217   2HB   CYS  32          2HB       CYS  32   0.168  -2.620   3.353
  218    H    ARG  33           H        ARG  33  -1.989  -1.960   1.638
  219    HA   ARG  33           HA       ARG  33  -4.207  -1.291   3.697
  220   1HB   ARG  33          1HB       ARG  33  -4.019   0.619   2.033
  221   2HB   ARG  33          2HB       ARG  33  -4.176  -0.562   0.700
  222   1HG   ARG  33          1HG       ARG  33  -6.139   0.832   1.092
  223   2HG   ARG  33          2HG       ARG  33  -6.431  -0.891   1.057
  224   1HD   ARG  33          1HD       ARG  33  -7.839   0.254   2.795
  225   2HD   ARG  33          2HD       ARG  33  -6.818  -0.992   3.482
  226   1HH1  ARG  33          2HH2      ARG  33  -6.946  -0.945   5.402
  227   2HH1  ARG  33          1HH2      ARG  33  -6.414  -0.161   6.973
  228   1HH2  ARG  33          1HH1      ARG  33  -5.324   2.716   5.439
  229   2HH2  ARG  33          2HH1      ARG  33  -5.560   1.764   6.990
  230    H    ASN  34           H        ASN  34  -5.551  -2.878   4.075
  231    HA   ASN  34           HA       ASN  34  -5.205  -5.512   2.862
  232   1HB   ASN  34          1HB       ASN  34  -6.940  -6.251   4.429
  233   2HB   ASN  34          2HB       ASN  34  -5.878  -5.153   5.243
  234   1HD2  ASN  34          1HD2      ASN  34  -9.856  -4.283   5.211
  235   2HD2  ASN  34          2HD2      ASN  34  -9.152  -5.761   4.384
  236    H    ASN  35           H        ASN  35  -6.323  -6.724   1.573
  237    HA   ASN  35           HA       ASN  35  -8.084  -5.510  -0.511
  238   1HB   ASN  35          1HB       ASN  35  -7.338  -8.475  -0.025
  239   2HB   ASN  35          2HB       ASN  35  -8.165  -7.887  -1.430
  240   1HD2  ASN  35          1HD2      ASN  35  -5.136  -7.039  -3.129
  241   2HD2  ASN  35          2HD2      ASN  35  -6.966  -7.181  -3.158
  242    H    ASN  36           H        ASN  36 -10.059  -6.451  -1.133
  243    HA   ASN  36           HA       ASN  36 -12.415  -6.707  -0.864
  244   1HB   ASN  36          1HB       ASN  36 -11.477  -9.070  -0.233
  245   2HB   ASN  36          2HB       ASN  36 -11.620  -8.636   1.452
  246   1HD2  ASN  36          1HD2      ASN  36 -15.016  -9.674  -0.628
  247   2HD2  ASN  36          2HD2      ASN  36 -13.418  -9.375  -1.480
  248   1HN   NH2  37          1HN       NH2  37 -13.138  -4.498  -0.258
  249   2HN   NH2  37          2HN       NH2  37 -13.405  -4.052   1.442
   
  No H/Q in entry =         249
  Start of MODEL    5
    1   1H    GLU   1          1H        GLU   1   9.533 -10.411  -0.397
    2   2H    GLU   1          2H        GLU   1  11.164 -10.478  -0.483
    3    HA   GLU   1           HA       GLU   1  10.481  -9.179   1.415
    4   1HB   GLU   1          1HB       GLU   1  12.620  -8.689   0.132
    5   2HB   GLU   1          2HB       GLU   1  11.798  -7.506  -0.859
    6   1HG   GLU   1          1HG       GLU   1  12.084  -7.318   2.222
    7   2HG   GLU   1          2HG       GLU   1  13.255  -6.664   1.096
    8    HE1  GLU   1           HE2      GLU   1  11.236  -4.019  -0.038
    9    H    CYS   2           H        CYS   2   8.516  -8.551   1.979
   10    HA   CYS   2           HA       CYS   2   7.117  -6.346   0.397
   11   1HB   CYS   2          1HB       CYS   2   5.459  -7.684   0.460
   12   2HB   CYS   2          2HB       CYS   2   5.833  -8.803   1.718
   13    H    VAL   3           H        VAL   3   5.925  -5.215   1.453
   14    HA   VAL   3           HA       VAL   3   6.820  -3.721   4.005
   15    HB   VAL   3           HB       VAL   3   5.077  -2.686   1.697
   16   1HG1  VAL   3          3HG2      VAL   3   4.569  -1.467   3.848
   17   2HG1  VAL   3          1HG2      VAL   3   6.278  -1.075   4.099
   18   3HG1  VAL   3          2HG2      VAL   3   5.377  -0.359   2.746
   19   1HG2  VAL   3          2HG1      VAL   3   7.442  -2.810   0.854
   20   2HG2  VAL   3          3HG1      VAL   3   6.995  -1.115   1.069
   21   3HG2  VAL   3          1HG1      VAL   3   8.046  -1.915   2.267
   22    HA   PRO   4           HA       PRO   4   2.409  -5.450   4.894
   23   1HB   PRO   4          1HB       PRO   4   2.370  -5.563   7.563
   24   2HB   PRO   4          2HB       PRO   4   3.517  -6.610   6.705
   25   1HG   PRO   4          1HG       PRO   4   4.081  -3.748   7.760
   26   2HG   PRO   4          2HG       PRO   4   4.682  -5.277   8.319
   27   1HD   PRO   4          1HD       PRO   4   5.986  -3.726   6.262
   28   2HD   PRO   4          2HD       PRO   4   6.031  -5.517   6.125
   29    H    GLU   5           H        GLU   5   1.022  -4.417   6.956
   30    HA   GLU   5           HA       GLU   5  -0.144  -2.116   5.489
   31   1HB   GLU   5          1HB       GLU   5  -1.426  -3.878   6.178
   32   2HB   GLU   5          2HB       GLU   5  -0.860  -3.787   7.858
   33   1HG   GLU   5          1HG       GLU   5  -1.854  -2.042   8.362
   34   2HG   GLU   5          2HG       GLU   5  -2.410  -1.425   6.785
   35    HE1  GLU   5           HE2      GLU   5  -4.603  -4.108   8.877
   36    H    ASN   6           H        ASN   6  -0.554  -0.321   6.201
   37    HA   ASN   6           HA       ASN   6  -0.011   1.871   6.667
   38   1HB   ASN   6          1HB       ASN   6  -0.406   0.476   9.184
   39   2HB   ASN   6          2HB       ASN   6   1.171   1.085   9.338
   40   1HD2  ASN   6          1HD2      ASN   6  -2.257   3.436   9.422
   41   2HD2  ASN   6          2HD2      ASN   6  -2.174   1.750   8.743
   42    H    GLY   7           H        GLY   7   2.385  -0.306   6.103
   43   1HA   GLY   7          1HA       GLY   7   4.834   1.431   6.362
   44   2HA   GLY   7          2HA       GLY   7   4.760  -0.005   5.494
   45    H    HIS   8           H        HIS   8   5.426   2.613   4.930
   46    HA   HIS   8           HA       HIS   8   3.473   3.728   2.897
   47   1HB   HIS   8          1HB       HIS   8   6.182   4.914   3.830
   48   2HB   HIS   8          2HB       HIS   8   5.054   5.730   2.771
   49    HD2  HIS   8           HD2      HIS   8   2.620   6.607   3.867
   50    HE1  HIS   8           HE1      HIS   8   3.751   6.173   7.838
   51    HE2  HIS   8           HE2      HIS   8   1.937   7.214   6.346
   52    H    CYS   9           H        CYS   9   3.653   3.734   0.590
   53    HA   CYS   9           HA       CYS   9   6.340   2.766  -0.511
   54   1HB   CYS   9          2HB       CYS   9   5.281   1.404  -1.985
   55   2HB   CYS   9          1HB       CYS   9   4.400   1.011  -0.551
   56    H    ARG  10           H        ARG  10   6.615   3.483  -2.890
   57    HA   ARG  10           HA       ARG  10   5.615   6.299  -3.310
   58   1HB   ARG  10          1HB       ARG  10   8.021   5.857  -2.255
   59   2HB   ARG  10          2HB       ARG  10   8.398   5.101  -3.783
   60   1HG   ARG  10          1HG       ARG  10   7.795   7.486  -4.845
   61   2HG   ARG  10          2HG       ARG  10   7.767   8.033  -3.186
   62   1HD   ARG  10          1HD       ARG  10   9.963   8.515  -4.176
   63   2HD   ARG  10          2HD       ARG  10  10.141   7.372  -2.861
   64   1HH1  ARG  10          2HH2      ARG  10   9.582   8.347  -6.306
   65   2HH1  ARG  10          1HH2      ARG  10  10.255   7.585  -7.834
   66   1HH2  ARG  10          1HH1      ARG  10  11.637   4.912  -6.159
   67   2HH2  ARG  10          2HH1      ARG  10  11.340   5.770  -7.754
   68    H    ASP  11           H        ASP  11   7.028   6.274  -5.502
   69    HA   ASP  11           HA       ASP  11   5.199   5.076  -7.605
   70   1HB   ASP  11          1HB       ASP  11   7.355   7.304  -7.711
   71   2HB   ASP  11          2HB       ASP  11   6.597   6.656  -9.128
   72    HD1  ASP  11           HD2      ASP  11   3.490   8.141  -8.650
   73    H    TRP  12           H        TRP  12   6.007   3.139  -7.155
   74    HA   TRP  12           HA       TRP  12   7.099   1.025  -7.465
   75   1HB   TRP  12          1HB       TRP  12   8.468   0.576  -9.392
   76   2HB   TRP  12          2HB       TRP  12   6.962   1.294  -9.859
   77    HD1  TRP  12           HD1      TRP  12   7.011   3.768 -11.095
   78    HE1  TRP  12           HE1      TRP  12   8.828   4.996 -12.558
   79    HE3  TRP  12           HE3      TRP  12  10.986   0.937  -9.578
   80    HZ2  TRP  12           HZ2      TRP  12  11.646   4.643 -12.879
   81    HZ3  TRP  12           HZ3      TRP  12  13.224   1.433 -10.503
   82    HH2  TRP  12           HH2      TRP  12  13.550   3.257 -12.124
   83    H    TYR  13           H        TYR  13   8.178   0.761  -5.816
   84    HA   TYR  13           HA       TYR  13  11.079   1.586  -5.392
   85   1HB   TYR  13          1HB       TYR  13   9.713   3.612  -4.792
   86   2HB   TYR  13          2HB       TYR  13   8.728   2.699  -3.693
   87    HD1  TYR  13           HD1      TYR  13  12.404   3.539  -4.269
   88    HD2  TYR  13           HD2      TYR  13   9.257   2.940  -1.393
   89    HE1  TYR  13           HE1      TYR  13  13.908   4.249  -2.460
   90    HE2  TYR  13           HE2      TYR  13  10.768   3.657   0.402
   91    HH   TYR  13           HH       TYR  13  12.805   4.358   0.929
   92    H    ASP  14           H        ASP  14   8.573   0.779  -2.989
   93    HA   ASP  14           HA       ASP  14   9.699  -2.068  -2.709
   94   1HB   ASP  14          1HB       ASP  14   9.260  -0.081  -0.368
   95   2HB   ASP  14          2HB       ASP  14   9.411  -1.817  -0.164
   96    HD2  ASP  14           HD2      ASP  14  12.659   0.424  -0.887
   97    H    GLU  15           H        GLU  15   8.068  -3.332  -3.083
   98    HA   GLU  15           HA       GLU  15   5.285  -2.344  -3.282
   99   1HB   GLU  15          1HB       GLU  15   6.566  -4.001  -4.851
  100   2HB   GLU  15          2HB       GLU  15   6.346  -5.244  -3.627
  101   1HG   GLU  15          1HG       GLU  15   3.793  -4.928  -3.886
  102   2HG   GLU  15          2HG       GLU  15   4.101  -3.712  -5.118
  103    HE1  GLU  15           HE2      GLU  15   4.502  -7.666  -5.855
  104    H    CYS  16           H        CYS  16   3.471  -2.897  -2.172
  105    HA   CYS  16           HA       CYS  16   3.622  -3.901   0.584
  106   1HB   CYS  16          1HB       CYS  16   1.245  -3.268  -1.293
  107   2HB   CYS  16          2HB       CYS  16   1.016  -3.545   0.375
  108    H    CYS  17           H        CYS  17   2.607  -5.578   1.323
  109    HA   CYS  17           HA       CYS  17   3.390  -8.177   0.515
  110   1HB   CYS  17          1HB       CYS  17   1.047  -7.259   2.318
  111   2HB   CYS  17          2HB       CYS  17   1.347  -8.969   2.122
  112    H    GLU  18           H        GLU  18   2.111 -10.160   0.237
  113    HA   GLU  18           HA       GLU  18  -0.043  -9.993  -1.930
  114   1HB   GLU  18          1HB       GLU  18   0.393 -12.335  -2.457
  115   2HB   GLU  18          2HB       GLU  18   1.857 -11.392  -2.621
  116   1HG   GLU  18          1HG       GLU  18   2.511 -12.266  -0.240
  117   2HG   GLU  18          2HG       GLU  18   1.155 -13.379  -0.389
  118    HE1  GLU  18           HE2      GLU  18   2.631 -15.480  -2.719
  119    H    GLY  19           H        GLY  19  -1.302  -9.348  -0.615
  120   1HA   GLY  19          1HA       GLY  19  -3.388 -10.450   0.692
  121   2HA   GLY  19          2HA       GLY  19  -2.211 -10.506   2.026
  122    H    PHE  20           H        PHE  20  -1.109  -7.826   0.703
  123    HA   PHE  20           HA       PHE  20  -3.378  -5.931   1.402
  124   1HB   PHE  20          1HB       PHE  20  -0.590  -5.053   2.176
  125   2HB   PHE  20          2HB       PHE  20  -2.071  -4.289   2.513
  126    HD1  PHE  20           HD2      PHE  20  -3.778  -5.461   4.205
  127    HD2  PHE  20           HD1      PHE  20   0.446  -6.151   4.079
  128    HE1  PHE  20           HE2      PHE  20  -3.853  -6.304   6.494
  129    HE2  PHE  20           HE1      PHE  20   0.371  -6.995   6.378
  130    HZ   PHE  20           HZ       PHE  20  -1.775  -7.026   7.611
  131    H    TYR  21           H        TYR  21  -3.510  -4.686  -0.171
  132    HA   TYR  21           HA       TYR  21  -1.550  -4.474  -2.544
  133   1HB   TYR  21          1HB       TYR  21  -3.291  -3.621  -3.889
  134   2HB   TYR  21          2HB       TYR  21  -4.037  -4.915  -3.023
  135    HD1  TYR  21           HD1      TYR  21  -5.707  -4.310  -1.079
  136    HD2  TYR  21           HD2      TYR  21  -4.106  -1.320  -3.727
  137    HE1  TYR  21           HE1      TYR  21  -7.483  -2.752  -0.412
  138    HE2  TYR  21           HE2      TYR  21  -5.865   0.237  -3.019
  139    HH   TYR  21           HH       TYR  21  -8.311  -0.711  -0.605
  140    H    CYS  22           H        CYS  22  -0.542  -2.343  -3.142
  141    HA   CYS  22           HA       CYS  22  -0.397  -0.516  -0.842
  142   1HB   CYS  22          1HB       CYS  22   1.570  -1.180  -2.384
  143   2HB   CYS  22          2HB       CYS  22   0.869  -0.098  -3.580
  144    H    SER  23           H        SER  23  -2.156   0.494  -0.583
  145    HA   SER  23           HA       SER  23  -3.881   1.916  -2.607
  146   1HB   SER  23          1HB       SER  23  -4.720   1.130  -0.352
  147   2HB   SER  23          2HB       SER  23  -3.630   2.341   0.445
  148    HG   SER  23           HG       SER  23  -5.789   3.056   0.170
  149    H    CYS  24           H        CYS  24  -2.911   3.470  -3.781
  150    HA   CYS  24           HA       CYS  24  -0.981   5.457  -2.437
  151   1HB   CYS  24          1HB       CYS  24  -1.009   4.604  -5.389
  152   2HB   CYS  24          2HB       CYS  24   0.110   5.725  -4.557
  153    H    ARG  25           H        ARG  25  -2.892   6.496  -1.825
  154    HA   ARG  25           HA       ARG  25  -5.068   7.446  -3.406
  155   1HB   ARG  25          1HB       ARG  25  -3.850   8.674  -0.830
  156   2HB   ARG  25          2HB       ARG  25  -5.413   9.150  -1.473
  157   1HG   ARG  25          1HG       ARG  25  -6.362   6.898  -1.171
  158   2HG   ARG  25          2HG       ARG  25  -4.794   6.231  -0.729
  159   1HD   ARG  25          1HD       ARG  25  -4.741   7.781   1.327
  160   2HD   ARG  25          2HD       ARG  25  -6.360   8.320   0.906
  161   1HH1  ARG  25          2HH2      ARG  25  -3.762   5.892   1.500
  162   2HH1  ARG  25          1HH2      ARG  25  -3.859   4.302   2.411
  163   1HH2  ARG  25          1HH1      ARG  25  -7.285   4.425   2.714
  164   2HH2  ARG  25          2HH1      ARG  25  -5.719   3.530   3.050
  165    H    GLN  26           H        GLN  26  -2.217   9.424  -2.569
  166    HA   GLN  26           HA       GLN  26  -2.560  10.912  -5.213
  167   1HB   GLN  26          1HB       GLN  26  -3.580  12.415  -3.473
  168   2HB   GLN  26          2HB       GLN  26  -2.105  12.371  -2.529
  169   1HG   GLN  26          1HG       GLN  26  -2.220  14.466  -3.740
  170   2HG   GLN  26          2HG       GLN  26  -0.851  13.560  -4.336
  171   1HE2  GLN  26          2HE2      GLN  26  -2.132  13.601  -7.711
  172   2HE2  GLN  26          1HE2      GLN  26  -0.789  13.139  -6.550
  173    HA   PRO  27           HA       PRO  27   1.635   8.898  -4.502
  174   1HB   PRO  27          1HB       PRO  27   1.797   9.477  -7.522
  175   2HB   PRO  27          2HB       PRO  27   2.314   8.021  -6.644
  176   1HG   PRO  27          1HG       PRO  27  -0.047   8.000  -7.989
  177   2HG   PRO  27          2HG       PRO  27   0.027   7.268  -6.371
  178   1HD   PRO  27          1HD       PRO  27  -1.091  10.015  -7.138
  179   2HD   PRO  27          2HD       PRO  27  -1.744   8.804  -5.996
  180    HA   PRO  28           HA       PRO  28   4.054   8.687  -4.535
  181   1HB   PRO  28          1HB       PRO  28   6.139   9.532  -2.913
  182   2HB   PRO  28          2HB       PRO  28   6.168   9.718  -4.671
  183   1HG   PRO  28          1HG       PRO  28   5.381  11.815  -2.575
  184   2HG   PRO  28          2HG       PRO  28   6.561  11.991  -3.901
  185   1HD   PRO  28          1HD       PRO  28   3.949  12.864  -4.155
  186   2HD   PRO  28          2HD       PRO  28   4.822  12.173  -5.554
  187    H    LYS  29           H        LYS  29   2.110  10.553  -2.516
  188    HA   LYS  29           HA       LYS  29   2.622   9.202   0.083
  189   1HB   LYS  29          1HB       LYS  29   1.444  11.466  -0.250
  190   2HB   LYS  29          2HB       LYS  29   0.053  10.618  -0.911
  191   1HG   LYS  29          1HG       LYS  29  -0.207   9.388   1.320
  192   2HG   LYS  29          2HG       LYS  29   1.190  10.258   1.931
  193   1HD   LYS  29          1HD       LYS  29  -0.751  11.392   2.784
  194   2HD   LYS  29          2HD       LYS  29  -0.005  12.452   1.611
  195   1HE   LYS  29          1HE       LYS  29  -2.403  12.605   1.315
  196   2HE   LYS  29          2HE       LYS  29  -1.777  11.792  -0.112
  197   1HZ   LYS  29          1HZ       LYS  29  -2.439   9.669   0.908
  198   2HZ   LYS  29          2HZ       LYS  29  -3.016  10.441   2.228
  199    H    CYS  30           H        CYS  30   2.242   7.190   0.467
  200    HA   CYS  30           HA       CYS  30  -0.262   5.727  -0.375
  201   1HB   CYS  30          1HB       CYS  30   1.799   5.384  -2.122
  202   2HB   CYS  30          2HB       CYS  30   2.274   4.226  -0.936
  203    H    ILE  31           H        ILE  31  -0.214   3.739   0.442
  204    HA   ILE  31           HA       ILE  31   1.624   2.740   2.536
  205    HB   ILE  31           HB       ILE  31  -0.213   2.024   4.342
  206   1HG1  ILE  31          1HG1      ILE  31  -1.752   4.477   3.294
  207   2HG1  ILE  31          2HG1      ILE  31  -2.100   2.797   2.822
  208   1HG2  ILE  31          2HG2      ILE  31   1.619   3.575   4.792
  209   2HG2  ILE  31          3HG2      ILE  31   0.599   4.970   4.266
  210   3HG2  ILE  31          1HG2      ILE  31   0.154   3.955   5.678
  211   1HD1  ILE  31          2HD1      ILE  31  -2.431   2.091   5.175
  212   2HD1  ILE  31          3HD1      ILE  31  -2.146   3.757   5.736
  213   3HD1  ILE  31          1HD1      ILE  31  -3.563   3.387   4.705
  214    H    CYS  32           H        CYS  32   0.744   0.577   3.409
  215    HA   CYS  32           HA       CYS  32  -0.373  -1.099   1.244
  216   1HB   CYS  32          1HB       CYS  32   0.877  -1.561   3.919
  217   2HB   CYS  32          2HB       CYS  32   0.455  -2.816   2.847
  218    H    ARG  33           H        ARG  33  -2.054  -2.118   1.637
  219    HA   ARG  33           HA       ARG  33  -4.092  -1.458   3.841
  220   1HB   ARG  33          1HB       ARG  33  -4.074   0.530   2.276
  221   2HB   ARG  33          2HB       ARG  33  -4.216  -0.576   0.884
  222   1HG   ARG  33          1HG       ARG  33  -6.253   0.596   1.249
  223   2HG   ARG  33          2HG       ARG  33  -6.470  -1.136   1.422
  224   1HD   ARG  33          1HD       ARG  33  -6.376  -0.777   4.021
  225   2HD   ARG  33          2HD       ARG  33  -6.361   0.967   3.707
  226   1HH1  ARG  33          2HH2      ARG  33  -7.631   0.132   5.664
  227   2HH1  ARG  33          1HH2      ARG  33  -9.387   0.120   6.195
  228   1HH2  ARG  33          1HH1      ARG  33 -10.590  -0.094   2.974
  229   2HH2  ARG  33          2HH1      ARG  33 -10.949   0.000   4.771
  230    H    ASN  34           H        ASN  34  -5.651  -2.882   4.119
  231    HA   ASN  34           HA       ASN  34  -5.439  -5.561   2.922
  232   1HB   ASN  34          1HB       ASN  34  -7.307  -6.152   4.427
  233   2HB   ASN  34          2HB       ASN  34  -6.101  -5.236   5.269
  234   1HD2  ASN  34          1HD2      ASN  34  -9.924  -3.815   5.285
  235   2HD2  ASN  34          2HD2      ASN  34  -9.436  -5.332   4.375
  236    H    ASN  35           H        ASN  35  -6.439  -6.541   1.431
  237    HA   ASN  35           HA       ASN  35  -8.244  -5.236  -0.550
  238   1HB   ASN  35          1HB       ASN  35  -7.428  -8.215  -0.162
  239   2HB   ASN  35          2HB       ASN  35  -8.415  -7.643  -1.483
  240   1HD2  ASN  35          1HD2      ASN  35  -4.399  -7.182  -1.855
  241   2HD2  ASN  35          2HD2      ASN  35  -5.169  -7.907  -0.355
  242    H    ASN  36           H        ASN  36  -8.875  -8.043   1.683
  243    HA   ASN  36           HA       ASN  36 -11.731  -7.013   2.068
  244   1HB   ASN  36          1HB       ASN  36 -11.685  -8.914   0.326
  245   2HB   ASN  36          2HB       ASN  36 -11.015  -9.981   1.536
  246   1HD2  ASN  36          1HD2      ASN  36 -15.047  -9.142   1.622
  247   2HD2  ASN  36          2HD2      ASN  36 -13.892  -8.237   0.520
  248   1HN   NH2  37          1HN       NH2  37 -11.666  -6.304   4.316
  249   2HN   NH2  37          2HN       NH2  37 -10.978  -7.299   5.618
   
  No H/Q in entry =         249
  Start of MODEL    6
    1   1H    GLU   1          1H        GLU   1  10.280  -5.491  -3.467
    2   2H    GLU   1          2H        GLU   1  11.893  -5.332  -3.252
    3    HA   GLU   1           HA       GLU   1  10.977  -6.747  -1.556
    4   1HB   GLU   1          1HB       GLU   1  11.954  -5.578   0.404
    5   2HB   GLU   1          2HB       GLU   1  12.954  -5.398  -1.001
    6   1HG   GLU   1          1HG       GLU   1  13.126  -3.325   0.057
    7   2HG   GLU   1          2HG       GLU   1  12.062  -2.987  -1.289
    8    HE2  GLU   1           HE2      GLU   1   9.708  -1.605   0.759
    9    H    CYS   2           H        CYS   2   9.457  -7.142  -0.032
   10    HA   CYS   2           HA       CYS   2   6.944  -5.632  -0.185
   11   1HB   CYS   2          1HB       CYS   2   6.096  -7.241   0.516
   12   2HB   CYS   2          2HB       CYS   2   7.042  -8.247   0.077
   13    H    VAL   3           H        VAL   3   6.019  -4.780   1.081
   14    HA   VAL   3           HA       VAL   3   6.896  -3.662   3.847
   15    HB   VAL   3           HB       VAL   3   5.334  -2.249   1.607
   16   1HG1  VAL   3          1HG2      VAL   3   6.287  -1.007   4.294
   17   2HG1  VAL   3          2HG2      VAL   3   5.591  -0.091   2.940
   18   3HG1  VAL   3          3HG2      VAL   3   4.609  -1.279   3.783
   19   1HG2  VAL   3          1HG1      VAL   3   7.765  -2.371   0.972
   20   2HG2  VAL   3          2HG1      VAL   3   7.322  -0.700   1.330
   21   3HG2  VAL   3          3HG1      VAL   3   8.243  -1.651   2.526
   22    HA   PRO   4           HA       PRO   4   2.360  -5.056   4.491
   23   1HB   PRO   4          1HB       PRO   4   2.310  -5.697   7.079
   24   2HB   PRO   4          2HB       PRO   4   3.418  -6.608   6.036
   25   1HG   PRO   4          1HG       PRO   4   4.097  -4.039   7.639
   26   2HG   PRO   4          2HG       PRO   4   4.647  -5.666   7.881
   27   1HD   PRO   4          1HD       PRO   4   5.984  -3.760   6.159
   28   2HD   PRO   4          2HD       PRO   4   6.022  -5.502   5.717
   29    H    GLU   5           H        GLU   5   1.069  -4.359   6.761
   30    HA   GLU   5           HA       GLU   5  -0.248  -2.043   5.765
   31   1HB   GLU   5          1HB       GLU   5  -0.955  -3.991   7.309
   32   2HB   GLU   5          2HB       GLU   5  -0.438  -3.071   8.656
   33   1HG   GLU   5          1HG       GLU   5  -2.398  -2.678   6.373
   34   2HG   GLU   5          2HG       GLU   5  -2.872  -3.026   8.032
   35    HE1  GLU   5           HE2      GLU   5  -2.855   0.146   9.347
   36    H    ASN   6           H        ASN   6  -0.678  -0.249   6.528
   37    HA   ASN   6           HA       ASN   6   0.095   2.088   6.716
   38   1HB   ASN   6          1HB       ASN   6   0.480   2.698   9.183
   39   2HB   ASN   6          2HB       ASN   6  -0.892   1.702   8.909
   40   1HD2  ASN   6          2HD2      ASN   6   0.265  -0.131  11.637
   41   2HD2  ASN   6          1HD2      ASN   6  -1.091   0.322  10.504
   42    H    GLY   7           H        GLY   7   2.289   0.029   6.011
   43   1HA   GLY   7          1HA       GLY   7   4.846   1.625   6.429
   44   2HA   GLY   7          2HA       GLY   7   4.726   0.174   5.565
   45    H    HIS   8           H        HIS   8   5.458   2.768   4.977
   46    HA   HIS   8           HA       HIS   8   3.534   3.983   3.022
   47   1HB   HIS   8          1HB       HIS   8   6.442   4.875   3.617
   48   2HB   HIS   8          2HB       HIS   8   5.325   5.758   2.597
   49    HD2  HIS   8           HD2      HIS   8   2.745   6.357   4.034
   50    HE1  HIS   8           HE1      HIS   8   4.758   6.985   7.612
   51    HE2  HIS   8           HE2      HIS   8   2.504   7.404   6.451
   52    H    CYS   9           H        CYS   9   3.355   3.429   0.831
   53    HA   CYS   9           HA       CYS   9   5.665   1.698  -0.241
   54   1HB   CYS   9          1HB       CYS   9   3.974   0.216  -1.013
   55   2HB   CYS   9          2HB       CYS   9   3.607   0.473   0.662
   56    H    ARG  10           H        ARG  10   4.747   1.243  -2.687
   57    HA   ARG  10           HA       ARG  10   4.319   3.563  -4.363
   58   1HB   ARG  10          1HB       ARG  10   6.586   4.299  -3.450
   59   2HB   ARG  10          2HB       ARG  10   7.290   2.771  -3.925
   60   1HG   ARG  10          1HG       ARG  10   7.972   4.381  -5.535
   61   2HG   ARG  10          2HG       ARG  10   6.833   3.319  -6.346
   62   1HD   ARG  10          1HD       ARG  10   5.002   5.092  -5.984
   63   2HD   ARG  10          2HD       ARG  10   6.196   6.153  -5.251
   64   1HH1  ARG  10          2HH2      ARG  10   8.111   6.908  -5.802
   65   2HH1  ARG  10          1HH2      ARG  10   8.978   7.808  -7.146
   66   1HH2  ARG  10          1HH1      ARG  10   6.915   6.565  -9.610
   67   2HH2  ARG  10          2HH1      ARG  10   8.345   7.624  -9.158
   68    H    ASP  11           H        ASP  11   3.375   2.353  -5.831
   69    HA   ASP  11           HA       ASP  11   4.052  -0.483  -6.484
   70   1HB   ASP  11          1HB       ASP  11   1.702   0.700  -6.449
   71   2HB   ASP  11          2HB       ASP  11   2.146   1.478  -7.963
   72    HD2  ASP  11           HD2      ASP  11   1.224  -1.239  -9.843
   73    H    TRP  12           H        TRP  12   6.273   0.661  -6.912
   74    HA   TRP  12           HA       TRP  12   7.038   0.290  -9.798
   75   1HB   TRP  12          1HB       TRP  12   7.412   3.060  -8.434
   76   2HB   TRP  12          2HB       TRP  12   8.278   2.559  -9.852
   77    HD1  TRP  12           HD1      TRP  12   4.738   3.739  -8.767
   78    HE1  TRP  12           HE1      TRP  12   3.317   4.477 -10.861
   79    HE3  TRP  12           HE3      TRP  12   7.962   1.958 -12.303
   80    HZ2  TRP  12           HZ2      TRP  12   3.700   4.196 -13.683
   81    HZ3  TRP  12           HZ3      TRP  12   7.363   2.192 -14.691
   82    HH2  TRP  12           HH2      TRP  12   5.267   3.292 -15.370
   83    H    TYR  13           H        TYR  13   8.168   1.644  -6.607
   84    HA   TYR  13           HA       TYR  13  10.880   0.227  -6.978
   85   1HB   TYR  13          1HB       TYR  13  10.182   2.846  -5.469
   86   2HB   TYR  13          2HB       TYR  13  11.752   2.091  -5.484
   87    HD1  TYR  13           HD1      TYR  13  13.062   1.895  -7.704
   88    HD2  TYR  13           HD2      TYR  13   9.478   4.254  -7.372
   89    HE1  TYR  13           HE1      TYR  13  13.639   3.081  -9.778
   90    HE2  TYR  13           HE2      TYR  13  10.065   5.427  -9.445
   91    HH   TYR  13           HH       TYR  13  11.525   5.629 -11.101
   92    H    ASP  14           H        ASP  14   9.112   1.577  -4.090
   93    HA   ASP  14           HA       ASP  14   9.908  -0.941  -2.521
   94   1HB   ASP  14          1HB       ASP  14   8.920   1.836  -1.572
   95   2HB   ASP  14          2HB       ASP  14   9.173   0.466  -0.512
   96    HD2  ASP  14           HD2      ASP  14  12.275   2.620  -1.858
   97    H    GLU  15           H        GLU  15   8.394  -2.344  -3.287
   98    HA   GLU  15           HA       GLU  15   5.519  -1.644  -3.610
   99   1HB   GLU  15          1HB       GLU  15   6.981  -3.149  -5.131
  100   2HB   GLU  15          2HB       GLU  15   7.014  -4.357  -3.863
  101   1HG   GLU  15          1HG       GLU  15   5.428  -4.992  -5.589
  102   2HG   GLU  15          2HG       GLU  15   4.548  -4.707  -4.109
  103    HE1  GLU  15           HE2      GLU  15   3.978  -2.433  -7.400
  104    H    CYS  16           H        CYS  16   3.718  -2.398  -2.542
  105    HA   CYS  16           HA       CYS  16   4.020  -3.386   0.227
  106   1HB   CYS  16          1HB       CYS  16   2.205  -1.873  -0.516
  107   2HB   CYS  16          2HB       CYS  16   1.334  -3.158  -1.371
  108    H    CYS  17           H        CYS  17   3.165  -5.160   0.957
  109    HA   CYS  17           HA       CYS  17   4.311  -7.652  -0.103
  110   1HB   CYS  17          1HB       CYS  17   2.170  -7.127   2.110
  111   2HB   CYS  17          2HB       CYS  17   3.056  -8.650   1.950
  112    H    GLU  18           H        GLU  18   3.191  -9.762  -0.058
  113    HA   GLU  18           HA       GLU  18   0.889  -9.877  -2.042
  114   1HB   GLU  18          1HB       GLU  18   3.042 -11.159  -2.555
  115   2HB   GLU  18          2HB       GLU  18   2.814 -12.122  -1.100
  116   1HG   GLU  18          1HG       GLU  18   0.594 -12.974  -2.064
  117   2HG   GLU  18          2HG       GLU  18   0.857 -11.988  -3.499
  118    HE1  GLU  18           HE2      GLU  18   2.880 -15.438  -2.885
  119    H    GLY  19           H        GLY  19  -0.427  -9.233  -0.621
  120   1HA   GLY  19          1HA       GLY  19  -2.338 -10.644   0.679
  121   2HA   GLY  19          2HA       GLY  19  -1.143 -10.514   1.987
  122    H    PHE  20           H        PHE  20  -0.634  -7.730   0.378
  123    HA   PHE  20           HA       PHE  20  -3.112  -6.199   1.236
  124   1HB   PHE  20          1HB       PHE  20  -0.364  -5.001   1.844
  125   2HB   PHE  20          2HB       PHE  20  -1.892  -4.294   2.163
  126    HD1  PHE  20           HD1      PHE  20   0.431  -6.994   3.338
  127    HD2  PHE  20           HD2      PHE  20  -3.092  -4.718   4.247
  128    HE1  PHE  20           HE1      PHE  20   0.475  -7.836   5.643
  129    HE2  PHE  20           HE2      PHE  20  -3.076  -5.612   6.531
  130    HZ   PHE  20           HZ       PHE  20  -1.286  -7.162   7.242
  131    H    TYR  21           H        TYR  21  -3.430  -4.531  -0.089
  132    HA   TYR  21           HA       TYR  21  -1.809  -4.307  -2.706
  133   1HB   TYR  21          1HB       TYR  21  -3.664  -3.454  -3.822
  134   2HB   TYR  21          2HB       TYR  21  -4.311  -4.769  -2.917
  135    HD1  TYR  21           HD1      TYR  21  -4.342  -1.097  -3.404
  136    HD2  TYR  21           HD2      TYR  21  -5.979  -4.297  -1.048
  137    HE1  TYR  21           HE1      TYR  21  -6.164   0.372  -2.667
  138    HE2  TYR  21           HE2      TYR  21  -7.817  -2.830  -0.339
  139    HH   TYR  21           HH       TYR  21  -8.707  -0.798  -0.462
  140    H    CYS  22           H        CYS  22  -0.842  -2.427  -3.233
  141    HA   CYS  22           HA       CYS  22  -0.316  -0.450  -1.114
  142   1HB   CYS  22          1HB       CYS  22   1.399  -1.306  -2.784
  143   2HB   CYS  22          2HB       CYS  22   0.539  -0.535  -4.108
  144    H    SER  23           H        SER  23  -2.152   0.626  -0.688
  145    HA   SER  23           HA       SER  23  -3.909   2.092  -2.622
  146   1HB   SER  23          1HB       SER  23  -4.680   1.204  -0.408
  147   2HB   SER  23          2HB       SER  23  -3.548   2.340   0.437
  148    HG   SER  23           HG       SER  23  -5.686   3.106   0.299
  149    H    CYS  24           H        CYS  24  -2.888   3.639  -3.796
  150    HA   CYS  24           HA       CYS  24  -0.910   5.558  -2.423
  151   1HB   CYS  24          2HB       CYS  24  -1.023   4.787  -5.401
  152   2HB   CYS  24          1HB       CYS  24   0.139   5.868  -4.584
  153    H    ARG  25           H        ARG  25  -2.942   6.590  -1.765
  154    HA   ARG  25           HA       ARG  25  -4.963   7.650  -3.531
  155   1HB   ARG  25          1HB       ARG  25  -4.183   8.734  -0.733
  156   2HB   ARG  25          2HB       ARG  25  -5.704   9.026  -1.547
  157   1HG   ARG  25          1HG       ARG  25  -4.729   6.330  -0.425
  158   2HG   ARG  25          2HG       ARG  25  -5.950   7.390   0.229
  159   1HD   ARG  25          1HD       ARG  25  -7.211   5.674  -0.731
  160   2HD   ARG  25          2HD       ARG  25  -7.376   6.982  -1.906
  161   1HH1  ARG  25          2HH2      ARG  25  -8.594   4.804  -2.257
  162   2HH1  ARG  25          1HH2      ARG  25  -8.580   3.481  -3.528
  163   1HH2  ARG  25          1HH1      ARG  25  -5.232   3.888  -4.232
  164   2HH2  ARG  25          2HH1      ARG  25  -6.800   2.998  -4.572
  165    H    GLN  26           H        GLN  26  -2.278   9.524  -2.106
  166    HA   GLN  26           HA       GLN  26  -2.568  11.558  -4.421
  167   1HB   GLN  26          1HB       GLN  26  -1.551  12.127  -1.568
  168   2HB   GLN  26          2HB       GLN  26  -1.336  13.203  -2.941
  169   1HG   GLN  26          1HG       GLN  26  -3.847  13.382  -3.233
  170   2HG   GLN  26          2HG       GLN  26  -4.082  12.328  -1.849
  171   1HE2  GLN  26          2HE2      GLN  26  -3.222  16.265  -1.140
  172   2HE2  GLN  26          1HE2      GLN  26  -3.282  15.561  -2.833
  173    HA   PRO  27           HA       PRO  27   1.273   8.843  -4.612
  174   1HB   PRO  27          1HB       PRO  27   1.606   8.688  -7.391
  175   2HB   PRO  27          2HB       PRO  27   0.435   7.732  -6.471
  176   1HG   PRO  27          1HG       PRO  27  -0.079  10.336  -7.989
  177   2HG   PRO  27          2HG       PRO  27  -1.026   8.830  -8.050
  178   1HD   PRO  27          1HD       PRO  27  -1.797  10.950  -6.472
  179   2HD   PRO  27          2HD       PRO  27  -2.048   9.269  -5.910
  180    HA   PRO  28           HA       PRO  28   3.491   8.148  -5.219
  181   1HB   PRO  28          1HB       PRO  28   6.060   8.418  -4.260
  182   2HB   PRO  28          2HB       PRO  28   5.648   8.755  -5.945
  183   1HG   PRO  28          1HG       PRO  28   5.924  10.788  -3.662
  184   2HG   PRO  28          2HG       PRO  28   6.727  10.826  -5.254
  185   1HD   PRO  28          1HD       PRO  28   4.380  12.222  -4.762
  186   2HD   PRO  28          2HD       PRO  28   4.708  11.504  -6.366
  187    H    LYS  29           H        LYS  29   2.564  10.279  -2.794
  188    HA   LYS  29           HA       LYS  29   3.416   8.746  -0.389
  189   1HB   LYS  29          1HB       LYS  29   1.035  10.709  -0.706
  190   2HB   LYS  29          2HB       LYS  29   1.605  10.035   0.805
  191   1HG   LYS  29          1HG       LYS  29   3.835  11.152   0.526
  192   2HG   LYS  29          2HG       LYS  29   3.311  11.839  -1.014
  193   1HD   LYS  29          1HD       LYS  29   1.430  13.061   0.159
  194   2HD   LYS  29          2HD       LYS  29   1.960  12.388   1.706
  195   1HE   LYS  29          1HE       LYS  29   4.210  13.549   1.440
  196   2HE   LYS  29          2HE       LYS  29   3.679  14.221  -0.109
  197   1HZ   LYS  29          1HZ       LYS  29   2.422  14.735   2.530
  198   2HZ   LYS  29          2HZ       LYS  29   3.387  15.768   1.708
  199    H    CYS  30           H        CYS  30   2.643   6.939   0.268
  200    HA   CYS  30           HA       CYS  30  -0.113   5.814  -0.432
  201   1HB   CYS  30          1HB       CYS  30   2.000   5.241  -2.108
  202   2HB   CYS  30          2HB       CYS  30   2.275   4.055  -0.909
  203    H    ILE  31           H        ILE  31  -0.169   3.678   0.375
  204    HA   ILE  31           HA       ILE  31   1.551   2.778   2.597
  205    HB   ILE  31           HB       ILE  31  -0.435   2.128   4.332
  206   1HG1  ILE  31          1HG1      ILE  31  -1.781   4.637   3.156
  207   2HG1  ILE  31          2HG1      ILE  31  -2.150   2.960   2.671
  208   1HG2  ILE  31          2HG2      ILE  31   1.438   3.526   4.904
  209   2HG2  ILE  31          3HG2      ILE  31   0.607   4.998   4.268
  210   3HG2  ILE  31          1HG2      ILE  31  -0.051   4.061   5.651
  211   1HD1  ILE  31          1HD1      ILE  31  -2.693   2.270   4.963
  212   2HD1  ILE  31          2HD1      ILE  31  -2.359   3.910   5.575
  213   3HD1  ILE  31          3HD1      ILE  31  -3.720   3.632   4.443
  214    H    CYS  32           H        CYS  32   0.689   0.735   3.510
  215    HA   CYS  32           HA       CYS  32  -0.377  -1.123   1.466
  216   1HB   CYS  32          1HB       CYS  32   0.883  -1.266   4.186
  217   2HB   CYS  32          2HB       CYS  32   0.143  -2.642   3.545
  218    H    ARG  33           H        ARG  33  -1.997  -1.897   1.736
  219    HA   ARG  33           HA       ARG  33  -4.213  -1.339   3.825
  220   1HB   ARG  33          1HB       ARG  33  -4.080   0.637   2.237
  221   2HB   ARG  33          2HB       ARG  33  -4.220  -0.495   0.861
  222   1HG   ARG  33          1HG       ARG  33  -6.241   0.791   1.295
  223   2HG   ARG  33          2HG       ARG  33  -6.468  -0.943   1.282
  224   1HD   ARG  33          1HD       ARG  33  -7.879   0.086   3.036
  225   2HD   ARG  33          2HD       ARG  33  -6.732  -1.038   3.734
  226   1HH1  ARG  33          2HH2      ARG  33  -6.561  -0.996   5.621
  227   2HH1  ARG  33          1HH2      ARG  33  -6.045  -0.110   7.143
  228   1HH2  ARG  33          1HH1      ARG  33  -5.613   2.893   5.524
  229   2HH2  ARG  33          2HH1      ARG  33  -5.547   1.938   7.089
  230    H    ASN  34           H        ASN  34  -5.449  -3.049   4.150
  231    HA   ASN  34           HA       ASN  34  -4.846  -5.564   2.794
  232   1HB   ASN  34          1HB       ASN  34  -5.537  -5.177   5.276
  233   2HB   ASN  34          2HB       ASN  34  -7.189  -4.961   4.745
  234   1HD2  ASN  34          1HD2      ASN  34  -5.595  -8.776   4.897
  235   2HD2  ASN  34          2HD2      ASN  34  -4.527  -7.287   4.999
  236    H    ASN  35           H        ASN  35  -5.726  -6.599   1.234
  237    HA   ASN  35           HA       ASN  35  -8.231  -5.703  -0.234
  238   1HB   ASN  35          1HB       ASN  35  -7.710  -7.572  -1.813
  239   2HB   ASN  35          2HB       ASN  35  -6.464  -6.380  -1.704
  240   1HD2  ASN  35          1HD2      ASN  35  -5.420 -10.239  -0.960
  241   2HD2  ASN  35          2HD2      ASN  35  -7.149  -9.740  -1.316
  242    H    ASN  36           H        ASN  36 -10.117  -6.411   0.385
  243    HA   ASN  36           HA       ASN  36 -10.538  -9.170   1.627
  244   1HB   ASN  36          1HB       ASN  36 -10.125  -7.397   3.479
  245   2HB   ASN  36          2HB       ASN  36 -11.549  -6.545   2.938
  246   1HD2  ASN  36          1HD2      ASN  36 -11.988  -9.941   5.229
  247   2HD2  ASN  36          2HD2      ASN  36 -10.365  -9.449   4.530
  248   1HN   NH2  37          1HN       NH2  37 -11.963 -10.147   0.022
  249   2HN   NH2  37          2HN       NH2  37 -13.406  -9.323  -0.608
   
  No H/Q in entry =         249
  Start of MODEL    7
    1   1H    GLU   1          1H        GLU   1  11.495 -10.635   2.323
    2   2H    GLU   1          2H        GLU   1  11.971  -9.278   1.546
    3    HA   GLU   1           HA       GLU   1   9.487  -9.565   3.150
    4   1HB   GLU   1          1HB       GLU   1  12.149  -8.069   3.703
    5   2HB   GLU   1          2HB       GLU   1  10.696  -7.830   4.646
    6   1HG   GLU   1          1HG       GLU   1  12.215 -10.507   4.432
    7   2HG   GLU   1          2HG       GLU   1  12.367  -9.342   5.731
    8    HE2  GLU   1           HE2      GLU   1   9.295 -11.919   5.609
    9    H    CYS   2           H        CYS   2   7.969  -8.295   2.308
   10    HA   CYS   2           HA       CYS   2   8.544  -6.113   0.371
   11   1HB   CYS   2          1HB       CYS   2   5.731  -6.514   1.576
   12   2HB   CYS   2          2HB       CYS   2   6.186  -6.320  -0.089
   13    H    VAL   3           H        VAL   3   6.560  -4.267   0.854
   14    HA   VAL   3           HA       VAL   3   7.179  -2.894   3.503
   15    HB   VAL   3           HB       VAL   3   5.203  -2.082   1.311
   16   1HG1  VAL   3          2HG2      VAL   3   6.323  -0.448   3.742
   17   2HG1  VAL   3          3HG2      VAL   3   5.297   0.236   2.466
   18   3HG1  VAL   3          1HG2      VAL   3   4.663  -1.016   3.531
   19   1HG2  VAL   3          2HG1      VAL   3   7.563  -1.901   0.378
   20   2HG2  VAL   3          3HG1      VAL   3   6.862  -0.292   0.598
   21   3HG2  VAL   3          1HG1      VAL   3   8.061  -0.909   1.764
   22    HA   PRO   4           HA       PRO   4   3.000  -5.096   4.467
   23   1HB   PRO   4          1HB       PRO   4   3.134  -5.477   7.113
   24   2HB   PRO   4          2HB       PRO   4   4.364  -6.269   6.111
   25   1HG   PRO   4          1HG       PRO   4   4.593  -3.475   7.440
   26   2HG   PRO   4          2HG       PRO   4   5.451  -4.939   7.803
   27   1HD   PRO   4          1HD       PRO   4   6.355  -2.999   5.859
   28   2HD   PRO   4          2HD       PRO   4   6.703  -4.740   5.574
   29    H    GLU   5           H        GLU   5   1.676  -4.430   6.722
   30    HA   GLU   5           HA       GLU   5  -0.012  -2.254   5.610
   31   1HB   GLU   5          1HB       GLU   5  -0.909  -4.176   6.305
   32   2HB   GLU   5          2HB       GLU   5  -0.060  -4.166   7.851
   33   1HG   GLU   5          1HG       GLU   5  -1.186  -2.788   8.822
   34   2HG   GLU   5          2HG       GLU   5  -2.074  -1.989   7.491
   35    HE1  GLU   5           HE2      GLU   5  -3.500  -5.312   9.318
   36    H    ASN   6           H        ASN   6  -0.392  -0.552   6.230
   37    HA   ASN   6           HA       ASN   6  -0.028   1.758   6.737
   38   1HB   ASN   6          1HB       ASN   6   0.273   2.434   9.049
   39   2HB   ASN   6          2HB       ASN   6  -0.770   1.058   9.072
   40   1HD2  ASN   6          1HD2      ASN   6   1.255  -0.448  11.610
   41   2HD2  ASN   6          2HD2      ASN   6  -0.355  -0.280  10.750
   42    H    GLY   7           H        GLY   7   2.475  -0.289   6.211
   43   1HA   GLY   7          1HA       GLY   7   4.866   1.529   6.406
   44   2HA   GLY   7          2HA       GLY   7   4.793   0.094   5.508
   45    H    HIS   8           H        HIS   8   5.440   2.693   4.933
   46    HA   HIS   8           HA       HIS   8   3.389   3.823   3.018
   47   1HB   HIS   8          1HB       HIS   8   6.152   4.994   3.803
   48   2HB   HIS   8          2HB       HIS   8   5.002   5.798   2.756
   49    HD2  HIS   8           HD2      HIS   8   2.519   6.568   3.912
   50    HE1  HIS   8           HE1      HIS   8   3.821   6.337   7.848
   51    HE2  HIS   8           HE2      HIS   8   1.888   7.209   6.397
   52    H    CYS   9           H        CYS   9   3.374   3.488   0.777
   53    HA   CYS   9           HA       CYS   9   5.857   2.053  -0.335
   54   1HB   CYS   9          1HB       CYS   9   4.269   0.642  -1.506
   55   2HB   CYS   9          2HB       CYS   9   4.006   0.488   0.211
   56    H    ARG  10           H        ARG  10   5.483   1.918  -2.788
   57    HA   ARG  10           HA       ARG  10   6.270   3.133  -4.707
   58   1HB   ARG  10          1HB       ARG  10   3.866   2.921  -5.080
   59   2HB   ARG  10          2HB       ARG  10   3.472   4.335  -4.108
   60   1HG   ARG  10          1HG       ARG  10   3.219   4.598  -6.593
   61   2HG   ARG  10          2HG       ARG  10   4.189   5.844  -5.835
   62   1HD   ARG  10          1HD       ARG  10   6.318   4.673  -6.583
   63   2HD   ARG  10          2HD       ARG  10   5.362   3.395  -7.300
   64   1HH1  ARG  10          2HH2      ARG  10   6.495   6.739  -6.696
   65   2HH1  ARG  10          1HH2      ARG  10   6.698   8.120  -7.886
   66   1HH2  ARG  10          1HH1      ARG  10   5.051   6.475 -10.422
   67   2HH2  ARG  10          2HH1      ARG  10   5.933   7.979  -9.852
   68    H    ASP  11           H        ASP  11   7.607   3.905  -2.680
   69    HA   ASP  11           HA       ASP  11   8.207   6.859  -2.866
   70   1HB   ASP  11          1HB       ASP  11   9.525   4.513  -1.339
   71   2HB   ASP  11          2HB       ASP  11  10.212   6.108  -1.427
   72    HD2  ASP  11           HD2      ASP  11   8.067   7.579   0.837
   73    H    TRP  12           H        TRP  12   8.291   6.445  -5.164
   74    HA   TRP  12           HA       TRP  12   9.654   6.641  -7.228
   75   1HB   TRP  12          1HB       TRP  12  11.798   4.798  -5.897
   76   2HB   TRP  12          2HB       TRP  12  11.796   5.350  -7.536
   77    HD1  TRP  12           HD1      TRP  12  12.594   6.658  -3.974
   78    HE1  TRP  12           HE1      TRP  12  13.769   9.013  -4.060
   79    HE3  TRP  12           HE3      TRP  12  11.824   7.508  -8.954
   80    HZ2  TRP  12           HZ2      TRP  12  14.205  10.910  -6.157
   81    HZ3  TRP  12           HZ3      TRP  12  12.625   9.630  -9.940
   82    HH2  TRP  12           HH2      TRP  12  13.795  11.303  -8.564
   83    H    TYR  13           H        TYR  13   9.834   3.394  -5.473
   84    HA   TYR  13           HA       TYR  13   7.486   2.504  -7.074
   85   1HB   TYR  13          1HB       TYR  13   9.705   1.851  -8.440
   86   2HB   TYR  13          2HB       TYR  13   9.957   0.625  -7.243
   87    HD1  TYR  13           HD1      TYR  13   7.482   1.901  -9.791
   88    HD2  TYR  13           HD2      TYR  13   8.356  -1.327  -7.093
   89    HE1  TYR  13           HE1      TYR  13   5.809   0.498 -10.919
   90    HE2  TYR  13           HE2      TYR  13   6.678  -2.722  -8.224
   91    HH   TYR  13           HH       TYR  13   4.786  -1.471 -10.972
   92    H    ASP  14           H        ASP  14  10.048   1.236  -4.916
   93    HA   ASP  14           HA       ASP  14   9.710  -0.732  -3.327
   94   1HB   ASP  14          1HB       ASP  14   8.968   2.042  -2.115
   95   2HB   ASP  14          2HB       ASP  14   9.225   0.626  -1.124
   96    HD2  ASP  14           HD2      ASP  14  12.348   2.596  -2.642
   97    H    GLU  15           H        GLU  15   8.063  -2.039  -4.012
   98    HA   GLU  15           HA       GLU  15   5.198  -1.348  -3.678
   99   1HB   GLU  15          1HB       GLU  15   4.798  -3.503  -4.776
  100   2HB   GLU  15          2HB       GLU  15   6.070  -2.648  -5.606
  101   1HG   GLU  15          1HG       GLU  15   7.801  -4.187  -4.490
  102   2HG   GLU  15          2HG       GLU  15   6.486  -5.052  -3.702
  103    HE1  GLU  15           HE2      GLU  15   7.304  -5.551  -7.627
  104    H    CYS  16           H        CYS  16   3.612  -2.302  -2.542
  105    HA   CYS  16           HA       CYS  16   4.186  -3.447   0.114
  106   1HB   CYS  16          1HB       CYS  16   2.216  -1.989  -0.422
  107   2HB   CYS  16          2HB       CYS  16   1.383  -3.247  -1.321
  108    H    CYS  17           H        CYS  17   3.273  -5.343   0.839
  109    HA   CYS  17           HA       CYS  17   4.079  -7.802  -0.649
  110   1HB   CYS  17          1HB       CYS  17   2.595  -7.352   1.974
  111   2HB   CYS  17          2HB       CYS  17   2.421  -8.940   1.247
  112    H    GLU  18           H        GLU  18   2.696  -9.596  -1.036
  113    HA   GLU  18           HA       GLU  18   0.087  -9.023  -2.491
  114   1HB   GLU  18          1HB       GLU  18   1.859 -10.347  -3.769
  115   2HB   GLU  18          2HB       GLU  18   1.816 -11.591  -2.536
  116   1HG   GLU  18          1HG       GLU  18   0.455 -12.368  -4.360
  117   2HG   GLU  18          2HG       GLU  18  -0.654 -11.991  -3.055
  118    HE1  GLU  18           HE2      GLU  18  -0.664  -9.917  -6.537
  119    H    GLY  19           H        GLY  19  -0.927  -8.735  -0.861
  120   1HA   GLY  19          1HA       GLY  19  -2.550 -10.391   0.613
  121   2HA   GLY  19          2HA       GLY  19  -1.146 -10.215   1.701
  122    H    PHE  20           H        PHE  20  -0.750  -7.401   0.574
  123    HA   PHE  20           HA       PHE  20  -3.240  -5.931   1.463
  124   1HB   PHE  20          1HB       PHE  20  -0.729  -4.492   2.242
  125   2HB   PHE  20          2HB       PHE  20  -2.316  -4.319   2.829
  126    HD1  PHE  20           HD1      PHE  20  -3.236  -5.829   4.685
  127    HD2  PHE  20           HD2      PHE  20   0.904  -5.870   3.499
  128    HE1  PHE  20           HE1      PHE  20  -2.649  -6.975   6.757
  129    HE2  PHE  20           HE2      PHE  20   1.472  -7.000   5.598
  130    HZ   PHE  20           HZ       PHE  20  -0.294  -7.499   7.258
  131    H    TYR  21           H        TYR  21  -3.591  -4.587  -0.103
  132    HA   TYR  21           HA       TYR  21  -1.738  -4.341  -2.520
  133   1HB   TYR  21          1HB       TYR  21  -3.593  -3.397  -3.743
  134   2HB   TYR  21          2HB       TYR  21  -4.110  -4.849  -2.970
  135    HD1  TYR  21           HD1      TYR  21  -4.455  -1.111  -2.929
  136    HD2  TYR  21           HD2      TYR  21  -6.039  -4.819  -1.436
  137    HE1  TYR  21           HE1      TYR  21  -6.484   0.049  -2.180
  138    HE2  TYR  21           HE2      TYR  21  -8.066  -3.651  -0.697
  139    HH   TYR  21           HH       TYR  21  -8.457  -0.142  -1.181
  140    H    CYS  22           H        CYS  22  -0.700  -2.508  -3.126
  141    HA   CYS  22           HA       CYS  22  -0.259  -0.415  -1.141
  142   1HB   CYS  22          1HB       CYS  22   1.510  -1.308  -2.683
  143   2HB   CYS  22          2HB       CYS  22   0.673  -0.666  -4.091
  144    H    SER  23           H        SER  23  -2.142   0.565  -0.835
  145    HA   SER  23           HA       SER  23  -3.805   2.064  -2.846
  146   1HB   SER  23          1HB       SER  23  -4.691   1.168  -0.663
  147   2HB   SER  23          2HB       SER  23  -3.643   2.347   0.223
  148    HG   SER  23           HG       SER  23  -4.770   3.994  -0.890
  149    H    CYS  24           H        CYS  24  -2.850   3.721  -3.909
  150    HA   CYS  24           HA       CYS  24  -0.856   5.541  -2.451
  151   1HB   CYS  24          1HB       CYS  24  -0.962   4.863  -5.446
  152   2HB   CYS  24          2HB       CYS  24   0.193   5.933  -4.597
  153    H    ARG  25           H        ARG  25  -2.600   6.632  -1.727
  154    HA   ARG  25           HA       ARG  25  -4.814   7.808  -3.055
  155   1HB   ARG  25          1HB       ARG  25  -3.376   9.140  -0.651
  156   2HB   ARG  25          2HB       ARG  25  -5.049   9.354  -1.109
  157   1HG   ARG  25          1HG       ARG  25  -3.750   6.867   0.111
  158   2HG   ARG  25          2HG       ARG  25  -4.903   7.940   0.866
  159   1HD   ARG  25          1HD       ARG  25  -5.500   6.012  -1.476
  160   2HD   ARG  25          2HD       ARG  25  -5.864   5.722   0.224
  161   1HH1  ARG  25          2HH2      ARG  25  -7.446   4.732  -1.232
  162   2HH1  ARG  25          1HH2      ARG  25  -9.237   4.922  -1.582
  163   1HH2  ARG  25          1HH1      ARG  25  -9.234   8.306  -0.935
  164   2HH2  ARG  25          2HH1      ARG  25 -10.179   6.811  -1.425
  165    H    GLN  26           H        GLN  26  -1.803   9.604  -2.368
  166    HA   GLN  26           HA       GLN  26  -2.245  11.248  -4.924
  167   1HB   GLN  26          1HB       GLN  26  -1.388  12.470  -2.222
  168   2HB   GLN  26          2HB       GLN  26  -1.194  13.262  -3.779
  169   1HG   GLN  26          1HG       GLN  26  -3.675  13.230  -4.163
  170   2HG   GLN  26          2HG       GLN  26  -3.931  12.410  -2.632
  171   1HE2  GLN  26          2HE2      GLN  26  -3.581  15.454  -0.712
  172   2HE2  GLN  26          1HE2      GLN  26  -3.720  13.625  -0.691
  173    HA   PRO  27           HA       PRO  27   1.733   8.735  -4.662
  174   1HB   PRO  27          1HB       PRO  27   1.743   9.402  -7.671
  175   2HB   PRO  27          2HB       PRO  27   2.136   7.861  -6.878
  176   1HG   PRO  27          1HG       PRO  27  -0.304   8.188  -8.030
  177   2HG   PRO  27          2HG       PRO  27  -0.203   7.392  -6.444
  178   1HD   PRO  27          1HD       PRO  27  -1.017  10.281  -7.045
  179   2HD   PRO  27          2HD       PRO  27  -1.727   9.122  -5.886
  180    HA   PRO  28           HA       PRO  28   4.070   8.206  -4.843
  181   1HB   PRO  28          1HB       PRO  28   6.392   8.688  -3.423
  182   2HB   PRO  28          2HB       PRO  28   6.283   8.958  -5.165
  183   1HG   PRO  28          1HG       PRO  28   5.976  11.047  -2.938
  184   2HG   PRO  28          2HG       PRO  28   7.060  11.118  -4.353
  185   1HD   PRO  28          1HD       PRO  28   4.574  12.342  -4.355
  186   2HD   PRO  28          2HD       PRO  28   5.242  11.614  -5.845
  187    H    LYS  29           H        LYS  29   2.564  10.282  -2.694
  188    HA   LYS  29           HA       LYS  29   3.104   8.913  -0.116
  189   1HB   LYS  29          1HB       LYS  29   0.645  10.622  -0.911
  190   2HB   LYS  29          2HB       LYS  29   1.052  10.102   0.710
  191   1HG   LYS  29          1HG       LYS  29   3.169  11.443   0.672
  192   2HG   LYS  29          2HG       LYS  29   2.830  11.961  -0.982
  193   1HD   LYS  29          1HD       LYS  29   0.668  13.035  -0.208
  194   2HD   LYS  29          2HD       LYS  29   1.030  12.552   1.454
  195   1HE   LYS  29          1HE       LYS  29   3.157  13.948   1.396
  196   2HE   LYS  29          2HE       LYS  29   2.801  14.423  -0.272
  197   1HZ   LYS  29          1HZ       LYS  29   0.724  15.409   0.524
  198   2HZ   LYS  29          2HZ       LYS  29   1.054  14.974   2.065
  199    H    CYS  30           H        CYS  30   2.403   7.026   0.454
  200    HA   CYS  30           HA       CYS  30  -0.204   5.757  -0.433
  201   1HB   CYS  30          1HB       CYS  30   1.950   5.317  -2.087
  202   2HB   CYS  30          2HB       CYS  30   2.267   4.107  -0.903
  203    H    ILE  31           H        ILE  31  -0.214   3.621   0.334
  204    HA   ILE  31           HA       ILE  31   1.538   2.665   2.500
  205    HB   ILE  31           HB       ILE  31  -0.400   1.968   4.269
  206   1HG1  ILE  31          1HG1      ILE  31  -1.798   4.493   3.199
  207   2HG1  ILE  31          2HG1      ILE  31  -2.174   2.832   2.674
  208   1HG2  ILE  31          2HG2      ILE  31   1.495   3.396   4.780
  209   2HG2  ILE  31          3HG2      ILE  31   0.570   4.857   4.262
  210   3HG2  ILE  31          1HG2      ILE  31   0.031   3.826   5.633
  211   1HD1  ILE  31          2HD1      ILE  31  -2.636   2.069   4.973
  212   2HD1  ILE  31          3HD1      ILE  31  -2.291   3.691   5.618
  213   3HD1  ILE  31          1HD1      ILE  31  -3.691   3.434   4.531
  214    H    CYS  32           H        CYS  32   0.661   0.594   3.412
  215    HA   CYS  32           HA       CYS  32  -0.408  -1.234   1.342
  216   1HB   CYS  32          1HB       CYS  32   0.826  -1.373   4.052
  217   2HB   CYS  32          2HB       CYS  32   0.109  -2.766   3.431
  218    H    ARG  33           H        ARG  33  -2.082  -1.897   1.573
  219    HA   ARG  33           HA       ARG  33  -4.281  -1.202   3.665
  220   1HB   ARG  33          1HB       ARG  33  -4.144   0.643   1.966
  221   2HB   ARG  33          2HB       ARG  33  -4.229  -0.559   0.653
  222   1HG   ARG  33          1HG       ARG  33  -6.270   0.608   0.815
  223   2HG   ARG  33          2HG       ARG  33  -6.504  -1.097   1.159
  224   1HD   ARG  33          1HD       ARG  33  -6.628  -0.525   3.684
  225   2HD   ARG  33          2HD       ARG  33  -6.403   1.170   3.273
  226   1HH1  ARG  33          2HH2      ARG  33  -7.935  -2.073   3.199
  227   2HH1  ARG  33          1HH2      ARG  33  -9.712  -2.500   3.043
  228   1HH2  ARG  33          1HH1      ARG  33 -10.651   0.725   2.286
  229   2HH2  ARG  33          2HH1      ARG  33 -11.144  -1.021   2.561
  230    H    ASN  34           H        ASN  34  -5.285  -2.960   4.237
  231    HA   ASN  34           HA       ASN  34  -4.817  -5.561   3.206
  232   1HB   ASN  34          1HB       ASN  34  -5.726  -4.803   5.537
  233   2HB   ASN  34          2HB       ASN  34  -7.308  -4.611   4.820
  234   1HD2  ASN  34          1HD2      ASN  34  -5.942  -8.412   5.716
  235   2HD2  ASN  34          2HD2      ASN  34  -4.787  -6.990   5.621
  236    H    ASN  35           H        ASN  35  -5.754  -7.022   1.996
  237    HA   ASN  35           HA       ASN  35  -7.477  -6.210  -0.292
  238   1HB   ASN  35          1HB       ASN  35  -6.469  -9.000   0.623
  239   2HB   ASN  35          2HB       ASN  35  -7.346  -8.702  -0.865
  240   1HD2  ASN  35          1HD2      ASN  35  -3.920  -8.852  -2.062
  241   2HD2  ASN  35          2HD2      ASN  35  -5.342  -9.890  -1.544
  242    H    ASN  36           H        ASN  36  -8.049  -8.745   2.256
  243    HA   ASN  36           HA       ASN  36 -10.995  -8.011   2.367
  244   1HB   ASN  36          1HB       ASN  36 -11.763 -10.310   1.874
  245   2HB   ASN  36          2HB       ASN  36 -10.981  -9.593   0.504
  246   1HD2  ASN  36          1HD2      ASN  36  -9.606 -13.192   1.744
  247   2HD2  ASN  36          2HD2      ASN  36 -11.044 -12.343   2.506
  248   1HN   NH2  37          1HN       NH2  37  -8.448 -10.626   3.524
  249   2HN   NH2  37          2HN       NH2  37  -8.957 -10.541   5.224
   
  No H/Q in entry =         249
  Start of MODEL    8
    1   1H    GLU   1          1H        GLU   1  11.031 -10.548   4.119
    2   2H    GLU   1          2H        GLU   1  11.818  -9.304   3.407
    3    HA   GLU   1           HA       GLU   1   8.923  -9.376   4.054
    4   1HB   GLU   1          1HB       GLU   1  10.473  -9.207   6.045
    5   2HB   GLU   1          2HB       GLU   1  11.318  -7.855   5.318
    6   1HG   GLU   1          1HG       GLU   1   9.831  -7.079   7.089
    7   2HG   GLU   1          2HG       GLU   1   9.327  -6.393   5.563
    8    HE2  GLU   1           HE2      GLU   1   6.151  -7.672   5.689
    9    H    CYS   2           H        CYS   2   7.772  -8.082   2.831
   10    HA   CYS   2           HA       CYS   2   8.907  -6.120   0.890
   11   1HB   CYS   2          1HB       CYS   2   5.909  -6.295   1.592
   12   2HB   CYS   2          2HB       CYS   2   6.604  -6.222   0.003
   13    H    VAL   3           H        VAL   3   6.690  -4.192   1.114
   14    HA   VAL   3           HA       VAL   3   7.248  -2.715   3.726
   15    HB   VAL   3           HB       VAL   3   5.332  -1.965   1.462
   16   1HG1  VAL   3          1HG2      VAL   3   6.371  -0.282   3.902
   17   2HG1  VAL   3          2HG2      VAL   3   5.360   0.361   2.595
   18   3HG1  VAL   3          3HG2      VAL   3   4.726  -0.880   3.670
   19   1HG2  VAL   3          2HG1      VAL   3   7.719  -1.788   0.604
   20   2HG2  VAL   3          3HG1      VAL   3   6.998  -0.181   0.769
   21   3HG2  VAL   3          1HG1      VAL   3   8.165  -0.763   1.985
   22    HA   PRO   4           HA       PRO   4   3.075  -4.988   4.580
   23   1HB   PRO   4          1HB       PRO   4   3.127  -5.334   7.237
   24   2HB   PRO   4          2HB       PRO   4   4.400  -6.122   6.284
   25   1HG   PRO   4          1HG       PRO   4   4.549  -3.309   7.582
   26   2HG   PRO   4          2HG       PRO   4   5.409  -4.758   7.994
   27   1HD   PRO   4          1HD       PRO   4   6.361  -2.836   6.056
   28   2HD   PRO   4          2HD       PRO   4   6.731  -4.576   5.800
   29    H    GLU   5           H        GLU   5   1.658  -4.308   6.790
   30    HA   GLU   5           HA       GLU   5   0.003  -2.163   5.566
   31   1HB   GLU   5          1HB       GLU   5  -0.892  -4.088   6.208
   32   2HB   GLU   5          2HB       GLU   5  -0.166  -4.035   7.823
   33   1HG   GLU   5          1HG       GLU   5  -1.416  -2.700   8.666
   34   2HG   GLU   5          2HG       GLU   5  -2.129  -1.858   7.255
   35    HE1  GLU   5           HE2      GLU   5  -3.758  -5.282   8.740
   36    H    ASN   6           H        ASN   6  -0.458  -0.420   6.187
   37    HA   ASN   6           HA       ASN   6  -0.133   1.812   6.600
   38   1HB   ASN   6          1HB       ASN   6   0.856   1.049   9.447
   39   2HB   ASN   6          2HB       ASN   6   0.060   2.466   8.781
   40   1HD2  ASN   6          1HD2      ASN   6  -2.407  -0.154  10.476
   41   2HD2  ASN   6          2HD2      ASN   6  -0.578  -0.230  10.606
   42    H    GLY   7           H        GLY   7   2.433  -0.143   6.186
   43   1HA   GLY   7          1HA       GLY   7   4.769   1.749   6.496
   44   2HA   GLY   7          2HA       GLY   7   4.787   0.291   5.634
   45    H    HIS   8           H        HIS   8   5.421   2.874   4.993
   46    HA   HIS   8           HA       HIS   8   3.434   3.970   3.016
   47   1HB   HIS   8          1HB       HIS   8   6.274   5.025   3.679
   48   2HB   HIS   8          2HB       HIS   8   5.162   5.823   2.586
   49    HD2  HIS   8           HD2      HIS   8   2.627   6.623   3.752
   50    HE1  HIS   8           HE1      HIS   8   4.187   6.985   7.583
   51    HE2  HIS   8           HE2      HIS   8   2.142   7.608   6.156
   52    H    CYS   9           H        CYS   9   3.332   3.418   0.815
   53    HA   CYS   9           HA       CYS   9   5.716   1.776  -0.213
   54   1HB   CYS   9          1HB       CYS   9   4.077   0.290  -1.110
   55   2HB   CYS   9          2HB       CYS   9   3.673   0.466   0.573
   56    H    ARG  10           H        ARG  10   4.756   1.370  -2.720
   57    HA   ARG  10           HA       ARG  10   4.382   3.751  -4.318
   58   1HB   ARG  10          1HB       ARG  10   6.675   4.400  -3.421
   59   2HB   ARG  10          2HB       ARG  10   7.334   2.872  -3.949
   60   1HG   ARG  10          1HG       ARG  10   8.028   4.524  -5.513
   61   2HG   ARG  10          2HG       ARG  10   6.872   3.509  -6.363
   62   1HD   ARG  10          1HD       ARG  10   5.066   5.320  -5.931
   63   2HD   ARG  10          2HD       ARG  10   6.296   6.287  -5.135
   64   1HH1  ARG  10          2HH2      ARG  10   4.458   4.834  -7.736
   65   2HH1  ARG  10          1HH2      ARG  10   4.502   5.210  -9.531
   66   1HH2  ARG  10          1HH1      ARG  10   7.416   7.024  -9.311
   67   2HH2  ARG  10          2HH1      ARG  10   6.062   6.364 -10.359
   68    H    ASP  11           H        ASP  11   3.419   2.632  -5.819
   69    HA   ASP  11           HA       ASP  11   4.017  -0.187  -6.646
   70   1HB   ASP  11          1HB       ASP  11   1.586   1.083  -6.725
   71   2HB   ASP  11          2HB       ASP  11   2.151   1.584  -8.327
   72    HD1  ASP  11           HD2      ASP  11   1.983  -1.530  -9.780
   73    H    TRP  12           H        TRP  12   5.880   0.114  -7.219
   74    HA   TRP  12           HA       TRP  12   6.817  -0.158  -9.826
   75   1HB   TRP  12          1HB       TRP  12   6.916   2.877  -9.238
   76   2HB   TRP  12          2HB       TRP  12   8.255   2.167 -10.081
   77    HD1  TRP  12           HD1      TRP  12   4.547   1.010 -11.032
   78    HE1  TRP  12           HE1      TRP  12   4.031   1.756 -13.494
   79    HE3  TRP  12           HE3      TRP  12   8.790   3.808 -11.724
   80    HZ2  TRP  12           HZ2      TRP  12   5.382   3.431 -15.368
   81    HZ3  TRP  12           HZ3      TRP  12   9.074   5.019 -13.854
   82    HH2  TRP  12           HH2      TRP  12   7.398   4.834 -15.649
   83    H    TYR  13           H        TYR  13   8.072   1.970  -7.113
   84    HA   TYR  13           HA       TYR  13  10.750   0.520  -7.271
   85   1HB   TYR  13          1HB       TYR  13   9.916   3.115  -5.794
   86   2HB   TYR  13          2HB       TYR  13  11.528   2.465  -5.849
   87    HD1  TYR  13           HD2      TYR  13  12.796   2.353  -8.097
   88    HD2  TYR  13           HD1      TYR  13   9.038   4.413  -7.709
   89    HE1  TYR  13           HE2      TYR  13  13.214   3.536 -10.210
   90    HE2  TYR  13           HE1      TYR  13   9.470   5.591  -9.814
   91    HH   TYR  13           HH       TYR  13  10.854   5.867 -11.522
   92    H    ASP  14           H        ASP  14   9.202   1.880  -4.286
   93    HA   ASP  14           HA       ASP  14  10.032  -0.672  -2.803
   94   1HB   ASP  14          1HB       ASP  14   9.161   2.108  -1.761
   95   2HB   ASP  14          2HB       ASP  14   9.506   0.733  -0.733
   96    HD1  ASP  14           HD2      ASP  14  12.941   0.834  -1.035
   97    H    GLU  15           H        GLU  15   8.413  -2.017  -3.525
   98    HA   GLU  15           HA       GLU  15   5.522  -1.224  -3.470
   99   1HB   GLU  15          1HB       GLU  15   6.974  -3.851  -4.279
  100   2HB   GLU  15          2HB       GLU  15   5.243  -3.599  -4.436
  101   1HG   GLU  15          1HG       GLU  15   5.627  -1.626  -5.967
  102   2HG   GLU  15          2HG       GLU  15   7.362  -1.882  -5.878
  103    HE1  GLU  15           HE2      GLU  15   4.984  -4.197  -8.162
  104    H    CYS  16           H        CYS  16   3.859  -2.172  -2.418
  105    HA   CYS  16           HA       CYS  16   4.270  -3.310   0.255
  106   1HB   CYS  16          1HB       CYS  16   2.305  -1.931  -0.398
  107   2HB   CYS  16          2HB       CYS  16   1.561  -3.202  -1.359
  108    H    CYS  17           H        CYS  17   3.438  -5.225   0.943
  109    HA   CYS  17           HA       CYS  17   4.411  -7.666  -0.472
  110   1HB   CYS  17          1HB       CYS  17   2.781  -7.240   2.074
  111   2HB   CYS  17          2HB       CYS  17   2.709  -8.845   1.368
  112    H    GLU  18           H        GLU  18   3.191  -9.502  -1.104
  113    HA   GLU  18           HA       GLU  18   0.514  -9.041  -2.505
  114   1HB   GLU  18          1HB       GLU  18   0.934 -11.282  -3.496
  115   2HB   GLU  18          2HB       GLU  18   2.277 -10.200  -3.785
  116   1HG   GLU  18          1HG       GLU  18   3.580 -11.319  -1.912
  117   2HG   GLU  18          2HG       GLU  18   2.246 -12.420  -1.636
  118    HE1  GLU  18           HE2      GLU  18   2.838 -14.431  -4.397
  119    H    GLY  19           H        GLY  19  -0.156  -8.640  -0.451
  120   1HA   GLY  19          1HA       GLY  19  -2.150 -10.356   0.345
  121   2HA   GLY  19          2HA       GLY  19  -1.033 -10.388   1.735
  122    H    PHE  20           H        PHE  20  -0.629  -7.394   0.455
  123    HA   PHE  20           HA       PHE  20  -3.165  -6.062   1.385
  124   1HB   PHE  20          1HB       PHE  20  -0.680  -4.510   2.112
  125   2HB   PHE  20          2HB       PHE  20  -2.278  -4.341   2.680
  126    HD1  PHE  20           HD2      PHE  20  -3.225  -5.939   4.473
  127    HD2  PHE  20           HD1      PHE  20   0.961  -5.730   3.494
  128    HE1  PHE  20           HE2      PHE  20  -2.668  -7.007   6.603
  129    HE2  PHE  20           HE1      PHE  20   1.497  -6.807   5.630
  130    HZ   PHE  20           HZ       PHE  20  -0.309  -7.396   7.214
  131    H    TYR  21           H        TYR  21  -3.589  -4.629  -0.138
  132    HA   TYR  21           HA       TYR  21  -1.808  -4.363  -2.614
  133   1HB   TYR  21          1HB       TYR  21  -3.685  -3.435  -3.781
  134   2HB   TYR  21          2HB       TYR  21  -4.210  -4.869  -2.980
  135    HD1  TYR  21           HD2      TYR  21  -4.545  -1.155  -3.084
  136    HD2  TYR  21           HD1      TYR  21  -6.006  -4.758  -1.245
  137    HE1  TYR  21           HE2      TYR  21  -6.528   0.051  -2.285
  138    HE2  TYR  21           HE1      TYR  21  -7.997  -3.543  -0.464
  139    HH   TYR  21           HH       TYR  21  -8.441  -0.079  -1.168
  140    H    CYS  22           H        CYS  22  -0.764  -2.536  -3.194
  141    HA   CYS  22           HA       CYS  22  -0.262  -0.500  -1.164
  142   1HB   CYS  22          1HB       CYS  22   1.471  -1.393  -2.758
  143   2HB   CYS  22          2HB       CYS  22   0.636  -0.684  -4.133
  144    H    SER  23           H        SER  23  -2.094   0.525  -0.811
  145    HA   SER  23           HA       SER  23  -3.794   2.047  -2.773
  146   1HB   SER  23          1HB       SER  23  -4.663   1.110  -0.602
  147   2HB   SER  23          2HB       SER  23  -3.596   2.269   0.294
  148    HG   SER  23           HG       SER  23  -5.661   2.908  -1.571
  149    H    CYS  24           H        CYS  24  -2.776   3.675  -3.817
  150    HA   CYS  24           HA       CYS  24  -0.778   5.464  -2.381
  151   1HB   CYS  24          1HB       CYS  24  -1.316   4.972  -5.361
  152   2HB   CYS  24          2HB       CYS  24  -0.114   6.105  -4.695
  153    H    ARG  25           H        ARG  25  -3.223   5.990  -4.760
  154    HA   ARG  25           HA       ARG  25  -4.950   7.642  -5.127
  155   1HB   ARG  25          1HB       ARG  25  -5.028   7.596  -2.380
  156   2HB   ARG  25          2HB       ARG  25  -4.230   9.138  -2.507
  157   1HG   ARG  25          1HG       ARG  25  -6.543   9.634  -2.310
  158   2HG   ARG  25          2HG       ARG  25  -6.169   9.948  -3.990
  159   1HD   ARG  25          1HD       ARG  25  -8.307   8.830  -3.904
  160   2HD   ARG  25          2HD       ARG  25  -7.202   7.704  -4.647
  161   1HH1  ARG  25          2HH2      ARG  25  -6.403   5.906  -4.296
  162   2HH1  ARG  25          1HH2      ARG  25  -6.551   4.320  -3.385
  163   1HH2  ARG  25          1HH1      ARG  25  -8.519   5.665  -0.904
  164   2HH2  ARG  25          2HH1      ARG  25  -7.666   4.196  -1.597
  165    H    GLN  26           H        GLN  26  -2.069   9.111  -3.616
  166    HA   GLN  26           HA       GLN  26  -1.608  10.787  -6.145
  167   1HB   GLN  26          1HB       GLN  26  -0.894  12.749  -4.779
  168   2HB   GLN  26          2HB       GLN  26  -2.610  12.438  -4.775
  169   1HG   GLN  26          1HG       GLN  26  -2.533  11.557  -2.446
  170   2HG   GLN  26          2HG       GLN  26  -0.791  11.695  -2.387
  171   1HE2  GLN  26          2HE2      GLN  26  -0.901  15.219  -1.635
  172   2HE2  GLN  26          1HE2      GLN  26   0.124  13.752  -2.038
  173    HA   PRO  27           HA       PRO  27   2.218   8.317  -4.890
  174   1HB   PRO  27          1HB       PRO  27   2.736   8.712  -7.894
  175   2HB   PRO  27          2HB       PRO  27   2.982   7.256  -6.908
  176   1HG   PRO  27          1HG       PRO  27   0.813   7.438  -8.546
  177   2HG   PRO  27          2HG       PRO  27   0.618   6.746  -6.919
  178   1HD   PRO  27          1HD       PRO  27  -0.087   9.587  -7.847
  179   2HD   PRO  27          2HD       PRO  27  -1.025   8.467  -6.814
  180    HA   PRO  28           HA       PRO  28   4.565   7.928  -4.815
  181   1HB   PRO  28          1HB       PRO  28   6.757   8.591  -3.283
  182   2HB   PRO  28          2HB       PRO  28   6.758   8.769  -5.041
  183   1HG   PRO  28          1HG       PRO  28   6.213  10.957  -2.960
  184   2HG   PRO  28          2HG       PRO  28   7.382  11.003  -4.305
  185   1HD   PRO  28          1HD       PRO  28   4.840  12.101  -4.527
  186   2HD   PRO  28          2HD       PRO  28   5.649  11.347  -5.931
  187    H    LYS  29           H        LYS  29   2.819  10.084  -2.900
  188    HA   LYS  29           HA       LYS  29   3.274   8.786  -0.235
  189   1HB   LYS  29          1HB       LYS  29   2.524  11.184  -0.453
  190   2HB   LYS  29          2HB       LYS  29   1.045  10.686  -1.249
  191   1HG   LYS  29          1HG       LYS  29   0.566  11.281   1.048
  192   2HG   LYS  29          2HG       LYS  29   0.233   9.575   0.817
  193   1HD   LYS  29          1HD       LYS  29   2.503   9.030   1.929
  194   2HD   LYS  29          2HD       LYS  29   2.748  10.752   2.167
  195   1HE   LYS  29          1HE       LYS  29   1.961   9.868   4.262
  196   2HE   LYS  29          2HE       LYS  29   0.633  10.829   3.614
  197   1HZ   LYS  29          1HZ       LYS  29  -0.146   8.741   4.467
  198   2HZ   LYS  29          2HZ       LYS  29  -0.407   8.776   2.853
  199    H    CYS  30           H        CYS  30   2.399   7.026   0.433
  200    HA   CYS  30           HA       CYS  30  -0.157   5.750  -0.545
  201   1HB   CYS  30          1HB       CYS  30   2.099   5.265  -2.134
  202   2HB   CYS  30          2HB       CYS  30   2.312   4.044  -0.945
  203    H    ILE  31           H        ILE  31  -0.162   3.586   0.256
  204    HA   ILE  31           HA       ILE  31   1.602   2.694   2.431
  205    HB   ILE  31           HB       ILE  31  -0.297   2.014   4.226
  206   1HG1  ILE  31          1HG1      ILE  31  -1.753   4.486   3.103
  207   2HG1  ILE  31          2HG1      ILE  31  -2.127   2.796   2.677
  208   1HG2  ILE  31          2HG2      ILE  31   1.579   3.506   4.680
  209   2HG2  ILE  31          3HG2      ILE  31   0.601   4.931   4.157
  210   3HG2  ILE  31          1HG2      ILE  31   0.121   3.906   5.551
  211   1HD1  ILE  31          2HD1      ILE  31  -2.483   2.157   5.047
  212   2HD1  ILE  31          3HD1      ILE  31  -2.158   3.823   5.574
  213   3HD1  ILE  31          1HD1      ILE  31  -3.585   3.470   4.555
  214    H    CYS  32           H        CYS  32   0.744   0.610   3.365
  215    HA   CYS  32           HA       CYS  32  -0.341  -1.227   1.306
  216   1HB   CYS  32          1HB       CYS  32   0.884  -1.354   4.019
  217   2HB   CYS  32          2HB       CYS  32   0.140  -2.746   3.422
  218    H    ARG  33           H        ARG  33  -2.022  -2.005   1.593
  219    HA   ARG  33           HA       ARG  33  -4.162  -1.313   3.727
  220   1HB   ARG  33          1HB       ARG  33  -4.037   0.611   2.114
  221   2HB   ARG  33          2HB       ARG  33  -4.202  -0.533   0.750
  222   1HG   ARG  33          1HG       ARG  33  -6.191   0.815   1.210
  223   2HG   ARG  33          2HG       ARG  33  -6.441  -0.913   1.133
  224   1HD   ARG  33          1HD       ARG  33  -7.861   0.106   2.895
  225   2HD   ARG  33          2HD       ARG  33  -6.790  -1.099   3.563
  226   1HH1  ARG  33          2HH2      ARG  33  -6.083  -1.268   5.303
  227   2HH1  ARG  33          1HH2      ARG  33  -5.443  -0.501   6.843
  228   1HH2  ARG  33          1HH1      ARG  33  -5.595   2.696   5.592
  229   2HH2  ARG  33          2HH1      ARG  33  -5.188   1.581   6.991
  230    H    ASN  34           H        ASN  34  -5.221  -3.033   4.242
  231    HA   ASN  34           HA       ASN  34  -4.888  -5.586   2.912
  232   1HB   ASN  34          1HB       ASN  34  -6.394  -6.493   4.644
  233   2HB   ASN  34          2HB       ASN  34  -5.261  -5.393   5.349
  234   1HD2  ASN  34          1HD2      ASN  34  -9.216  -4.671   5.956
  235   2HD2  ASN  34          2HD2      ASN  34  -8.604  -6.085   4.960
  236    H    ASN  35           H        ASN  35  -6.027  -6.777   1.628
  237    HA   ASN  35           HA       ASN  35  -8.551  -5.790   0.234
  238   1HB   ASN  35          1HB       ASN  35  -8.324  -7.853  -1.145
  239   2HB   ASN  35          2HB       ASN  35  -6.949  -6.811  -1.239
  240   1HD2  ASN  35          1HD2      ASN  35  -6.273 -10.676  -0.246
  241   2HD2  ASN  35          2HD2      ASN  35  -7.946 -10.019  -0.615
  242    H    ASN  36           H        ASN  36  -7.615  -8.729   2.178
  243    HA   ASN  36           HA       ASN  36 -10.553  -9.262   2.797
  244   1HB   ASN  36          1HB       ASN  36  -8.925 -11.131   2.106
  245   2HB   ASN  36          2HB       ASN  36  -8.005 -10.855   3.565
  246   1HD2  ASN  36          1HD2      ASN  36 -11.535 -12.972   3.796
  247   2HD2  ASN  36          2HD2      ASN  36 -11.056 -12.060   2.278
  248   1HN   NH2  37          1HN       NH2  37  -7.357  -9.095   4.907
  249   2HN   NH2  37          2HN       NH2  37  -8.146  -8.262   6.264
   
  No H/Q in entry =         249
  Start of MODEL    9
    1   1H    GLU   1          1H        GLU   1  11.379 -11.116   0.396
    2   2H    GLU   1          2H        GLU   1  11.391  -9.559  -0.102
    3    HA   GLU   1           HA       GLU   1   9.715 -10.655   2.096
    4   1HB   GLU   1          1HB       GLU   1  12.243  -8.852   2.113
    5   2HB   GLU   1          2HB       GLU   1  11.186  -9.062   3.503
    6   1HG   GLU   1          1HG       GLU   1  11.634 -11.547   3.520
    7   2HG   GLU   1          2HG       GLU   1  12.721 -11.370   2.147
    8    HE1  GLU   1           HE2      GLU   1  15.341  -9.971   3.932
    9    H    CYS   2           H        CYS   2   7.909  -9.559   2.201
   10    HA   CYS   2           HA       CYS   2   7.459  -7.006   0.749
   11   1HB   CYS   2          1HB       CYS   2   5.588  -8.123   0.546
   12   2HB   CYS   2          2HB       CYS   2   5.608  -9.195   1.928
   13    H    VAL   3           H        VAL   3   6.140  -5.658   1.539
   14    HA   VAL   3           HA       VAL   3   6.830  -4.096   4.122
   15    HB   VAL   3           HB       VAL   3   5.294  -3.147   1.627
   16   1HG1  VAL   3          3HG2      VAL   3   6.241  -1.465   4.083
   17   2HG1  VAL   3          1HG2      VAL   3   5.524  -0.773   2.610
   18   3HG1  VAL   3          2HG2      VAL   3   4.566  -1.829   3.636
   19   1HG2  VAL   3          1HG1      VAL   3   8.206  -2.400   2.473
   20   2HG2  VAL   3          2HG1      VAL   3   7.729  -3.334   1.036
   21   3HG2  VAL   3          3HG1      VAL   3   7.303  -1.621   1.149
   22    HA   PRO   4           HA       PRO   4   2.298  -5.574   4.801
   23   1HB   PRO   4          1HB       PRO   4   2.185  -5.809   7.461
   24   2HB   PRO   4          2HB       PRO   4   3.299  -6.873   6.583
   25   1HG   PRO   4          1HG       PRO   4   3.981  -4.101   7.794
   26   2HG   PRO   4          2HG       PRO   4   4.509  -5.680   8.293
   27   1HD   PRO   4          1HD       PRO   4   5.918  -4.101   6.344
   28   2HD   PRO   4          2HD       PRO   4   5.888  -5.885   6.134
   29    H    GLU   5           H        GLU   5   0.978  -4.545   6.936
   30    HA   GLU   5           HA       GLU   5  -0.183  -2.208   5.540
   31   1HB   GLU   5          1HB       GLU   5  -1.478  -3.921   6.333
   32   2HB   GLU   5          2HB       GLU   5  -0.775  -3.855   7.959
   33   1HG   GLU   5          1HG       GLU   5  -1.707  -2.153   8.587
   34   2HG   GLU   5          2HG       GLU   5  -2.359  -1.463   7.066
   35    HE2  GLU   5           HE2      GLU   5  -5.186  -3.523   6.941
   36    H    ASN   6           H        ASN   6  -0.572  -0.346   6.262
   37    HA   ASN   6           HA       ASN   6   0.103   1.821   6.631
   38   1HB   ASN   6          1HB       ASN   6   1.184   0.884   9.391
   39   2HB   ASN   6          2HB       ASN   6   0.550   2.412   8.792
   40   1HD2  ASN   6          1HD2      ASN   6  -2.129   0.180  10.678
   41   2HD2  ASN   6          2HD2      ASN   6  -0.320  -0.128  10.696
   42    H    GLY   7           H        GLY   7   2.297  -0.351   5.772
   43   1HA   GLY   7          1HA       GLY   7   4.882   1.179   6.112
   44   2HA   GLY   7          2HA       GLY   7   4.675  -0.157   5.135
   45    H    HIS   8           H        HIS   8   5.337   2.558   4.871
   46    HA   HIS   8           HA       HIS   8   3.429   3.829   2.901
   47   1HB   HIS   8          1HB       HIS   8   6.004   4.839   4.269
   48   2HB   HIS   8          2HB       HIS   8   5.477   5.651   2.825
   49    HD2  HIS   8           HD2      HIS   8   3.641   4.635   6.211
   50    HE1  HIS   8           HE1      HIS   8   2.201   8.331   4.979
   51    HE2  HIS   8           HE2      HIS   8   2.015   6.612   6.880
   52    H    CYS   9           H        CYS   9   3.512   3.817   0.675
   53    HA   CYS   9           HA       CYS   9   6.064   2.639  -0.582
   54   1HB   CYS   9          2HB       CYS   9   4.519   1.244  -1.891
   55   2HB   CYS   9          1HB       CYS   9   4.522   0.795  -0.197
   56    H    ARG  10           H        ARG  10   6.680   4.768  -1.320
   57    HA   ARG  10           HA       ARG  10   4.819   6.581  -2.670
   58   1HB   ARG  10          1HB       ARG  10   7.856   6.777  -2.230
   59   2HB   ARG  10          2HB       ARG  10   6.692   8.054  -2.388
   60   1HG   ARG  10          1HG       ARG  10   7.151   8.319  -0.187
   61   2HG   ARG  10          2HG       ARG  10   5.802   7.199   0.016
   62   1HD   ARG  10          1HD       ARG  10   7.393   5.273   0.229
   63   2HD   ARG  10          2HD       ARG  10   8.758   6.315  -0.169
   64   1HH1  ARG  10          2HH2      ARG  10   9.116   4.411   1.372
   65   2HH1  ARG  10          1HH2      ARG  10   9.682   4.239   3.109
   66   1HH2  ARG  10          1HH1      ARG  10   8.254   7.211   4.104
   67   2HH2  ARG  10          2HH1      ARG  10   9.225   5.719   4.549
   68    H    ASP  11           H        ASP  11   6.840   7.496  -4.046
   69    HA   ASP  11           HA       ASP  11   6.920   5.934  -6.725
   70   1HB   ASP  11          1HB       ASP  11   6.476   8.549  -6.506
   71   2HB   ASP  11          2HB       ASP  11   8.186   8.732  -6.179
   72    HD1  ASP  11           HD2      ASP  11   6.735   7.796  -9.870
   73    H    TRP  12           H        TRP  12   8.211   4.657  -4.919
   74    HA   TRP  12           HA       TRP  12  10.760   3.730  -5.635
   75   1HB   TRP  12          1HB       TRP  12  12.331   4.622  -3.974
   76   2HB   TRP  12          2HB       TRP  12  11.994   5.765  -5.240
   77    HD1  TRP  12           HD1      TRP  12  10.526   8.081  -4.547
   78    HE1  TRP  12           HE1      TRP  12  10.337   9.449  -2.311
   79    HE3  TRP  12           HE3      TRP  12  12.306   4.408  -1.471
   80    HZ2  TRP  12           HZ2      TRP  12  10.963   8.849   0.411
   81    HZ3  TRP  12           HZ3      TRP  12  12.503   4.876   0.948
   82    HH2  TRP  12           HH2      TRP  12  11.843   7.060   1.874
   83    H    TYR  13           H        TYR  13  10.148   1.834  -4.654
   84    HA   TYR  13           HA       TYR  13   9.377   1.543  -1.863
   85   1HB   TYR  13          1HB       TYR  13   7.034   1.121  -2.021
   86   2HB   TYR  13          2HB       TYR  13   7.279   2.688  -2.700
   87    HD1  TYR  13           HD2      TYR  13   7.355   2.803  -5.426
   88    HD2  TYR  13           HD1      TYR  13   5.641  -0.416  -3.155
   89    HE1  TYR  13           HE2      TYR  13   6.006   2.144  -7.371
   90    HE2  TYR  13           HE1      TYR  13   4.292  -1.072  -5.104
   91    HH   TYR  13           HH       TYR  13   3.773  -0.633  -7.217
   92    H    ASP  14           H        ASP  14   9.715  -0.213  -1.457
   93    HA   ASP  14           HA       ASP  14   9.984  -2.742  -3.109
   94   1HB   ASP  14          1HB       ASP  14  11.356  -2.452  -1.014
   95   2HB   ASP  14          2HB       ASP  14   9.908  -2.396  -0.027
   96    HD1  ASP  14           HD2      ASP  14  11.410  -5.889  -1.399
   97    H    GLU  15           H        GLU  15   8.404  -4.292  -3.366
   98    HA   GLU  15           HA       GLU  15   5.695  -3.410  -3.585
   99   1HB   GLU  15          1HB       GLU  15   5.180  -5.635  -4.357
  100   2HB   GLU  15          2HB       GLU  15   6.780  -5.278  -4.921
  101   1HG   GLU  15          1HG       GLU  15   6.037  -7.195  -2.610
  102   2HG   GLU  15          2HG       GLU  15   6.460  -7.649  -4.242
  103    HE2  GLU  15           HE2      GLU  15   9.271  -7.294  -1.521
  104    H    CYS  16           H        CYS  16   3.803  -3.566  -2.463
  105    HA   CYS  16           HA       CYS  16   3.827  -4.339   0.368
  106   1HB   CYS  16          1HB       CYS  16   2.293  -2.570  -0.605
  107   2HB   CYS  16          2HB       CYS  16   1.217  -3.779  -1.294
  108    H    CYS  17           H        CYS  17   2.649  -5.825   1.227
  109    HA   CYS  17           HA       CYS  17   3.229  -8.541   0.662
  110   1HB   CYS  17          1HB       CYS  17   1.000  -7.269   2.406
  111   2HB   CYS  17          2HB       CYS  17   1.192  -9.011   2.394
  112    H    GLU  18           H        GLU  18   1.817 -10.439   0.582
  113    HA   GLU  18           HA       GLU  18  -0.360 -10.341  -1.557
  114   1HB   GLU  18          1HB       GLU  18   1.351 -12.718  -0.542
  115   2HB   GLU  18          2HB       GLU  18  -0.125 -12.928  -1.479
  116   1HG   GLU  18          1HG       GLU  18   0.798 -11.575  -3.367
  117   2HG   GLU  18          2HG       GLU  18   2.289 -11.292  -2.476
  118    HE1  GLU  18           HE2      GLU  18   3.635 -14.444  -3.001
  119    H    GLY  19           H        GLY  19  -1.601  -9.474  -0.273
  120   1HA   GLY  19          1HA       GLY  19  -3.706 -10.369   1.123
  121   2HA   GLY  19          2HA       GLY  19  -2.515 -10.455   2.440
  122    H    PHE  20           H        PHE  20  -1.290  -7.903   0.892
  123    HA   PHE  20           HA       PHE  20  -3.411  -5.854   1.525
  124   1HB   PHE  20          1HB       PHE  20  -0.609  -5.097   2.419
  125   2HB   PHE  20          2HB       PHE  20  -2.073  -4.263   2.678
  126    HD1  PHE  20           HD2      PHE  20  -3.852  -5.220   4.342
  127    HD2  PHE  20           HD1      PHE  20   0.264  -6.427   4.296
  128    HE1  PHE  20           HE2      PHE  20  -4.088  -6.108   6.608
  129    HE2  PHE  20           HE1      PHE  20   0.032  -7.276   6.578
  130    HZ   PHE  20           HZ       PHE  20  -2.133  -7.083   7.757
  131    H    TYR  21           H        TYR  21  -3.358  -4.493   0.000
  132    HA   TYR  21           HA       TYR  21  -1.295  -4.542  -2.299
  133   1HB   TYR  21          1HB       TYR  21  -2.953  -3.704  -3.783
  134   2HB   TYR  21          2HB       TYR  21  -3.702  -5.010  -2.935
  135    HD1  TYR  21           HD1      TYR  21  -5.459  -4.442  -1.082
  136    HD2  TYR  21           HD2      TYR  21  -3.898  -1.441  -3.734
  137    HE1  TYR  21           HE1      TYR  21  -7.355  -2.972  -0.544
  138    HE2  TYR  21           HE2      TYR  21  -5.785   0.026  -3.177
  139    HH   TYR  21           HH       TYR  21  -7.632   0.280  -1.972
  140    H    CYS  22           H        CYS  22  -0.247  -2.640  -2.942
  141    HA   CYS  22           HA       CYS  22  -0.020  -0.476  -0.997
  142   1HB   CYS  22          1HB       CYS  22   1.877  -1.248  -2.422
  143   2HB   CYS  22          2HB       CYS  22   1.035  -0.803  -3.900
  144    H    SER  23           H        SER  23  -1.958   0.347  -0.813
  145    HA   SER  23           HA       SER  23  -3.562   1.814  -2.908
  146   1HB   SER  23          1HB       SER  23  -4.557   0.886  -0.790
  147   2HB   SER  23          2HB       SER  23  -3.609   2.116   0.155
  148    HG   SER  23           HG       SER  23  -5.775   2.725  -0.313
  149    H    CYS  24           H        CYS  24  -2.689   3.570  -3.850
  150    HA   CYS  24           HA       CYS  24  -0.922   5.503  -2.259
  151   1HB   CYS  24          1HB       CYS  24  -1.144   4.984  -5.282
  152   2HB   CYS  24          2HB       CYS  24  -0.103   6.201  -4.503
  153    H    ARG  25           H        ARG  25  -3.198   5.690  -4.804
  154    HA   ARG  25           HA       ARG  25  -4.975   7.216  -5.475
  155   1HB   ARG  25          1HB       ARG  25  -5.534   7.506  -2.945
  156   2HB   ARG  25          2HB       ARG  25  -4.402   8.841  -2.881
  157   1HG   ARG  25          1HG       ARG  25  -6.559   9.761  -3.000
  158   2HG   ARG  25          2HG       ARG  25  -5.789  10.155  -4.516
  159   1HD   ARG  25          1HD       ARG  25  -7.750   7.772  -4.181
  160   2HD   ARG  25          2HD       ARG  25  -8.298   9.417  -4.506
  161   1HH1  ARG  25          2HH2      ARG  25  -9.515   7.526  -5.557
  162   2HH1  ARG  25          1HH2      ARG  25  -9.868   7.008  -7.282
  163   1HH2  ARG  25          1HH1      ARG  25  -6.893   8.246  -8.498
  164   2HH2  ARG  25          2HH1      ARG  25  -8.480   7.389  -8.834
  165    H    GLN  26           H        GLN  26  -2.289   8.976  -3.910
  166    HA   GLN  26           HA       GLN  26  -1.370   9.975  -6.602
  167   1HB   GLN  26          1HB       GLN  26  -2.918  11.805  -5.752
  168   2HB   GLN  26          2HB       GLN  26  -1.898  12.010  -4.334
  169   1HG   GLN  26          1HG       GLN  26   0.060  12.609  -5.906
  170   2HG   GLN  26          2HG       GLN  26  -1.024  12.428  -7.274
  171   1HE2  GLN  26          2HE2      GLN  26  -1.213  15.888  -5.074
  172   2HE2  GLN  26          1HE2      GLN  26  -0.150  14.475  -4.584
  173    HA   PRO  27           HA       PRO  27   2.317   8.835  -3.895
  174   1HB   PRO  27          1HB       PRO  27   4.204   8.541  -5.919
  175   2HB   PRO  27          2HB       PRO  27   3.006   7.306  -5.508
  176   1HG   PRO  27          1HG       PRO  27   2.864   9.364  -7.760
  177   2HG   PRO  27          2HG       PRO  27   2.511   7.624  -7.847
  178   1HD   PRO  27          1HD       PRO  27   0.534   9.547  -7.590
  179   2HD   PRO  27          2HD       PRO  27   0.333   7.922  -6.865
  180    HA   PRO  28           HA       PRO  28   4.721   9.056  -3.225
  181   1HB   PRO  28          1HB       PRO  28   6.071  10.422  -1.241
  182   2HB   PRO  28          2HB       PRO  28   6.571  10.500  -2.934
  183   1HG   PRO  28          1HG       PRO  28   4.804  12.515  -1.432
  184   2HG   PRO  28          2HG       PRO  28   6.302  12.858  -2.343
  185   1HD   PRO  28          1HD       PRO  28   3.811  13.142  -3.503
  186   2HD   PRO  28          2HD       PRO  28   5.194  12.537  -4.463
  187    H    LYS  29           H        LYS  29   1.933  10.626  -2.190
  188    HA   LYS  29           HA       LYS  29   1.865   9.496   0.612
  189   1HB   LYS  29          1HB       LYS  29   0.577  11.588  -0.115
  190   2HB   LYS  29          2HB       LYS  29  -0.452  10.590  -1.134
  191   1HG   LYS  29          1HG       LYS  29  -1.203   9.303   0.931
  192   2HG   LYS  29          2HG       LYS  29  -0.146  10.304   1.929
  193   1HD   LYS  29          1HD       LYS  29  -1.440  12.368   1.219
  194   2HD   LYS  29          2HD       LYS  29  -2.494  11.359   0.219
  195   1HE   LYS  29          1HE       LYS  29  -3.243  10.086   2.293
  196   2HE   LYS  29          2HE       LYS  29  -2.189  11.096   3.293
  197   1HZ   LYS  29          1HZ       LYS  29  -4.425  11.915   3.306
  198   2HZ   LYS  29          2HZ       LYS  29  -3.449  13.028   2.615
  199    H    CYS  30           H        CYS  30   1.633   7.418   0.928
  200    HA   CYS  30           HA       CYS  30  -0.428   5.706  -0.348
  201   1HB   CYS  30          1HB       CYS  30   1.807   5.701  -1.931
  202   2HB   CYS  30          2HB       CYS  30   2.293   4.505  -0.764
  203    H    ILE  31           H        ILE  31  -0.282   3.750   0.424
  204    HA   ILE  31           HA       ILE  31   1.590   2.708   2.471
  205    HB   ILE  31           HB       ILE  31  -0.208   1.981   4.335
  206   1HG1  ILE  31          1HG1      ILE  31  -1.759   4.449   3.334
  207   2HG1  ILE  31          2HG1      ILE  31  -2.133   2.767   2.890
  208   1HG2  ILE  31          2HG2      ILE  31   1.646   3.484   4.754
  209   2HG2  ILE  31          3HG2      ILE  31   0.652   4.911   4.261
  210   3HG2  ILE  31          1HG2      ILE  31   0.213   3.895   5.670
  211   1HD1  ILE  31          3HD1      ILE  31  -2.359   2.083   5.274
  212   2HD1  ILE  31          1HD1      ILE  31  -2.060   3.756   5.798
  213   3HD1  ILE  31          2HD1      ILE  31  -3.517   3.366   4.835
  214    H    CYS  32           H        CYS  32   0.767   0.595   3.386
  215    HA   CYS  32           HA       CYS  32  -0.363  -1.199   1.339
  216   1HB   CYS  32          1HB       CYS  32   0.929  -1.370   4.040
  217   2HB   CYS  32          2HB       CYS  32   0.110  -2.726   3.442
  218    H    ARG  33           H        ARG  33  -2.008  -1.971   1.629
  219    HA   ARG  33           HA       ARG  33  -4.229  -1.229   3.678
  220   1HB   ARG  33          1HB       ARG  33  -4.018   0.614   1.951
  221   2HB   ARG  33          2HB       ARG  33  -4.142  -0.614   0.660
  222   1HG   ARG  33          1HG       ARG  33  -6.133   0.646   0.789
  223   2HG   ARG  33          2HG       ARG  33  -6.448  -1.037   1.169
  224   1HD   ARG  33          1HD       ARG  33  -6.450  -0.340   3.710
  225   2HD   ARG  33          2HD       ARG  33  -6.280   1.324   3.179
  226   1HH1  ARG  33          2HH2      ARG  33  -7.843  -1.609   4.105
  227   2HH1  ARG  33          1HH2      ARG  33  -9.637  -1.985   4.194
  228   1HH2  ARG  33          1HH1      ARG  33 -10.533   0.729   2.277
  229   2HH2  ARG  33          2HH1      ARG  33 -11.053  -0.751   3.229
  230    H    ASN  34           H        ASN  34  -5.815  -2.652   3.981
  231    HA   ASN  34           HA       ASN  34  -5.446  -5.384   2.906
  232   1HB   ASN  34          1HB       ASN  34  -6.117  -4.712   5.311
  233   2HB   ASN  34          2HB       ASN  34  -7.701  -4.254   4.720
  234   1HD2  ASN  34          1HD2      ASN  34  -8.740  -7.640   5.320
  235   2HD2  ASN  34          2HD2      ASN  34  -9.093  -5.840   5.331
  236    H    ASN  35           H        ASN  35  -6.331  -6.330   1.316
  237    HA   ASN  35           HA       ASN  35  -8.747  -5.248  -0.215
  238   1HB   ASN  35          1HB       ASN  35  -8.220  -7.156  -1.823
  239   2HB   ASN  35          2HB       ASN  35  -7.075  -5.876  -1.742
  240   1HD2  ASN  35          1HD2      ASN  35  -5.674  -9.629  -1.140
  241   2HD2  ASN  35          2HD2      ASN  35  -7.440  -9.269  -1.489
  242    H    ASN  36           H        ASN  36  -7.755  -8.509   1.104
  243    HA   ASN  36           HA       ASN  36 -10.735  -9.140   1.518
  244   1HB   ASN  36          1HB       ASN  36  -9.318 -10.570  -0.097
  245   2HB   ASN  36          2HB       ASN  36  -8.326 -11.070   1.252
  246   1HD2  ASN  36          1HD2      ASN  36 -12.053 -12.769   0.757
  247   2HD2  ASN  36          2HD2      ASN  36 -11.527 -11.299  -0.207
  248   1HN   NH2  37          1HN       NH2  37  -7.418 -10.132   3.158
  249   2HN   NH2  37          2HN       NH2  37  -8.048  -9.972   4.812
   
  No H/Q in entry =         249
  Start of MODEL   10
    1   1H    GLU   1          1H        GLU   1  11.507  -6.882  -2.169
    2   2H    GLU   1          2H        GLU   1  12.193  -8.278  -1.667
    3    HA   GLU   1           HA       GLU   1  10.941  -8.259   0.401
    4   1HB   GLU   1          1HB       GLU   1  12.128  -6.352   1.441
    5   2HB   GLU   1          2HB       GLU   1  13.180  -7.254   0.381
    6   1HG   GLU   1          1HG       GLU   1  12.956  -5.406  -1.387
    7   2HG   GLU   1          2HG       GLU   1  11.942  -4.497  -0.275
    8    HE1  GLU   1           HE2      GLU   1  15.939  -4.748   0.249
    9    H    CYS   2           H        CYS   2   9.090  -7.708   1.296
   10    HA   CYS   2           HA       CYS   2   7.386  -5.523   0.083
   11   1HB   CYS   2          1HB       CYS   2   5.931  -7.047   0.289
   12   2HB   CYS   2          2HB       CYS   2   6.584  -8.137   1.449
   13    H    VAL   3           H        VAL   3   6.184  -4.550   1.251
   14    HA   VAL   3           HA       VAL   3   7.059  -3.034   3.798
   15    HB   VAL   3           HB       VAL   3   5.152  -2.108   1.582
   16   1HG1  VAL   3          3HG2      VAL   3   4.596  -0.999   3.785
   17   2HG1  VAL   3          1HG2      VAL   3   6.267  -0.476   4.021
   18   3HG1  VAL   3          2HG2      VAL   3   5.282   0.206   2.708
   19   1HG2  VAL   3          2HG1      VAL   3   7.526  -1.971   0.687
   20   2HG2  VAL   3          3HG1      VAL   3   6.895  -0.341   0.939
   21   3HG2  VAL   3          1HG1      VAL   3   8.046  -1.038   2.107
   22    HA   PRO   4           HA       PRO   4   2.818  -5.063   4.819
   23   1HB   PRO   4          1HB       PRO   4   2.866  -5.180   7.491
   24   2HB   PRO   4          2HB       PRO   4   4.074  -6.126   6.599
   25   1HG   PRO   4          1HG       PRO   4   4.421  -3.226   7.645
   26   2HG   PRO   4          2HG       PRO   4   5.170  -4.695   8.183
   27   1HD   PRO   4          1HD       PRO   4   6.267  -3.033   6.090
   28   2HD   PRO   4          2HD       PRO   4   6.476  -4.813   5.957
   29    H    GLU   5           H        GLU   5   1.418  -4.152   6.927
   30    HA   GLU   5           HA       GLU   5   0.032  -1.934   5.502
   31   1HB   GLU   5          1HB       GLU   5  -1.058  -3.836   6.128
   32   2HB   GLU   5          2HB       GLU   5  -0.489  -3.751   7.802
   33   1HG   GLU   5          1HG       GLU   5  -1.770  -2.359   8.472
   34   2HG   GLU   5          2HG       GLU   5  -2.192  -1.438   7.000
   35    HE2  GLU   5           HE2      GLU   5  -4.592  -4.365   8.247
   36    H    ASN   6           H        ASN   6  -0.494  -0.197   6.176
   37    HA   ASN   6           HA       ASN   6  -0.114   1.994   6.576
   38   1HB   ASN   6          1HB       ASN   6   0.895   1.233   9.436
   39   2HB   ASN   6          2HB       ASN   6   0.124   2.668   8.771
   40   1HD2  ASN   6          1HD2      ASN   6  -2.382   0.100  10.503
   41   2HD2  ASN   6          2HD2      ASN   6  -0.554  -0.032  10.594
   42    H    GLY   7           H        GLY   7   2.426  -0.044   6.238
   43   1HA   GLY   7          1HA       GLY   7   4.787   1.816   6.488
   44   2HA   GLY   7          2HA       GLY   7   4.776   0.341   5.661
   45    H    HIS   8           H        HIS   8   5.469   2.887   4.951
   46    HA   HIS   8           HA       HIS   8   3.516   3.988   2.965
   47   1HB   HIS   8          1HB       HIS   8   6.414   4.946   3.502
   48   2HB   HIS   8          2HB       HIS   8   5.296   5.758   2.427
   49    HD2  HIS   8           HD2      HIS   8   2.681   6.379   3.863
   50    HE1  HIS   8           HE1      HIS   8   4.785   7.454   7.276
   51    HE2  HIS   8           HE2      HIS   8   2.487   7.685   6.150
   52    H    CYS   9           H        CYS   9   3.398   3.409   0.715
   53    HA   CYS   9           HA       CYS   9   5.604   1.403  -0.017
   54   1HB   CYS   9          1HB       CYS   9   3.891   0.262  -1.226
   55   2HB   CYS   9          2HB       CYS   9   3.396   0.499   0.429
   56    H    ARG  10           H        ARG  10   6.117   1.098  -1.994
   57    HA   ARG  10           HA       ARG  10   7.314   1.588  -3.959
   58   1HB   ARG  10          1HB       ARG  10   5.293   3.909  -4.419
   59   2HB   ARG  10          2HB       ARG  10   6.526   3.379  -5.540
   60   1HG   ARG  10          1HG       ARG  10   4.126   1.684  -4.640
   61   2HG   ARG  10          2HG       ARG  10   4.332   2.512  -6.180
   62   1HD   ARG  10          1HD       ARG  10   6.456   1.080  -6.574
   63   2HD   ARG  10          2HD       ARG  10   6.042   0.157  -5.127
   64   1HH1  ARG  10          2HH2      ARG  10   7.011  -0.730  -7.498
   65   2HH1  ARG  10          1HH2      ARG  10   6.432  -2.003  -8.686
   66   1HH2  ARG  10          1HH1      ARG  10   3.106  -1.489  -7.963
   67   2HH2  ARG  10          2HH1      ARG  10   4.372  -2.401  -8.929
   68    H    ASP  11           H        ASP  11   8.742   1.996  -2.213
   69    HA   ASP  11           HA       ASP  11   9.851   4.785  -1.882
   70   1HB   ASP  11          1HB       ASP  11  10.789   2.021  -0.857
   71   2HB   ASP  11          2HB       ASP  11  11.659   3.503  -0.621
   72    HD1  ASP  11           HD2      ASP  11   9.475   4.838   1.764
   73    H    TRP  12           H        TRP  12   9.884   4.839  -4.138
   74    HA   TRP  12           HA       TRP  12  11.180   5.227  -6.190
   75   1HB   TRP  12          1HB       TRP  12  13.129   2.950  -5.306
   76   2HB   TRP  12          2HB       TRP  12  13.169   3.810  -6.809
   77    HD1  TRP  12           HD1      TRP  12  14.070   4.304  -3.065
   78    HE1  TRP  12           HE1      TRP  12  15.524   6.473  -2.706
   79    HE3  TRP  12           HE3      TRP  12  13.507   6.165  -7.790
   80    HZ2  TRP  12           HZ2      TRP  12  16.231   8.661  -4.410
   81    HZ3  TRP  12           HZ3      TRP  12  14.581   8.318  -8.361
   82    HH2  TRP  12           HH2      TRP  12  15.920   9.546  -6.699
   83    H    TYR  13           H        TYR  13  11.293   1.674  -5.283
   84    HA   TYR  13           HA       TYR  13   8.706   1.219  -6.803
   85   1HB   TYR  13          1HB       TYR  13  11.369  -0.221  -7.459
   86   2HB   TYR  13          2HB       TYR  13   9.832  -0.874  -7.952
   87    HD1  TYR  13           HD1      TYR  13   8.191   0.612  -9.378
   88    HD2  TYR  13           HD2      TYR  13  12.374   1.494  -8.918
   89    HE1  TYR  13           HE1      TYR  13   8.137   1.966 -11.429
   90    HE2  TYR  13           HE2      TYR  13  12.310   2.847 -10.973
   91    HH   TYR  13           HH       TYR  13   9.291   3.247 -12.826
   92    H    ASP  14           H        ASP  14  10.560   0.450  -4.050
   93    HA   ASP  14           HA       ASP  14   9.828  -2.330  -3.583
   94   1HB   ASP  14          1HB       ASP  14  10.397  -0.121  -1.483
   95   2HB   ASP  14          2HB       ASP  14  10.268  -1.826  -1.115
   96    HD2  ASP  14           HD2      ASP  14  13.643  -0.314  -2.604
   97    H    GLU  15           H        GLU  15   7.816  -2.918  -3.797
   98    HA   GLU  15           HA       GLU  15   5.451  -1.257  -2.987
   99   1HB   GLU  15          1HB       GLU  15   4.229  -2.853  -4.379
  100   2HB   GLU  15          2HB       GLU  15   5.687  -2.400  -5.209
  101   1HG   GLU  15          1HG       GLU  15   6.751  -4.634  -4.588
  102   2HG   GLU  15          2HG       GLU  15   5.276  -5.089  -3.741
  103    HE1  GLU  15           HE2      GLU  15   5.467  -5.034  -7.790
  104    H    CYS  16           H        CYS  16   3.470  -2.525  -2.306
  105    HA   CYS  16           HA       CYS  16   3.787  -3.457   0.453
  106   1HB   CYS  16          1HB       CYS  16   1.360  -3.286  -1.490
  107   2HB   CYS  16          2HB       CYS  16   1.140  -3.583   0.188
  108    H    CYS  17           H        CYS  17   2.988  -5.271   1.231
  109    HA   CYS  17           HA       CYS  17   4.010  -7.835   0.420
  110   1HB   CYS  17          1HB       CYS  17   1.691  -7.053   2.301
  111   2HB   CYS  17          2HB       CYS  17   2.049  -8.749   2.061
  112    H    GLU  18           H        GLU  18   2.840  -9.877   0.149
  113    HA   GLU  18           HA       GLU  18   0.703  -9.841  -2.023
  114   1HB   GLU  18          1HB       GLU  18   2.827 -11.179  -2.507
  115   2HB   GLU  18          2HB       GLU  18   2.509 -12.193  -1.104
  116   1HG   GLU  18          1HG       GLU  18   0.310 -12.933  -2.179
  117   2HG   GLU  18          2HG       GLU  18   0.643 -11.898  -3.564
  118    HE1  GLU  18           HE2      GLU  18   2.994 -13.984  -5.008
  119    H    GLY  19           H        GLY  19  -0.662  -9.190  -0.632
  120   1HA   GLY  19          1HA       GLY  19  -2.638 -10.525   0.618
  121   2HA   GLY  19          2HA       GLY  19  -1.453 -10.497   1.947
  122    H    PHE  20           H        PHE  20  -0.652  -7.717   0.532
  123    HA   PHE  20           HA       PHE  20  -3.052  -6.040   1.353
  124   1HB   PHE  20          1HB       PHE  20  -0.275  -4.963   1.975
  125   2HB   PHE  20          2HB       PHE  20  -1.784  -4.244   2.341
  126    HD1  PHE  20           HD2      PHE  20  -3.435  -5.676   4.006
  127    HD2  PHE  20           HD1      PHE  20   0.859  -5.800   3.939
  128    HE1  PHE  20           HE2      PHE  20  -3.415  -6.597   6.278
  129    HE2  PHE  20           HE1      PHE  20   0.862  -6.734   6.201
  130    HZ   PHE  20           HZ       PHE  20  -1.272  -7.117   7.386
  131    H    TYR  21           H        TYR  21  -3.319  -4.511  -0.078
  132    HA   TYR  21           HA       TYR  21  -1.581  -4.382  -2.629
  133   1HB   TYR  21          1HB       TYR  21  -3.411  -3.554  -3.847
  134   2HB   TYR  21          2HB       TYR  21  -4.039  -4.881  -2.946
  135    HD1  TYR  21           HD1      TYR  21  -4.128  -1.191  -3.395
  136    HD2  TYR  21           HD2      TYR  21  -5.858  -4.486  -1.239
  137    HE1  TYR  21           HE1      TYR  21  -6.030   0.221  -2.755
  138    HE2  TYR  21           HE2      TYR  21  -7.789  -3.076  -0.661
  139    HH   TYR  21           HH       TYR  21  -7.963   0.331  -1.672
  140    H    CYS  22           H        CYS  22  -0.637  -2.485  -3.266
  141    HA   CYS  22           HA       CYS  22  -0.144  -0.441  -1.230
  142   1HB   CYS  22          1HB       CYS  22   1.565  -1.253  -2.884
  143   2HB   CYS  22          2HB       CYS  22   0.641  -0.609  -4.237
  144    H    SER  23           H        SER  23  -2.034   0.477  -0.787
  145    HA   SER  23           HA       SER  23  -3.804   1.980  -2.698
  146   1HB   SER  23          1HB       SER  23  -4.556   0.973  -0.505
  147   2HB   SER  23          2HB       SER  23  -3.556   2.213   0.362
  148    HG   SER  23           HG       SER  23  -5.691   2.676  -1.477
  149    H    CYS  24           H        CYS  24  -3.106   3.816  -3.651
  150    HA   CYS  24           HA       CYS  24  -1.072   5.629  -2.225
  151   1HB   CYS  24          1HB       CYS  24  -1.649   5.352  -5.228
  152   2HB   CYS  24          2HB       CYS  24  -0.540   6.519  -4.468
  153    H    ARG  25           H        ARG  25  -2.903   6.218  -1.000
  154    HA   ARG  25           HA       ARG  25  -5.370   7.398  -1.929
  155   1HB   ARG  25          1HB       ARG  25  -3.953   7.686   0.817
  156   2HB   ARG  25          2HB       ARG  25  -5.615   8.154   0.509
  157   1HG   ARG  25          1HG       ARG  25  -6.260   5.793  -0.003
  158   2HG   ARG  25          2HG       ARG  25  -4.586   5.285   0.151
  159   1HD   ARG  25          1HD       ARG  25  -5.670   4.648   2.171
  160   2HD   ARG  25          2HD       ARG  25  -4.540   5.915   2.582
  161   1HH1  ARG  25          2HH2      ARG  25  -4.542   7.746   3.343
  162   2HH1  ARG  25          1HH2      ARG  25  -5.461   9.000   4.317
  163   1HH2  ARG  25          1HH1      ARG  25  -8.531   7.587   3.664
  164   2HH2  ARG  25          2HH1      ARG  25  -7.565   8.914   4.485
  165    H    GLN  26           H        GLN  26  -2.872   9.256  -0.185
  166    HA   GLN  26           HA       GLN  26  -3.714  11.801  -1.728
  167   1HB   GLN  26          1HB       GLN  26  -2.534  11.533   1.104
  168   2HB   GLN  26          2HB       GLN  26  -2.742  13.053   0.245
  169   1HG   GLN  26          1HG       GLN  26  -5.219  12.725   0.133
  170   2HG   GLN  26          2HG       GLN  26  -5.090  11.155   0.905
  171   1HE2  GLN  26          2HE2      GLN  26  -4.838  12.576   4.213
  172   2HE2  GLN  26          1HE2      GLN  26  -4.762  11.073   3.162
  173    HA   PRO  27           HA       PRO  27   0.549  10.436  -3.084
  174   1HB   PRO  27          1HB       PRO  27   0.643  11.632  -5.620
  175   2HB   PRO  27          2HB       PRO  27  -0.230  10.139  -5.250
  176   1HG   PRO  27          1HG       PRO  27  -1.375  12.971  -5.393
  177   2HG   PRO  27          2HG       PRO  27  -2.017  11.493  -6.149
  178   1HD   PRO  27          1HD       PRO  27  -3.029  12.442  -3.776
  179   2HD   PRO  27          2HD       PRO  27  -2.888  10.677  -4.049
  180    HA   PRO  28           HA       PRO  28   2.784  10.567  -3.931
  181   1HB   PRO  28          1HB       PRO  28   5.333  10.892  -2.936
  182   2HB   PRO  28          2HB       PRO  28   4.720  11.865  -4.278
  183   1HG   PRO  28          1HG       PRO  28   4.817  12.650  -1.312
  184   2HG   PRO  28          2HG       PRO  28   5.451  13.570  -2.701
  185   1HD   PRO  28          1HD       PRO  28   2.940  14.072  -1.630
  186   2HD   PRO  28          2HD       PRO  28   3.251  14.252  -3.382
  187    H    LYS  29           H        LYS  29   1.700  11.132  -0.803
  188    HA   LYS  29           HA       LYS  29   3.113   8.869   0.576
  189   1HB   LYS  29          1HB       LYS  29   0.662  10.563   1.418
  190   2HB   LYS  29          2HB       LYS  29   1.380   9.298   2.402
  191   1HG   LYS  29          1HG       LYS  29   3.582  10.512   2.441
  192   2HG   LYS  29          2HG       LYS  29   2.891  11.808   1.464
  193   1HD   LYS  29          1HD       LYS  29   1.165  12.252   3.293
  194   2HD   LYS  29          2HD       LYS  29   1.868  10.952   4.244
  195   1HE   LYS  29          1HE       LYS  29   2.744  12.992   5.155
  196   2HE   LYS  29          2HE       LYS  29   4.089  12.211   4.328
  197   1HZ   LYS  29          1HZ       LYS  29   4.011  14.545   3.840
  198   2HZ   LYS  29          2HZ       LYS  29   3.742  13.713   2.459
  199    H    CYS  30           H        CYS  30   2.707   6.945  -0.024
  200    HA   CYS  30           HA       CYS  30  -0.151   5.811  -0.418
  201   1HB   CYS  30          1HB       CYS  30   2.075   5.453  -2.104
  202   2HB   CYS  30          2HB       CYS  30   2.244   4.148  -1.037
  203    H    ILE  31           H        ILE  31  -0.176   3.697   0.287
  204    HA   ILE  31           HA       ILE  31   1.604   2.738   2.447
  205    HB   ILE  31           HB       ILE  31  -0.231   2.058   4.242
  206   1HG1  ILE  31          1HG1      ILE  31  -1.869   4.402   3.081
  207   2HG1  ILE  31          2HG1      ILE  31  -2.130   2.696   2.659
  208   1HG2  ILE  31          2HG2      ILE  31   1.523   3.725   4.657
  209   2HG2  ILE  31          3HG2      ILE  31   0.442   5.044   4.066
  210   3HG2  ILE  31          1HG2      ILE  31   0.026   4.061   5.507
  211   1HD1  ILE  31          2HD1      ILE  31  -2.470   2.037   5.019
  212   2HD1  ILE  31          3HD1      ILE  31  -2.259   3.725   5.546
  213   3HD1  ILE  31          1HD1      ILE  31  -3.641   3.278   4.504
  214    H    CYS  32           H        CYS  32   0.754   0.566   3.348
  215    HA   CYS  32           HA       CYS  32  -0.386  -1.087   1.156
  216   1HB   CYS  32          1HB       CYS  32   0.915  -1.694   3.777
  217   2HB   CYS  32          2HB       CYS  32   0.510  -2.841   2.599
  218    H    ARG  33           H        ARG  33  -2.026  -1.974   1.460
  219    HA   ARG  33           HA       ARG  33  -4.088  -1.367   3.718
  220   1HB   ARG  33          1HB       ARG  33  -4.010   0.426   1.926
  221   2HB   ARG  33          2HB       ARG  33  -4.191  -0.837   0.674
  222   1HG   ARG  33          1HG       ARG  33  -6.179   0.421   0.895
  223   2HG   ARG  33          2HG       ARG  33  -6.430  -1.266   1.265
  224   1HD   ARG  33          1HD       ARG  33  -7.786  -0.021   2.836
  225   2HD   ARG  33          2HD       ARG  33  -6.449  -0.661   3.789
  226   1HH1  ARG  33          2HH2      ARG  33  -7.889   0.438   5.200
  227   2HH1  ARG  33          1HH2      ARG  33  -7.914   1.952   6.237
  228   1HH2  ARG  33          1HH1      ARG  33  -5.863   3.717   4.110
  229   2HH2  ARG  33          2HH1      ARG  33  -6.845   3.679   5.660
  230    H    ASN  34           H        ASN  34  -5.778  -2.673   4.045
  231    HA   ASN  34           HA       ASN  34  -5.552  -5.513   3.456
  232   1HB   ASN  34          1HB       ASN  34  -8.003  -3.896   4.455
  233   2HB   ASN  34          2HB       ASN  34  -7.977  -5.638   4.383
  234   1HD2  ASN  34          1HD2      ASN  34  -5.868  -6.005   7.311
  235   2HD2  ASN  34          2HD2      ASN  34  -6.264  -6.764   5.688
  236    H    ASN  35           H        ASN  35  -6.185  -6.701   1.838
  237    HA   ASN  35           HA       ASN  35  -7.794  -5.739  -0.514
  238   1HB   ASN  35          1HB       ASN  35  -6.695  -8.532   0.282
  239   2HB   ASN  35          2HB       ASN  35  -7.646  -8.266  -1.155
  240   1HD2  ASN  35          1HD2      ASN  35  -4.852  -7.051  -3.037
  241   2HD2  ASN  35          2HD2      ASN  35  -6.645  -7.437  -2.982
  242    H    ASN  36           H        ASN  36  -8.382  -8.379   1.922
  243    HA   ASN  36           HA       ASN  36 -11.409  -8.050   1.502
  244   1HB   ASN  36          1HB       ASN  36  -9.806 -10.323   2.863
  245   2HB   ASN  36          2HB       ASN  36 -11.550 -10.204   2.853
  246   1HD2  ASN  36          1HD2      ASN  36  -9.801 -11.792  -0.441
  247   2HD2  ASN  36          2HD2      ASN  36  -8.851 -11.254   1.034
  248   1HN   NH2  37          1HN       NH2  37 -12.303  -6.369   2.901
  249   2HN   NH2  37          2HN       NH2  37 -11.853  -6.197   4.611
   
  No H/Q in entry =         249
   
  No H/Q in entry =         249