*HEADER    NEUROTOXIN                              27-OCT-94   1IVA      
*COMPND    OMEGA-AGATOXIN-IVA (NMR, 17 STRUCTURES)                       
*SOURCE    FUNNEL-WEB SPIDER (AGELENOPSIS APERTA)                        
*EXPDTA    NMR                                                           
*AUTHOR    M.D.REILY,K.E.HOLUB                                           
*REVDAT   1   12-OCT-04 1IVA    0   


FOLLOWING ARE CONSTRAINTS USED FOR CALCUATION OF 17 STRUCTURES OF OMEGA-AGA-4A 
(MD REILY and KE HOLUB)
!BIOSYM restraint 1
!
#remote_prochiral_center
1:LEU_40:HD1*   1:LEU_40:HD2*   1:LEU_40:CD1    1:LEU_40:CD2    1:LEU_40:CG    
!
#chiral
1:LYSN_1:CA        S
1:LYS_2:CA         S
1:LYS_3:CA         S
1:CYS_4:CA         R
1:ILE_5:CA         S
1:ILE_5:CB         S
1:ALA_6:CA         S
1:LYS_7:CA         S
1:ASP_8:CA         S
1:TYR_9:CA         S
1:ARG_11:CA        S
1:CYS_12:CA        R
1:LYS_13:CA        S
1:TRP_14:CA        S
1:THR_17:CA        S
1:THR_17:CB        R
1:CYS_19:CA        R
1:CYS_20:CA        R
1:ARG_21:CA        S
1:ARG_23:CA        S
1:CYS_25:CA        R
1:ILE_26:CA        S
1:ILE_26:CB        S
1:CYS_27:CA        R
1:SER_28:CA        S
1:ILE_29:CA        S
1:ILE_29:CB        S
1:MET_30:CA        S
1:THR_32:CA        S
1:THR_32:CB        R
1:ASN_33:CA        S
1:CYS_34:CA        R
1:GLU_35:CA        S
1:CYS_36:CA        R
1:LYS_37:CA        S
1:ARG_39:CA        S
1:LEU_40:CA        S
1:ILE_41:CA        S
1:ILE_41:CB        S
1:MET_42:CA        S
1:GLU_43:CA        S
1:LEU_45:CA        S
1:LEU_47:CA        S
1:ALA_48:CA        S
!
#NOE_distance
1:CYS_36:HN        1:GLU_35:HA         1.800  2.250  2.250 40.00 40.00 1000.000  0.00
1:GLY_24:HN        1:ARG_23:HA         1.800  2.220  2.220 40.00 40.00 1000.000  0.00
1:CYS_12:HN        1:ARG_11:HA         1.800  2.250  2.250 40.00 40.00 1000.000  0.00
1:ASP_8:HN         1:LYS_7:HA          1.800  2.200  2.200 40.00 40.00 1000.000  0.00
1:CYS_4:HN         1:LYS_3:HA          1.800  2.220  2.220 40.00 40.00 1000.000  0.00
1:LYS_13:HN        1:CYS_12:HA         1.800  2.340  2.340 40.00 40.00 1000.000  0.00
1:LYS_37:HN        1:CYS_36:HA         1.800  2.330  2.330 40.00 40.00 1000.000  0.00
1:CYS_27:HN        1:ILE_26:HA         1.800  2.360  2.360 40.00 40.00 1000.000  0.00
1:GLY_15:HN        1:TRP_14:HA         1.800  2.320  2.320 40.00 40.00 1000.000  0.00
1:SER_28:HN        1:CYS_27:HB*        1.800  2.340  2.340 40.00 40.00 1000.000  0.00
1:ILE_5:HN         1:CYS_4:HA          1.800  2.400  2.400 40.00 40.00 1000.000  0.00
1:TRP_14:HN        1:LYS_13:HA         1.800  2.400  2.400 40.00 40.00 1000.000  0.00
1:LEU_40:HN        1:ARG_39:HA         1.800  2.410  2.410 40.00 40.00 1000.000  0.00
1:ASN_33:HN        1:THR_32:HB         1.800  2.410  2.410 40.00 40.00 1000.000  0.00
1:ARG_21:HN        1:CYS_20:HB2        1.800  2.460  2.460 40.00 40.00 1000.000  0.00
1:THR_17:HN        1:GLY_16:HA1        1.800  2.490  2.490 40.00 40.00 1000.000  0.00
1:CYS_27:HA        1:CYS_34:HA         1.800  2.500  2.500 40.00 40.00 1000.000  0.00
1:SER_28:HN        1:CYS_27:HA         1.800  2.660  2.660 40.00 40.00 1000.000  0.00
1:CYS_34:HN        1:ASN_33:HA         1.800  2.600  2.600 40.00 40.00 1000.000  0.00
1:CYS_25:HN        1:GLY_24:HA2        1.800  2.660  2.660 40.00 40.00 1000.000  0.00
1:GLY_24:HN        1:ARG_23:HG*        1.800  2.680  2.680 40.00 40.00 1000.000  0.00
1:ILE_41:HN        1:LEU_40:HA         1.800  2.680  2.680 40.00 40.00 1000.000  0.00
1:MET_42:HN        1:ILE_41:HA         1.800  2.610  2.610 40.00 40.00 1000.000  0.00
1:GLY_10:HN        1:TYR_9:HA          1.800  2.680  2.680 40.00 40.00 1000.000  0.00
1:LYS_7:HN         1:ILE_5:HG2*        1.800  2.640  2.640 40.00 40.00 1000.000  0.00
1:THR_32:HN        1:GLY_31:HN         1.800  2.660  2.660 40.00 40.00 1000.000  0.00
1:CYS_12:HN        1:ARG_11:HN         1.800  2.630  2.630 40.00 40.00 1000.000  0.00
1:ILE_5:HB         1:CYS_19:HA         1.800  2.670  2.670 40.00 40.00 1000.000  0.00
1:ILE_29:HN        1:SER_28:HA         1.800  2.720  2.720 40.00 40.00 1000.000  0.00
1:ILE_29:HN        1:SER_28:HB1        1.800  2.740  2.740 40.00 40.00 1000.000  0.00
1:CYS_36:HN        1:GLU_35:HB*        1.800  2.700  2.700 40.00 40.00 1000.000  0.00
1:CYS_27:HN        1:ILE_26:HG2*       1.800  2.790  2.790 40.00 40.00 1000.000  0.00
1:ILE_5:HN         1:CYS_20:HB1        1.800  2.770  2.770 40.00 40.00 1000.000  0.00
1:GLY_44:HN        1:GLU_43:HA         1.800  2.750  2.750 40.00 40.00 1000.000  0.00
1:CYS_34:HN        1:ASN_33:HN         1.800  2.740  2.740 40.00 40.00 1000.000  0.00
1:CYS_12:HN        1:GLU_35:HA         1.800  2.800  2.800 40.00 40.00 1000.000  0.00
1:CYS_19:HN        1:PRO_18:HA         1.800  2.840  2.840 40.00 40.00 1000.000  0.00
1:ILE_29:HN        1:SER_28:HB2        1.800  2.890  2.890 40.00 40.00 1000.000  0.00
1:CYS_25:HN        1:GLY_24:HA1        1.800  2.880  2.880 40.00 40.00 1000.000  0.00
1:MET_30:HN        1:ILE_29:HA         1.800  2.820  2.820 40.00 40.00 1000.000  0.00
1:LEU_45:HN        1:GLY_44:HA*        1.800  2.830  2.830 40.00 40.00 1000.000  0.00
1:ILE_41:HN        1:LEU_40:HG         1.800  2.850  2.850 40.00 40.00 1000.000  0.00
1:GLU_35:HB*       1:TYR_9:HA          1.800  2.830  2.830 40.00 40.00 1000.000  0.00
1:TYR_9:HD*        1:GLU_35:HB*        1.800  5.000  5.000 40.00 40.00 1000.000  0.00
1:ILE_26:HN        1:CYS_25:HA         1.800  2.940  2.940 40.00 40.00 1000.000  0.00
1:ASN_33:HN        1:THR_32:HA         1.800  2.980  2.980 40.00 40.00 1000.000  0.00
1:ALA_6:HN         1:ILE_5:HG2*        1.800  2.960  2.960 40.00 40.00 1000.000  0.00
1:GLY_31:HN        1:SER_28:HN         1.800  2.940  2.940 40.00 40.00 1000.000  0.00
1:CYS_27:HB*       1:CYS_34:HA         1.800  2.990  2.990 40.00 40.00 1000.000  0.00
1:THR_17:HG2*      1:CYS_4:HA          1.800  2.970  2.970 40.00 40.00 1000.000  0.00
1:CYS_25:HA        1:CYS_36:HA         1.800  2.990  2.990 40.00 40.00 1000.000  0.00
1:ASN_33:HN        1:ASN_33:HA         1.800  3.000  3.000 40.00 40.00 1000.000  0.00
1:ASN_33:HN        1:ASN_33:HB1        1.800  3.080  3.080 40.00 40.00 1000.000  0.00
1:ASP_8:HN         1:ASP_8:HBR         1.800  3.080  3.080 40.00 40.00 1000.000  0.00
1:GLU_43:HN        1:GLU_43:HB1        1.800  3.000  3.000 40.00 40.00 1000.000  0.00
1:GLU_43:HN        1:GLU_43:HB2        1.800  3.000  3.000 40.00 40.00 1000.000  0.00
1:TRP_14:HN        1:LYS_13:HB*        1.800  3.070  3.070 40.00 40.00 1000.000  0.00
1:LEU_47:HN        1:LEU_47:HA         1.800  3.010  3.010 40.00 40.00 1000.000  0.00
1:MET_30:HN        1:MET_30:HA         1.800  3.030  3.030 40.00 40.00 1000.000  0.00
1:ARG_23:HN        1:ARG_23:HA         1.800  3.010  3.010 40.00 40.00 1000.000  0.00
1:ARG_11:HN        1:GLY_10:HA1        1.800  3.070  3.070 40.00 40.00 1000.000  0.00
1:GLY_16:HN        1:GLY_15:HA1        1.800  3.050  3.050 40.00 40.00 1000.000  0.00
1:ILE_41:HN        1:LEU_40:HB*        1.800  3.020  3.020 40.00 40.00 1000.000  0.00
1:ALA_48:HN        1:ALA_48:HB*        1.800  3.060  3.060 40.00 40.00 1000.000  0.00
1:LYS_7:HN         1:ALA_6:HA          1.800  3.000  3.000 40.00 40.00 1000.000  0.00
1:GLY_16:HN        1:GLY_15:HN         1.800  3.010  3.010 40.00 40.00 1000.000  0.00
1:TYR_9:HN         1:CYS_36:HN         1.800  3.060  3.060 40.00 40.00 1000.000  0.00
1:CYS_20:HN        1:ILE_5:HN          1.800  3.090  3.090 40.00 40.00 1000.000  0.00
1:GLU_35:HN        1:CYS_34:HB1        1.800  3.010  3.010 40.00 40.00 1000.000  0.00
1:CYS_34:HB1       1:CYS_34:HA         1.800  3.030  3.030 40.00 40.00 1000.000  0.00
1:CYS_25:HBR       1:CYS_25:HA         1.800  3.080  3.080 40.00 40.00 1000.000  0.00
1:GLU_43:HG1       1:GLU_43:HA         1.800  3.060  3.060 40.00 40.00 1000.000  0.00
1:LEU_40:HD1*      1:LEU_40:HA         1.800  3.070  3.070 40.00 40.00 1000.000  0.00
1:ILE_5:HG11       1:ILE_5:HA          1.800  3.000  3.000 40.00 40.00 1000.000  0.00
1:TYR_9:HD*        1:ASP_8:HBR         1.800  3.060  3.060 40.00 40.00 1000.000  0.00
1:TYR_9:HE*        1:GLU_35:HB*        1.800  5.000  5.000 40.00 40.00 1000.000  0.00
1:CYS_4:HN         1:CYS_4:HA          1.800  3.150  3.150 40.00 40.00 1000.000  0.00
1:TRP_14:HN        1:TRP_14:HA         1.800  3.110  3.110 40.00 40.00 1000.000  0.00
1:SER_28:HN        1:SER_28:HB2        1.800  3.110  3.110 40.00 40.00 1000.000  0.00
1:ILE_29:HN        1:ILE_29:HG12       1.800  3.100  3.100 40.00 40.00 1000.000  0.00
1:ILE_29:HN        1:ILE_29:HD1*       1.800  3.150  3.150 40.00 40.00 1000.000  0.00
1:ILE_5:HN         1:ILE_5:HG11        1.800  3.100  3.100 40.00 40.00 1000.000  0.00
1:CYS_4:HN         1:CYS_4:HB2         1.800  3.100  3.100 40.00 40.00 1000.000  0.00
1:MET_30:HN        1:ILE_29:HN         1.800  3.100  3.100 40.00 40.00 1000.000  0.00
1:ILE_5:HD1*       1:CYS_12:HA         1.800  3.180  3.180 40.00 40.00 1000.000  0.00
1:CYS_4:HB2        1:CYS_20:HA         1.800  3.140  3.140 40.00 40.00 1000.000  0.00
1:ILE_5:HD1*       1:THR_17:HB         1.800  3.180  3.180 40.00 40.00 1000.000  0.00
1:CYS_34:HN        1:CYS_34:HA         1.800  3.200  3.200 40.00 40.00 1000.000  0.00
1:ASP_8:HN         1:ASP_8:HA          1.800  3.270  3.270 40.00 40.00 1000.000  0.00
1:LYS_37:HN        1:LYS_37:HA         1.800  3.210  3.210 40.00 40.00 1000.000  0.00
1:CYS_34:HN        1:CYS_34:HB1        1.800  3.260  3.260 40.00 40.00 1000.000  0.00
1:GLU_35:HN        1:GLU_35:HG*        1.800  3.250  3.250 40.00 40.00 1000.000  0.00
1:ILE_5:HN         1:ILE_5:HG2*        1.800  3.290  3.290 40.00 40.00 1000.000  0.00
1:LEU_47:HN        1:LEU_47:HG         1.800  3.240  3.240 40.00 40.00 1000.000  0.00
1:ARG_11:HD1       1:ARG_11:HA         1.800  3.250  3.250 40.00 40.00 1000.000  0.00
1:CYS_27:HB*       1:GLY_31:HA2        1.800  3.270  3.270 40.00 40.00 1000.000  0.00
1:LYS_7:HD*        1:GLY_10:HA2        1.800  3.250  3.250 40.00 40.00 1000.000  0.00
1:PRO_38:HB*       1:PRO_38:HD1        1.800  3.280  3.280 40.00 40.00 1000.000  0.00
1:TYR_9:HD*        1:ASP_8:HBS         1.800  3.260  3.260 40.00 40.00 1000.000  0.00
1:GLY_15:HN        1:TRP_14:HB*        1.800  3.300  3.300 40.00 40.00 1000.000  0.00
1:GLU_43:HN        1:GLU_43:HG1        1.800  3.300  3.300 40.00 40.00 1000.000  0.00
1:GLY_10:HN        1:CYS_36:HN         1.800  3.360  3.360 40.00 40.00 1000.000  0.00
1:GLU_43:HG2       1:GLU_43:HA         1.800  3.320  3.320 40.00 40.00 1000.000  0.00
1:ILE_26:HB        1:ILE_26:HA         1.800  3.300  3.300 40.00 40.00 1000.000  0.00
1:ILE_26:HG2*      1:LYS_37:HE*        1.800  3.380  3.380 40.00 40.00 1000.000  0.00
1:TYR_9:HD*        1:LYS_37:HG*        1.800  3.340  3.340 40.00 40.00 1000.000  0.00
1:TYR_9:HE*        1:LYS_37:HG*        1.800  3.370  3.370 40.00 40.00 1000.000  0.00
1:GLY_44:HN        1:GLU_43:HB1        1.800  3.480  3.480 40.00 40.00 1000.000  0.00
1:LYS_7:HN         1:ALA_6:HN          1.800  3.420  3.420 40.00 40.00 1000.000  0.00
1:THR_17:HB        1:CYS_4:HA          1.800  3.400  3.400 40.00 40.00 1000.000  0.00
1:LYS_7:HB*        1:GLY_10:HA2        1.800  3.420  3.420 40.00 40.00 1000.000  0.00
1:ARG_21:HG*       1:CYS_20:HB2        1.800  3.460  3.460 40.00 40.00 1000.000  0.00
1:TYR_9:HE*        1:ASP_8:HBR         1.800  3.400  3.400 40.00 40.00 1000.000  0.00
1:ALA_48:HN        1:ALA_48:HA         1.800  3.530  3.530 40.00 40.00 1000.000  0.00
1:LEU_45:HN        1:LEU_45:HD2*       1.800  3.560  3.560 40.00 40.00 1000.000  0.00
1:ILE_26:HN        1:ILE_26:HG11       1.800  3.500  3.500 40.00 40.00 1000.000  0.00
1:CYS_34:HB2       1:CYS_27:HA         1.800  3.540  3.540 40.00 40.00 1000.000  0.00
1:ASN_33:HB1       1:SER_28:HB1        1.800  3.570  3.570 40.00 40.00 1000.000  0.00
1:CYS_27:HB*       1:GLY_31:HA1        1.800  3.570  3.570 40.00 40.00 1000.000  0.00
1:TRP_14:HD1       1:CYS_25:HBR        1.800  3.520  3.520 40.00 40.00 1000.000  0.00
1:ASN_33:HN        1:ASN_33:HB2        1.800  3.630  3.630 40.00 40.00 1000.000  0.00
1:ILE_5:HG2*       1:CYS_19:HA         1.800  3.630  3.630 40.00 40.00 1000.000  0.00
1:PRO_18:HD*       1:PRO_18:HA         1.800  3.630  3.630 40.00 40.00 1000.000  0.00
1:GLU_43:HB1       1:LEU_40:HA         1.800  3.610  3.610 40.00 40.00 1000.000  0.00
1:ILE_5:HG11       1:THR_17:HB         1.800  3.600  3.600 40.00 40.00 1000.000  0.00
1:LYS_13:HD*       1:GLY_16:HA1        1.800  3.640  3.640 40.00 40.00 1000.000  0.00
1:CYS_4:HB1        1:CYS_20:HB2        1.800  3.680  3.680 40.00 40.00 1000.000  0.00
1:TRP_14:HD1       1:CYS_25:HBS        1.800  3.670  3.670 40.00 40.00 1000.000  0.00
1:GLY_44:HN        1:GLU_43:HB2        1.800  3.710  3.710 40.00 40.00 1000.000  0.00
1:MET_30:HG1       1:MET_30:HA         1.800  3.740  3.740 40.00 40.00 1000.000  0.00
1:LEU_40:HD2*      1:LEU_40:HA         1.800  3.780  3.780 40.00 40.00 1000.000  0.00
1:THR_17:HG2*      1:CYS_4:HB2         1.800  3.730  3.730 40.00 40.00 1000.000  0.00
1:PRO_38:HB*       1:PRO_38:HD2        1.800  3.700  3.700 40.00 40.00 1000.000  0.00
1:TYR_9:HE*        1:ASP_8:HBS         1.800  3.710  3.710 40.00 40.00 1000.000  0.00
1:MET_30:HN        1:ILE_29:HG2*       1.800  3.850  3.850 40.00 40.00 1000.000  0.00
1:ILE_5:HG11       1:CYS_19:HA         1.800  3.850  3.850 40.00 40.00 1000.000  0.00
1:ASN_33:HB2       1:SER_28:HB1        1.800  3.840  3.840 40.00 40.00 1000.000  0.00
1:ASN_33:HB1       1:SER_28:HB2        1.800  3.840  3.840 40.00 40.00 1000.000  0.00
1:THR_17:HN        1:THR_17:HG2*       1.800  3.950  3.950 40.00 40.00 1000.000  0.00
1:LYS_7:HN         1:ASP_8:HN          1.800  3.970  3.970 40.00 40.00 1000.000  0.00
1:ILE_5:HD1*       1:CYS_19:HA         1.800  3.950  3.950 40.00 40.00 1000.000  0.00
1:THR_17:HG2*      1:CYS_4:HB1         1.800  3.940  3.940 40.00 40.00 1000.000  0.00
1:CYS_34:HB2       1:LYS_13:HA         1.800  5.000  5.000 40.00 40.00 1000.000  0.00
1:CYS_4:HB2        1:CYS_20:HB2        1.800  5.000  5.000 40.00 40.00 1000.000  0.00
1:ILE_5:HG12       1:CYS_19:HA         1.800  4.150  4.150 40.00 40.00 1000.000  0.00
1:TYR_9:HA         1:GLU_35:HA         1.800  4.260  4.260 40.00 40.00 1000.000  0.00
1:ARG_23:HB*       1:CYS_19:HA         1.800  4.200  4.200 40.00 40.00 1000.000  0.00
1:ARG_23:HB*       1:CYS_36:HA         1.800  4.280  4.280 40.00 40.00 1000.000  0.00
1:CYS_4:HB1        1:PRO_18:HD*        1.800  4.270  4.270 40.00 40.00 1000.000  0.00
1:ALA_6:HB*        1:CYS_20:HB2        1.800  4.200  4.200 40.00 40.00 1000.000  0.00
1:THR_17:HA        1:CYS_4:HA          1.800  4.350  4.350 40.00 40.00 1000.000  0.00
1:ILE_26:HD1*      1:LYS_37:HE*        1.800  4.310  4.310 40.00 40.00 1000.000  0.00
1:CYS_19:HB2       1:ARG_23:HA         1.800  4.500  4.500 40.00 40.00 1000.000  0.00
1:GLU_43:HB2       1:LEU_40:HA         1.800  4.550  4.550 40.00 40.00 1000.000  0.00
1:THR_32:HG2*      1:MET_30:HG1        1.800  4.670  4.670 40.00 40.00 1000.000  0.00
1:THR_32:HG2*      1:MET_30:HG2        1.800  4.740  4.740 40.00 40.00 1000.000  0.00
1:CYS_4:HB1        1:CYS_20:HA        -1.000  2.500  2.500 40.00 40.00 1000.000  0.00
1:GLU_35:HA        1:ARG_11:HA        -1.000  2.500  2.500 40.00 40.00 1000.000  0.00
1:ARG_21:HA        1:GLY_22:HN        -1.000  2.500  2.500 40.00 40.00 1000.000  0.00
1:ASP_8:HA         1:TYR_9:HN         -1.000  2.500  2.500 40.00 40.00 1000.000  0.00
1:GLY_16:HA2       1:THR_17:HN        -1.000  2.500  2.500 40.00 40.00 1000.000  0.00
1:ILE_41:HN        1:MET_42:HN        -1.000  2.500  2.500 40.00 40.00 1000.000  0.00
1:MET_30:HN        1:GLY_31:HN        -1.000  2.500  2.500 40.00 40.00 1000.000  0.00
1:TYR_9:HN         1:GLY_10:HN        -1.000  2.500  2.500 40.00 40.00 1000.000  0.00
1:LEU_47:HN        1:ALA_48:HN        -1.000  2.500  2.500 40.00 40.00 1000.000  0.00
1:CYS_27:HA        1:CYS_34:HB1       -1.000  3.000  3.000 40.00 40.00 1000.000  0.00
1:GLY_10:HA2       1:ARG_11:HN        -1.000  3.000  3.000 40.00 40.00 1000.000  0.00
1:ALA_6:HA         1:CYS_20:HB1       -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:ALA_6:HB*        1:CYS_20:HB1       -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:ARG_21:HG*       1:CYS_20:HB1       -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:CYS_25:HBS       1:CYS_36:HA        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:CYS_34:HB1       1:LYS_13:HA        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:CYS_4:HA         1:PRO_18:HG1       -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:CYS_4:HA         1:PRO_18:HG2       -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:CYS_4:HB1        1:CYS_20:HB1       -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:ILE_26:HB        1:LYS_37:HE*       -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:ILE_26:HG2*      1:CYS_27:HA        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:ILE_5:HD1*       1:CYS_12:HB1       -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:ILE_5:HD1*       1:CYS_12:HB2       -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:ILE_5:HG2*       1:GLY_10:HA1       -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:ARG_11:HB*       1:CYS_12:HN        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:LYS_7:HG*        1:GLY_10:HA1       -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:LYS_7:HG*        1:GLY_10:HA2       -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:CYS_12:HB1       1:LYS_13:HN        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:CYS_12:HB2       1:LYS_13:HN        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:CYS_4:HB1        1:ILE_5:HN         -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:CYS_4:HB2        1:ILE_5:HN         -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:LYS_13:HG*       1:TRP_14:HN        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:LYS_13:HD*       1:TRP_14:HN        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:ILE_26:HB        1:CYS_27:HN        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:PRO_18:HB*       1:CYS_19:HN        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:PRO_18:HG2       1:CYS_19:HN        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:CYS_34:HA        1:GLU_35:HN        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:CYS_19:HB1       1:CYS_20:HN        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:CYS_19:HB2       1:CYS_20:HN        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:ASN_33:HB2       1:CYS_34:HN        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:MET_42:HA        1:GLU_43:HN        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:MET_30:HA        1:GLY_31:HN        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:ARG_39:HB1       1:LEU_40:HN        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:PRO_38:HB*       1:ARG_39:HN        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:PRO_38:HD1       1:LYS_37:HA        -1.000  3.560  3.560 40.00 40.00 1000.000  0.00
1:PRO_38:HD2       1:LYS_37:HA        -1.000  3.560  3.560 40.00 40.00 1000.000  0.00
1:CYS_27:HN        1:SER_28:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:ARG_21:HN        1:GLY_22:HN        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:GLY_24:HN        1:CYS_25:HN        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:MET_42:HN        1:GLU_43:HN        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:LEU_45:HN        1:GLY_46:HN        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:GLY_46:HN        1:LEU_47:HN        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:GLY_44:HN        1:LEU_45:HN        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:LYS_3:HN         1:CYS_4:HN         -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:THR_32:HN        1:ASN_33:HN        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:GLU_43:HN        1:GLY_44:HN        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:ARG_39:HA        1:ILE_41:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:CYS_12:HA        1:ILE_5:HG2*       -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:CYS_25:HBR       1:CYS_36:HA        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:CYS_27:HA        1:GLU_35:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:CYS_27:HB*       1:GLY_31:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:CYS_34:HB1       1:CYS_12:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:CYS_34:HB2       1:CYS_12:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:CYS_36:HBS       1:GLY_10:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:CYS_36:HBR       1:GLY_10:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:CYS_4:HA         1:CYS_20:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:CYS_4:HB1        1:CYS_20:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:CYS_4:HB2        1:CYS_20:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:CYS_4:HB2        1:CYS_20:HB1       -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:CYS_4:HB2        1:PRO_18:HD*       -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:GLY_10:HA1       1:CYS_36:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:GLY_46:HA*       1:ALA_48:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:ILE_26:HD1*      1:LYS_37:HD*       -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:ILE_5:HG2*       1:GLY_10:HA2       -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:LEU_40:HA        1:GLY_44:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:LYS_13:HB*       1:GLY_16:HA1       -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:LYS_13:HB*       1:GLY_16:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:LYS_13:HD*       1:GLY_16:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:LYS_13:HG*       1:GLY_16:HA1       -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:LYS_13:HG*       1:GLY_16:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:THR_17:HB        1:ILE_5:HN         -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:THR_17:HB        1:ILE_5:HG12       -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:TYR_9:HA         1:GLU_35:HG*       -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:TYR_9:HA         1:CYS_36:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:TYR_9:HBR        1:CYS_36:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:TYR_9:HBS        1:CYS_36:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:TYR_9:HD*        1:LYS_37:HB*       -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:TYR_9:HD*        1:PRO_38:HG*       -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:TYR_9:HE*        1:LYS_37:HB*       -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:TYR_9:HE*        1:PRO_38:HA        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:TYR_9:HE*        1:PRO_38:HG*       -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:TYR_9:HE*        1:PRO_38:HD2       -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:TYR_9:HD*        1:PRO_38:HD2       -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:MET_42:HA        1:LEU_45:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:ASP_8:HA         1:GLY_10:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:ILE_29:HA        1:GLY_31:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:LYS_7:HB*        1:GLY_10:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:LYS_7:HG*        1:GLY_10:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:ALA_6:HB*        1:CYS_20:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:THR_17:HG2*      1:CYS_4:HN         -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:LYS_37:HB*       1:TYR_9:HN         -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:CYS_27:HB*       1:THR_32:HA        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:CYS_27:HB*       1:CYS_34:HB2       -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:CYS_25:HBS       1:CYS_12:HA        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:ILE_5:HA         1:THR_17:HG2*      -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:THR_17:HG2*      1:PRO_18:HA        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:ILE_26:HD1*      1:GLY_24:HA1       -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:ILE_26:HD1*      1:GLY_24:HA2       -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:ARG_23:HG*       1:CYS_19:HB1       -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:ARG_23:HG*       1:CYS_19:HB2       -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:ARG_23:HD*       1:CYS_19:HB1       -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:ARG_23:HD*       1:CYS_19:HB2       -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:THR_32:HG2*      1:MET_30:HB1       -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:THR_32:HG2*      1:MET_30:HB2       -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:CYS_12:HB1       1:CYS_25:HA        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:CYS_12:HB2       1:CYS_25:HA        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:CYS_19:HA        1:ILE_5:HN         -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:CYS_19:HA        1:ILE_5:HA         -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:ARG_11:HD1       1:GLU_35:HA        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:ARG_11:HD2       1:GLU_35:HA        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:CYS_12:HB2       1:CYS_36:HA        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:TYR_9:HA         1:PRO_38:HA        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:THR_17:HG2*      1:CYS_19:HA        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:ASN_33:HB2       1:SER_28:HB2       -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:CYS_34:HA        1:SER_28:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:LYS_37:HA        1:GLY_10:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:ARG_11:HA        1:CYS_36:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:CYS_34:HN        1:CYS_12:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:CYS_36:HN        1:CYS_12:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:LYS_13:HN        1:GLY_16:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:LYS_13:HN        1:THR_17:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:MET_30:HN        1:THR_32:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:TRP_14:HN        1:GLY_16:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:ILE_26:HN        1:GLU_35:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:GLU_35:HN	   1:ILE_26:O	      -1.000  2.350  2.350 40.00 40.00 1000.000	 0.00
1:CYS_36:HN	   1:GLY_10:O	      -1.000  2.350  2.350 40.00 40.00 1000.000	 0.00
!
#NMR_dihedral
1:ILE_26:C         1:CYS_27:N         1:CYS_27:CA        1:CYS_27:C         -175.000 -75.000 40.00 40.00 1000.000
1:ARG_11:C         1:CYS_12:N         1:CYS_12:CA        1:CYS_12:C         -175.000 -75.000 40.00 40.00 1000.000
1:LYS_13:C         1:TRP_14:N         1:TRP_14:CA        1:TRP_14:C         -100.000 -10.000 40.00 40.00 1000.000
1:LYS_7:C          1:ASP_8:N          1:ASP_8:CA         1:ASP_8:C          -100.000 -10.000 40.00 40.00 1000.000
1:GLY_22:C         1:ARG_23:N         1:ARG_23:CA        1:ARG_23:C         -175.000 -75.000 40.00 40.00 1000.000
1:LEU_40:C         1:ILE_41:N         1:ILE_41:CA        1:ILE_41:C         -175.000 -75.000 40.00 40.00 1000.000
1:ARG_39:C         1:LEU_40:N         1:LEU_40:CA        1:LEU_40:C         -100.000 -10.000 40.00 40.00 1000.000
1:CYS_4:N          1:CYS_4:CA         1:CYS_4:CB         1:CYS_4:SG         40.000 80.000 40.00 40.00 1000.000
1:CYS_12:N         1:CYS_12:CA        1:CYS_12:CB        1:CYS_12:SG        40.000 80.000 40.00 40.00 1000.000
1:CYS_25:N         1:CYS_25:CA        1:CYS_25:CB        1:CYS_25:SG        160.000 -160.000 40.00 40.00 1000.000
1:CYS_36:N         1:CYS_36:CA        1:CYS_36:CB        1:CYS_36:SG        -80.000 -40.000 40.00 40.00 1000.000


  Entry H atom name         Submitted Coord H atom name

  Start of MODEL    1
    1   1H    LYS   1          3H        LYS   1  -7.886  -4.450  -4.450
    2   2H    LYS   1          1H        LYS   1  -8.413  -3.872  -3.872
    3   3H    LYS   1          2H        LYS   1  -7.061  -4.819  -4.819
    4    HA   LYS   1           HA       LYS   1  -8.312  -6.720  -6.720
    5   1HB   LYS   1          1HB       LYS   1  -7.917  -6.210  -6.210
    6   2HB   LYS   1          2HB       LYS   1  -9.512  -5.476  -5.476
    7   1HG   LYS   1          1HG       LYS   1 -10.486  -7.780  -7.780
    8   2HG   LYS   1          2HG       LYS   1  -8.851  -8.412  -8.412
    9   1HD   LYS   1          1HD       LYS   1  -9.839  -9.085  -9.085
   10   2HD   LYS   1          2HD       LYS   1  -8.740  -7.787  -7.787
   11   1HE   LYS   1          1HE       LYS   1 -10.727  -6.170  -6.170
   12   2HE   LYS   1          2HE       LYS   1 -11.806  -7.482  -7.482
   13   1HZ   LYS   1          1HZ       LYS   1 -10.141  -7.486  -7.486
   14   2HZ   LYS   1          2HZ       LYS   1 -11.152  -8.687  -8.687
   15    H    LYS   2           H        LYS   2 -10.043  -7.412  -7.412
   16    HA   LYS   2           HA       LYS   2 -12.008  -7.505  -7.505
   17   1HB   LYS   2          1HB       LYS   2 -14.079  -7.427  -7.427
   18   2HB   LYS   2          2HB       LYS   2 -12.815  -8.281  -8.281
   19   1HG   LYS   2          1HG       LYS   2 -12.534  -6.337  -6.337
   20   2HG   LYS   2          2HG       LYS   2 -13.795  -5.447  -5.447
   21   1HD   LYS   2          1HD       LYS   2 -15.450  -7.287  -7.287
   22   2HD   LYS   2          2HD       LYS   2 -14.175  -8.165  -8.165
   23   1HE   LYS   2          1HE       LYS   2 -13.906  -6.187  -6.187
   24   2HE   LYS   2          2HE       LYS   2 -15.209  -5.341  -5.341
   25   1HZ   LYS   2          1HZ       LYS   2 -15.984  -6.500  -6.500
   26   2HZ   LYS   2          2HZ       LYS   2 -15.454  -7.944  -7.944
   27    H    LYS   3           H        LYS   3 -11.721  -6.232  -6.232
   28    HA   LYS   3           HA       LYS   3 -12.041  -4.556  -4.556
   29   1HB   LYS   3          1HB       LYS   3 -14.468  -4.709  -4.709
   30   2HB   LYS   3          2HB       LYS   3 -14.274  -3.361  -3.361
   31   1HG   LYS   3          1HG       LYS   3 -13.525  -1.894  -1.894
   32   2HG   LYS   3          2HG       LYS   3 -13.713  -3.261  -3.261
   33   1HD   LYS   3          1HD       LYS   3 -16.169  -3.396  -3.396
   34   2HD   LYS   3          2HD       LYS   3 -16.009  -2.024  -2.024
   35   1HE   LYS   3          1HE       LYS   3 -15.441  -1.929  -1.929
   36   2HE   LYS   3          2HE       LYS   3 -16.977  -1.494  -1.494
   37   1HZ   LYS   3          1HZ       LYS   3 -15.883   0.270   0.270
   38   2HZ   LYS   3          2HZ       LYS   3 -15.674   0.445   0.445
   39    H    CYS   4           H        CYS   4 -10.065  -3.791  -3.791
   40    HA   CYS   4           HA       CYS   4  -8.201  -2.531  -2.531
   41   1HB   CYS   4          1HB       CYS   4  -8.396  -0.171  -0.171
   42   2HB   CYS   4          2HB       CYS   4  -9.328  -0.907  -0.907
   43    H    ILE   5           H        ILE   5  -7.068  -0.897  -0.897
   44    HA   ILE   5           HA       ILE   5  -7.031  -2.012  -2.012
   45    HB   ILE   5           HB       ILE   5  -5.133  -0.348  -0.348
   46   1HG1  ILE   5          1HG1      ILE   5  -5.281  -2.784  -2.784
   47   2HG1  ILE   5          2HG1      ILE   5  -3.683  -2.239  -2.239
   48   1HG2  ILE   5          1HG2      ILE   5  -4.535  -1.069  -1.069
   49   2HG2  ILE   5          2HG2      ILE   5  -3.332  -0.541  -0.541
   50   3HG2  ILE   5          3HG2      ILE   5  -4.648   0.543   0.543
   51   1HD1  ILE   5          3HD1      ILE   5  -5.543  -3.894  -3.894
   52   2HD1  ILE   5          1HD1      ILE   5  -4.133  -4.488  -4.488
   53   3HD1  ILE   5          2HD1      ILE   5  -3.901  -3.350  -3.350
   54    H    ALA   6           H        ALA   6  -6.791   1.322   1.322
   55    HA   ALA   6           HA       ALA   6  -7.521   3.379   3.379
   56   1HB   ALA   6          2HB       ALA   6  -9.806   2.429   2.429
   57   2HB   ALA   6          3HB       ALA   6  -9.548   2.027   2.027
   58   3HB   ALA   6          1HB       ALA   6  -9.538   3.723   3.723
   59    H    LYS   7           H        LYS   7  -5.232   3.140   3.140
   60    HA   LYS   7           HA       LYS   7  -4.879   4.707   4.707
   61   1HB   LYS   7          1HB       LYS   7  -3.431   3.010   3.010
   62   2HB   LYS   7          2HB       LYS   7  -5.172   2.981   2.981
   63   1HG   LYS   7          1HG       LYS   7  -5.345   0.960   0.960
   64   2HG   LYS   7          2HG       LYS   7  -3.606   1.013   1.013
   65   1HD   LYS   7          1HD       LYS   7  -3.176   0.654   0.654
   66   2HD   LYS   7          2HD       LYS   7  -4.897   0.690   0.690
   67   1HE   LYS   7          1HE       LYS   7  -3.519  -1.429  -1.429
   68   2HE   LYS   7          2HE       LYS   7  -3.863  -1.638  -1.638
   69   1HZ   LYS   7          1HZ       LYS   7  -5.541  -2.636  -2.636
   70   2HZ   LYS   7          2HZ       LYS   7  -5.903  -1.204  -1.204
   71    H    ASP   8           H        ASP   8  -3.060   5.788   5.788
   72    HA   ASP   8           HA       ASP   8  -0.935   5.099   5.099
   73   1HB   ASP   8          1HB       ASP   8   0.595   6.688   6.688
   74   2HB   ASP   8          2HB       ASP   8  -0.716   7.346   7.346
   75    HD1  ASP   8           HD2      ASP   8  -2.370   8.619   8.619
   76    H    TYR   9           H        TYR   9   0.556   3.526   3.526
   77    HA   TYR   9           HA       TYR   9   2.208   2.398   2.398
   78   1HB   TYR   9          2HB       TYR   9   1.997   3.143   3.143
   79   2HB   TYR   9          1HB       TYR   9   3.358   2.420   2.420
   80    HD1  TYR   9           HD1      TYR   9   4.761   3.824   3.824
   81    HD2  TYR   9           HD2      TYR   9   1.685   5.636   5.636
   82    HE1  TYR   9           HE1      TYR   9   5.924   5.978   5.978
   83    HE2  TYR   9           HE2      TYR   9   2.800   7.787   7.787
   84    HH   TYR   9           HH       TYR   9   4.593   8.882   8.882
   85    H    GLY  10           H        GLY  10  -0.201   1.257   1.257
   86   1HA   GLY  10          1HA       GLY  10  -1.142  -0.392  -0.392
   87   2HA   GLY  10          2HA       GLY  10  -2.001  -0.224  -0.224
   88    H    ARG  11           H        ARG  11  -0.905  -2.590  -2.590
   89    HA   ARG  11           HA       ARG  11   1.490  -3.601  -3.601
   90   1HB   ARG  11          1HB       ARG  11  -0.198  -4.630  -4.630
   91   2HB   ARG  11          2HB       ARG  11   1.034  -5.640  -5.640
   92   1HG   ARG  11          1HG       ARG  11   1.941  -4.608  -4.608
   93   2HG   ARG  11          2HG       ARG  11   2.839  -4.090  -4.090
   94   1HD   ARG  11          1HD       ARG  11   1.764  -1.846  -1.846
   95   2HD   ARG  11          2HD       ARG  11   0.655  -2.350  -2.350
   96   1HH1  ARG  11          2HH2      ARG  11   1.210  -0.110  -0.110
   97   2HH1  ARG  11          1HH2      ARG  11   2.188   0.809   0.809
   98   1HH2  ARG  11          1HH1      ARG  11   4.463  -1.750  -1.750
   99   2HH2  ARG  11          2HH1      ARG  11   3.914  -0.063  -0.063
  100    H    CYS  12           H        CYS  12   0.281  -3.466  -3.466
  101    HA   CYS  12           HA       CYS  12  -1.568  -5.123  -5.123
  102   1HB   CYS  12          2HB       CYS  12  -0.949  -4.029  -4.029
  103   2HB   CYS  12          1HB       CYS  12  -0.661  -2.882  -2.882
  104    H    LYS  13           H        LYS  13  -1.001  -6.145  -6.145
  105    HA   LYS  13           HA       LYS  13   1.526  -7.597  -7.597
  106   1HB   LYS  13          1HB       LYS  13   0.882  -9.917  -9.917
  107   2HB   LYS  13          2HB       LYS  13   0.617  -9.336  -9.336
  108   1HG   LYS  13          1HG       LYS  13  -1.799  -9.351  -9.351
  109   2HG   LYS  13          2HG       LYS  13  -1.676  -9.529  -9.529
  110   1HD   LYS  13          1HD       LYS  13  -0.876 -11.763 -11.763
  111   2HD   LYS  13          2HD       LYS  13  -0.479 -11.678 -11.678
  112   1HE   LYS  13          1HE       LYS  13  -2.940 -11.544 -11.544
  113   2HE   LYS  13          2HE       LYS  13  -3.357 -11.628 -11.628
  114   1HZ   LYS  13          1HZ       LYS  13  -2.311 -13.788 -13.788
  115   2HZ   LYS  13          2HZ       LYS  13  -3.496 -13.774 -13.774
  116    H    TRP  14           H        TRP  14   1.774  -8.680  -8.680
  117    HA   TRP  14           HA       TRP  14   0.106  -7.550  -7.550
  118   1HB   TRP  14          1HB       TRP  14   2.980  -8.623  -8.623
  119   2HB   TRP  14          2HB       TRP  14   2.026  -8.463  -8.463
  120    HD1  TRP  14           HD1      TRP  14   1.017  -5.265  -5.265
  121    HE1  TRP  14           HE1      TRP  14   2.405  -3.244  -3.244
  122    HE3  TRP  14           HE3      TRP  14   4.865  -7.994  -7.994
  123    HZ2  TRP  14           HZ2      TRP  14   4.926  -2.990  -2.990
  124    HZ3  TRP  14           HZ3      TRP  14   6.779  -6.773  -6.773
  125    HH2  TRP  14           HH2      TRP  14   6.812  -4.312  -4.312
  126    H    GLY  15           H        GLY  15  -1.441  -8.843  -8.843
  127   1HA   GLY  15          1HA       GLY  15  -2.450 -11.048 -11.048
  128   2HA   GLY  15          2HA       GLY  15  -1.243 -11.909 -11.909
  129    H    GLY  16           H        GLY  16  -3.037  -9.033  -9.033
  130   1HA   GLY  16          1HA       GLY  16  -4.871 -10.592 -10.592
  131   2HA   GLY  16          2HA       GLY  16  -3.746  -9.406  -9.406
  132    H    THR  17           H        THR  17  -5.225  -8.253  -8.253
  133    HA   THR  17           HA       THR  17  -7.248  -6.692  -6.692
  134    HB   THR  17           HB       THR  17  -6.116  -5.072  -5.072
  135    HG1  THR  17           HG1      THR  17  -7.389  -7.566  -7.566
  136   1HG2  THR  17          3HG2      THR  17  -8.955  -5.929  -5.929
  137   2HG2  THR  17          1HG2      THR  17  -8.430  -4.826  -4.826
  138   3HG2  THR  17          2HG2      THR  17  -8.063  -4.460  -4.460
  139    HA   PRO  18           HA       PRO  18  -4.138  -3.785  -3.785
  140   1HB   PRO  18          1HB       PRO  18  -5.785  -1.886  -1.886
  141   2HB   PRO  18          2HB       PRO  18  -5.922  -3.555  -3.555
  142   1HG   PRO  18          1HG       PRO  18  -7.482  -2.301  -2.301
  143   2HG   PRO  18          2HG       PRO  18  -8.222  -2.870  -2.870
  144   1HD   PRO  18          1HD       PRO  18  -8.065  -4.613  -4.613
  145   2HD   PRO  18          2HD       PRO  18  -7.460  -5.214  -5.214
  146    H    CYS  19           H        CYS  19  -5.336  -1.081  -1.081
  147    HA   CYS  19           HA       CYS  19  -5.070  -0.509  -0.509
  148   1HB   CYS  19          1HB       CYS  19  -3.206   1.271   1.271
  149   2HB   CYS  19          2HB       CYS  19  -3.423   1.250   1.250
  150    H    CYS  20           H        CYS  20  -6.058   1.397   1.397
  151    HA   CYS  20           HA       CYS  20  -8.122   2.149   2.149
  152   1HB   CYS  20          1HB       CYS  20  -8.574   1.448   1.448
  153   2HB   CYS  20          2HB       CYS  20  -8.854   3.166   3.166
  154    H    ARG  21           H        ARG  21  -6.484   3.892   3.892
  155    HA   ARG  21           HA       ARG  21  -6.202   6.465   6.465
  156   1HB   ARG  21          1HB       ARG  21  -7.090   7.826   7.826
  157   2HB   ARG  21          2HB       ARG  21  -8.286   6.956   6.956
  158   1HG   ARG  21          1HG       ARG  21  -8.683   5.333   5.333
  159   2HG   ARG  21          2HG       ARG  21  -7.327   5.881   5.881
  160   1HD   ARG  21          1HD       ARG  21  -9.823   7.585   7.585
  161   2HD   ARG  21          2HD       ARG  21  -9.590   6.654   6.654
  162   1HH1  ARG  21          2HH2      ARG  21 -10.807   8.778   8.778
  163   2HH1  ARG  21          1HH2      ARG  21 -10.548  10.361  10.361
  164   1HH2  ARG  21          1HH1      ARG  21  -7.118  10.204  10.204
  165   2HH2  ARG  21          2HH1      ARG  21  -8.601  11.111  11.111
  166    H    GLY  22           H        GLY  22  -4.140   6.020   6.020
  167   1HA   GLY  22          1HA       GLY  22  -1.864   6.734   6.734
  168   2HA   GLY  22          2HA       GLY  22  -2.443   5.818   5.818
  169    H    ARG  23           H        ARG  23  -0.991   5.574   5.574
  170    HA   ARG  23           HA       ARG  23  -1.154   2.537   2.537
  171   1HB   ARG  23          1HB       ARG  23  -1.859   2.304   2.304
  172   2HB   ARG  23          2HB       ARG  23  -2.964   3.430   3.430
  173   1HG   ARG  23          1HG       ARG  23  -1.708   5.354   5.354
  174   2HG   ARG  23          2HG       ARG  23  -0.660   4.141   4.141
  175   1HD   ARG  23          1HD       ARG  23  -2.702   3.094   3.094
  176   2HD   ARG  23          2HD       ARG  23  -3.693   4.405   4.405
  177   1HH1  ARG  23          2HH2      ARG  23  -4.691   4.412   4.412
  178   2HH1  ARG  23          1HH2      ARG  23  -4.804   5.371   5.371
  179   1HH2  ARG  23          1HH1      ARG  23  -1.528   6.426   6.426
  180   2HH2  ARG  23          2HH1      ARG  23  -3.131   6.436   6.436
  181    H    GLY  24           H        GLY  24   0.001   1.505   1.505
  182   1HA   GLY  24          1HA       GLY  24   2.640   2.019   2.019
  183   2HA   GLY  24          2HA       GLY  24   2.886   1.949   1.949
  184    H    CYS  25           H        CYS  25   2.348   0.349   0.349
  185    HA   CYS  25           HA       CYS  25   2.314  -1.860  -1.860
  186   1HB   CYS  25          1HB       CYS  25   0.230  -2.431  -2.431
  187   2HB   CYS  25          2HB       CYS  25   1.069  -2.979  -2.979
  188    H    ILE  26           H        ILE  26   4.661  -0.728  -0.728
  189    HA   ILE  26           HA       ILE  26   6.429  -2.917  -2.917
  190    HB   ILE  26           HB       ILE  26   7.165  -0.591  -0.591
  191   1HG1  ILE  26          1HG1      ILE  26   7.471  -0.791  -0.791
  192   2HG1  ILE  26          2HG1      ILE  26   6.271   0.175   0.175
  193   1HG2  ILE  26          3HG2      ILE  26   8.909  -2.702  -2.702
  194   2HG2  ILE  26          1HG2      ILE  26   9.591  -1.126  -1.126
  195   3HG2  ILE  26          2HG2      ILE  26   8.804  -2.210  -2.210
  196   1HD1  ILE  26          2HD1      ILE  26   8.014   1.627   1.627
  197   2HD1  ILE  26          3HD1      ILE  26   9.280   0.749   0.749
  198   3HD1  ILE  26          1HD1      ILE  26   8.035   1.670   1.670
  199    H    CYS  27           H        CYS  27   7.546  -4.193  -4.193
  200    HA   CYS  27           HA       CYS  27   6.242  -4.890  -4.890
  201   1HB   CYS  27          1HB       CYS  27   7.732  -6.816  -6.816
  202   2HB   CYS  27          2HB       CYS  27   7.167  -7.241  -7.241
  203    H    SER  28           H        SER  28   7.627  -6.416  -6.416
  204    HA   SER  28           HA       SER  28   9.749  -4.674  -4.674
  205   1HB   SER  28          1HB       SER  28   9.299  -6.306  -6.306
  206   2HB   SER  28          2HB       SER  28   7.990  -5.399  -5.399
  207    HG   SER  28           HG       SER  28   7.499  -7.582  -7.582
  208    H    ILE  29           H        ILE  29  10.689  -6.992  -6.992
  209    HA   ILE  29           HA       ILE  29  12.525  -8.224  -8.224
  210    HB   ILE  29           HB       ILE  29  14.258  -8.828  -8.828
  211   1HG1  ILE  29          1HG1      ILE  29  14.659  -7.175  -7.175
  212   2HG1  ILE  29          2HG1      ILE  29  13.061  -6.487  -6.487
  213   1HG2  ILE  29          2HG2      ILE  29  14.553  -7.230  -7.230
  214   2HG2  ILE  29          3HG2      ILE  29  13.875  -5.910  -5.910
  215   3HG2  ILE  29          1HG2      ILE  29  15.425  -6.674  -6.674
  216   1HD1  ILE  29          3HD1      ILE  29  13.625  -9.401  -9.401
  217   2HD1  ILE  29          1HD1      ILE  29  13.193  -8.050  -8.050
  218   3HD1  ILE  29          2HD1      ILE  29  12.015  -8.636  -8.636
  219    H    MET  30           H        MET  30  10.421  -9.095  -9.095
  220    HA   MET  30           HA       MET  30  10.622 -11.946 -11.946
  221   1HB   MET  30          1HB       MET  30   8.436 -12.468 -12.468
  222   2HB   MET  30          2HB       MET  30   9.943 -12.304 -12.304
  223   1HG   MET  30          1HG       MET  30   8.095  -9.891  -9.891
  224   2HG   MET  30          2HG       MET  30   7.798 -11.178 -11.178
  225   1HE   MET  30          2HE       MET  30   8.096  -9.679  -9.679
  226   2HE   MET  30          1HE       MET  30   9.528  -8.657  -8.657
  227   3HE   MET  30          3HE       MET  30   8.389  -8.212  -8.212
  228    H    GLY  31           H        GLY  31   8.345  -9.326  -9.326
  229   1HA   GLY  31          1HA       GLY  31   6.939  -9.279  -9.279
  230   2HA   GLY  31          2HA       GLY  31   7.287 -10.950 -10.950
  231    H    THR  32           H        THR  32   5.875  -9.194  -9.194
  232    HA   THR  32           HA       THR  32   3.261 -10.604 -10.604
  233    HB   THR  32           HB       THR  32   3.670 -11.519 -11.519
  234    HG1  THR  32           HG1      THR  32   5.693 -10.624 -10.624
  235   1HG2  THR  32          1HG2      THR  32   3.323 -13.110 -13.110
  236   2HG2  THR  32          2HG2      THR  32   5.099 -13.142 -13.142
  237   3HG2  THR  32          3HG2      THR  32   4.364 -13.757 -13.757
  238    H    ASN  33           H        ASN  33   5.086  -9.409  -9.409
  239    HA   ASN  33           HA       ASN  33   3.336  -7.482  -7.482
  240   1HB   ASN  33          2HB       ASN  33   6.239  -8.550  -8.550
  241   2HB   ASN  33          1HB       ASN  33   6.049  -7.200  -7.200
  242   1HD2  ASN  33          1HD2      ASN  33   4.856 -10.677 -10.677
  243   2HD2  ASN  33          2HD2      ASN  33   5.564 -10.560 -10.560
  244    H    CYS  34           H        CYS  34   3.906  -7.020  -7.020
  245    HA   CYS  34           HA       CYS  34   5.605  -4.907  -4.907
  246   1HB   CYS  34          1HB       CYS  34   2.906  -5.184  -5.184
  247   2HB   CYS  34          2HB       CYS  34   4.260  -4.630  -4.630
  248    H    GLU  35           H        GLU  35   3.998  -2.767  -2.767
  249    HA   GLU  35           HA       GLU  35   2.389  -1.420  -1.420
  250   1HB   GLU  35          1HB       GLU  35   4.927   0.110   0.110
  251   2HB   GLU  35          2HB       GLU  35   3.760   0.738   0.738
  252   1HG   GLU  35          1HG       GLU  35   5.829  -1.474  -1.474
  253   2HG   GLU  35          2HG       GLU  35   6.006   0.220   0.220
  254    HE2  GLU  35           HE2      GLU  35   4.800  -1.966  -1.966
  255    H    CYS  36           H        CYS  36   1.180   0.370   0.370
  256    HA   CYS  36           HA       CYS  36   0.974   0.463   0.463
  257   1HB   CYS  36          1HB       CYS  36  -1.078   1.037   1.037
  258   2HB   CYS  36          2HB       CYS  36  -1.224   1.606   1.606
  259    H    LYS  37           H        LYS  37   2.797   1.881   1.881
  260    HA   LYS  37           HA       LYS  37   3.533   3.780   3.780
  261   1HB   LYS  37          1HB       LYS  37   4.229   3.374   3.374
  262   2HB   LYS  37          2HB       LYS  37   4.567   4.977   4.977
  263   1HG   LYS  37          1HG       LYS  37   6.576   3.807   3.807
  264   2HG   LYS  37          2HG       LYS  37   5.869   4.060   4.060
  265   1HD   LYS  37          1HD       LYS  37   4.968   1.645   1.645
  266   2HD   LYS  37          2HD       LYS  37   5.737   1.435   1.435
  267   1HE   LYS  37          1HE       LYS  37   7.184   0.427   0.427
  268   2HE   LYS  37          2HE       LYS  37   8.016   1.864   1.864
  269   1HZ   LYS  37          1HZ       LYS  37   6.497   1.630   1.630
  270   2HZ   LYS  37          2HZ       LYS  37   8.125   1.646   1.646
  271    HA   PRO  38           HA       PRO  38   1.039   7.013   7.013
  272   1HB   PRO  38          1HB       PRO  38   2.544   9.252   9.252
  273   2HB   PRO  38          2HB       PRO  38   2.529   7.720   7.720
  274   1HG   PRO  38          1HG       PRO  38   4.558   8.611   8.611
  275   2HG   PRO  38          2HG       PRO  38   4.915   8.011   8.011
  276   1HD   PRO  38          1HD       PRO  38   4.955   6.361   6.361
  277   2HD   PRO  38          2HD       PRO  38   4.384   5.721   5.721
  278    H    ARG  39           H        ARG  39  -0.279   7.811   7.811
  279    HA   ARG  39           HA       ARG  39   0.385  10.364  10.364
  280   1HB   ARG  39          1HB       ARG  39   0.161   9.704   9.704
  281   2HB   ARG  39          2HB       ARG  39   1.689   9.393   9.393
  282   1HG   ARG  39          1HG       ARG  39   1.270   6.973   6.973
  283   2HG   ARG  39          2HG       ARG  39  -0.382   7.163   7.163
  284   1HD   ARG  39          1HD       ARG  39   0.398   8.019   8.019
  285   2HD   ARG  39          2HD       ARG  39   2.081   8.088   8.088
  286   1HH1  ARG  39          2HH2      ARG  39   1.386   7.585   7.585
  287   2HH1  ARG  39          1HH2      ARG  39   1.714   6.186   6.186
  288   1HH2  ARG  39          1HH1      ARG  39   1.775   3.844   3.844
  289   2HH2  ARG  39          2HH1      ARG  39   1.919   4.213   4.213
  290    H    LEU  40           H        LEU  40  -1.388  11.351  11.351
  291    HA   LEU  40           HA       LEU  40  -4.038  10.181  10.181
  292   1HB   LEU  40          1HB       LEU  40  -4.091  10.503  10.503
  293   2HB   LEU  40          2HB       LEU  40  -3.455  12.130  12.130
  294    HG   LEU  40           HG       LEU  40  -5.534  12.861  12.861
  295   1HD1  LEU  40          2HD1      LEU  40  -6.423  10.643  10.643
  296   2HD1  LEU  40          3HD1      LEU  40  -6.688  10.100  10.100
  297   3HD1  LEU  40          1HD1      LEU  40  -7.635  11.453  11.453
  298   1HD2  LEU  40          3HD2      LEU  40  -5.211  13.275  13.275
  299   2HD2  LEU  40          1HD2      LEU  40  -6.927  12.983  12.983
  300   3HD2  LEU  40          2HD2      LEU  40  -5.940  11.700  11.700
  301    H    ILE  41           H        ILE  41  -2.711  12.928  12.928
  302    HA   ILE  41           HA       ILE  41  -3.780  14.117  14.117
  303    HB   ILE  41           HB       ILE  41  -3.120  16.418  16.418
  304   1HG1  ILE  41          1HG1      ILE  41  -2.499  15.569  15.569
  305   2HG1  ILE  41          2HG1      ILE  41  -1.257  15.835  15.835
  306   1HG2  ILE  41          3HG2      ILE  41  -5.444  15.636  15.636
  307   2HG2  ILE  41          1HG2      ILE  41  -5.028  15.287  15.287
  308   3HG2  ILE  41          2HG2      ILE  41  -4.977  16.955  16.955
  309   1HD1  ILE  41          1HD1      ILE  41  -1.999  18.236  18.236
  310   2HD1  ILE  41          2HD1      ILE  41  -3.221  18.004  18.004
  311   3HD1  ILE  41          3HD1      ILE  41  -1.492  17.867  17.867
  312    H    MET  42           H        MET  42  -1.821  12.275  12.275
  313    HA   MET  42           HA       MET  42  -0.198  13.203  13.203
  314   1HB   MET  42          1HB       MET  42   1.204  11.763  11.763
  315   2HB   MET  42          2HB       MET  42   1.916  11.977  11.977
  316   1HG   MET  42          1HG       MET  42   1.876  14.473  14.473
  317   2HG   MET  42          2HG       MET  42   1.199  14.280  14.280
  318   1HE   MET  42          3HE       MET  42   3.982  15.812  15.812
  319   2HE   MET  42          2HE       MET  42   3.291  15.618  15.618
  320   3HE   MET  42          1HE       MET  42   4.994  15.171  15.171
  321    H    GLU  43           H        GLU  43  -2.582  11.151  11.151
  322    HA   GLU  43           HA       GLU  43  -1.712   8.626   8.626
  323   1HB   GLU  43          1HB       GLU  43  -2.142   8.522   8.522
  324   2HB   GLU  43          2HB       GLU  43  -3.479   9.639   9.639
  325   1HG   GLU  43          1HG       GLU  43  -4.750   8.309   8.309
  326   2HG   GLU  43          2HG       GLU  43  -3.631   6.950   6.950
  327    HE1  GLU  43           HE2      GLU  43  -5.568   7.698   7.698
  328    H    GLY  44           H        GLY  44  -4.646   9.369   9.369
  329   1HA   GLY  44          1HA       GLY  44  -4.955  10.168  10.168
  330   2HA   GLY  44          2HA       GLY  44  -6.263   9.585   9.585
  331    H    LEU  45           H        LEU  45  -5.045  11.984  11.984
  332    HA   LEU  45           HA       LEU  45  -7.205  13.882  13.882
  333   1HB   LEU  45          1HB       LEU  45  -5.738  13.738  13.738
  334   2HB   LEU  45          2HB       LEU  45  -6.950  14.934  14.934
  335    HG   LEU  45           HG       LEU  45  -7.519  11.903  11.903
  336   1HD1  LEU  45          3HD2      LEU  45  -6.796  12.593  12.593
  337   2HD1  LEU  45          1HD2      LEU  45  -8.007  13.892  13.892
  338   3HD1  LEU  45          2HD2      LEU  45  -8.520  12.184  12.184
  339   1HD2  LEU  45          1HD1      LEU  45  -9.476  14.302  14.302
  340   2HD2  LEU  45          2HD1      LEU  45  -9.201  13.207  13.207
  341   3HD2  LEU  45          3HD1      LEU  45  -9.933  12.585  12.585
  342    H    GLY  46           H        GLY  46  -4.009  14.567  14.567
  343   1HA   GLY  46          1HA       GLY  46  -2.203  15.827  15.827
  344   2HA   GLY  46          2HA       GLY  46  -3.378  16.564  16.564
  345    H    LEU  47           H        LEU  47  -5.175  17.769  17.769
  346    HA   LEU  47           HA       LEU  47  -3.746  19.622  19.622
  347   1HB   LEU  47          1HB       LEU  47  -4.991  21.490  21.490
  348   2HB   LEU  47          2HB       LEU  47  -4.044  20.836  20.836
  349    HG   LEU  47           HG       LEU  47  -7.090  20.394  20.394
  350   1HD1  LEU  47          2HD1      LEU  47  -6.608  22.835  22.835
  351   2HD1  LEU  47          3HD1      LEU  47  -5.611  22.600  22.600
  352   3HD1  LEU  47          1HD1      LEU  47  -7.362  22.273  22.273
  353   1HD2  LEU  47          2HD2      LEU  47  -5.194  20.059  20.059
  354   2HD2  LEU  47          3HD2      LEU  47  -6.076  18.759  18.759
  355   3HD2  LEU  47          1HD2      LEU  47  -6.972  19.975  19.975
  356    H    ALA  48           H        ALA  48  -7.142  18.623  18.623
  357    HA   ALA  48           HA       ALA  48  -7.896  19.412  19.412
  358   1HB   ALA  48          2HB       ALA  48  -9.292  20.196  20.196
  359   2HB   ALA  48          3HB       ALA  48  -9.659  18.517  18.517
  360   3HB   ALA  48          1HB       ALA  48 -10.236  19.160  19.160
  361    HXT  ALA  48           HO        OH  49  -7.926  16.329  16.329

  Start of MODEL    2
    1   1H    LYS   1          3H        LYS   1 -15.040 -10.959 -10.959
    2   2H    LYS   1          1H        LYS   1 -16.351 -10.028 -10.028
    3   3H    LYS   1          2H        LYS   1 -16.398 -11.024 -11.024
    4    HA   LYS   1           HA       LYS   1 -14.695  -9.782  -9.782
    5   1HB   LYS   1          1HB       LYS   1 -17.149  -9.230  -9.230
    6   2HB   LYS   1          2HB       LYS   1 -17.016  -7.989  -7.989
    7   1HG   LYS   1          1HG       LYS   1 -15.301  -6.780  -6.780
    8   2HG   LYS   1          2HG       LYS   1 -15.443  -8.018  -8.018
    9   1HD   LYS   1          1HD       LYS   1 -17.764  -6.218  -6.218
   10   2HD   LYS   1          2HD       LYS   1 -16.730  -5.864  -5.864
   11   1HE   LYS   1          1HE       LYS   1 -17.505  -7.990  -7.990
   12   2HE   LYS   1          2HE       LYS   1 -18.579  -8.338  -8.338
   13   1HZ   LYS   1          1HZ       LYS   1 -19.736  -6.272  -6.272
   14   2HZ   LYS   1          2HZ       LYS   1 -19.758  -7.235  -7.235
   15    H    LYS   2           H        LYS   2 -12.801  -8.931  -8.931
   16    HA   LYS   2           HA       LYS   2 -12.172  -7.713  -7.713
   17   1HB   LYS   2          1HB       LYS   2 -10.312  -7.990  -7.990
   18   2HB   LYS   2          2HB       LYS   2  -9.856  -7.480  -7.480
   19   1HG   LYS   2          1HG       LYS   2 -10.526  -9.710  -9.710
   20   2HG   LYS   2          2HG       LYS   2 -10.952 -10.266 -10.266
   21   1HD   LYS   2          1HD       LYS   2  -8.568  -9.838  -9.838
   22   2HD   LYS   2          2HD       LYS   2  -8.147  -9.298  -9.298
   23   1HE   LYS   2          1HE       LYS   2  -8.742 -11.593 -11.593
   24   2HE   LYS   2          2HE       LYS   2  -9.147 -12.139 -12.139
   25   1HZ   LYS   2          1HZ       LYS   2  -6.876 -11.702 -11.702
   26   2HZ   LYS   2          2HZ       LYS   2  -6.919 -12.754 -12.754
   27    H    LYS   3           H        LYS   3 -11.847  -6.355  -6.355
   28    HA   LYS   3           HA       LYS   3 -11.840  -4.188  -4.188
   29   1HB   LYS   3          1HB       LYS   3 -13.836  -2.872  -2.872
   30   2HB   LYS   3          2HB       LYS   3 -14.130  -4.555  -4.555
   31   1HG   LYS   3          1HG       LYS   3 -14.743  -5.031  -5.031
   32   2HG   LYS   3          2HG       LYS   3 -14.360  -3.376  -3.376
   33   1HD   LYS   3          1HD       LYS   3 -16.173  -2.491  -2.491
   34   2HD   LYS   3          2HD       LYS   3 -16.509  -4.114  -4.114
   35   1HE   LYS   3          1HE       LYS   3 -17.154  -4.865  -4.865
   36   2HE   LYS   3          2HE       LYS   3 -16.838  -3.231  -3.231
   37   1HZ   LYS   3          1HZ       LYS   3 -18.553  -2.397  -2.397
   38   2HZ   LYS   3          2HZ       LYS   3 -19.152  -3.533  -3.533
   39    H    CYS   4           H        CYS   4  -9.825  -3.713  -3.713
   40    HA   CYS   4           HA       CYS   4  -8.149  -2.469  -2.469
   41   1HB   CYS   4          1HB       CYS   4  -8.370  -0.110  -0.110
   42   2HB   CYS   4          2HB       CYS   4  -9.016  -0.811  -0.811
   43    H    ILE   5           H        ILE   5  -7.375  -0.903  -0.903
   44    HA   ILE   5           HA       ILE   5  -8.169  -1.866  -1.866
   45    HB   ILE   5           HB       ILE   5  -5.643  -0.534  -0.534
   46   1HG1  ILE   5          1HG1      ILE   5  -6.566  -3.382  -3.382
   47   2HG1  ILE   5          2HG1      ILE   5  -5.689  -2.633  -2.633
   48   1HG2  ILE   5          2HG2      ILE   5  -5.796   0.100   0.100
   49   2HG2  ILE   5          3HG2      ILE   5  -5.979  -1.607  -1.607
   50   3HG2  ILE   5          1HG2      ILE   5  -4.463  -1.016  -1.016
   51   1HD1  ILE   5          2HD1      ILE   5  -3.538  -2.717  -2.717
   52   2HD1  ILE   5          3HD1      ILE   5  -4.446  -3.595  -3.595
   53   3HD1  ILE   5          1HD1      ILE   5  -4.246  -4.308  -4.308
   54    H    ALA   6           H        ALA   6  -7.101   1.314   1.314
   55    HA   ALA   6           HA       ALA   6  -7.615   3.501   3.501
   56   1HB   ALA   6          2HB       ALA   6 -10.045   3.022   3.022
   57   2HB   ALA   6          3HB       ALA   6  -9.907   2.650   2.650
   58   3HB   ALA   6          1HB       ALA   6  -9.534   4.281   4.281
   59    H    LYS   7           H        LYS   7  -5.421   2.696   2.696
   60    HA   LYS   7           HA       LYS   7  -4.990   4.212   4.212
   61   1HB   LYS   7          1HB       LYS   7  -5.443   1.829   1.829
   62   2HB   LYS   7          2HB       LYS   7  -4.107   1.247   1.247
   63   1HG   LYS   7          1HG       LYS   7  -2.502   2.651   2.651
   64   2HG   LYS   7          2HG       LYS   7  -3.823   3.276   3.276
   65   1HD   LYS   7          1HD       LYS   7  -3.043   0.288   0.288
   66   2HD   LYS   7          2HD       LYS   7  -2.429   1.398   1.398
   67   1HE   LYS   7          1HE       LYS   7  -4.787   1.791   1.791
   68   2HE   LYS   7          2HE       LYS   7  -5.417   0.658   0.658
   69   1HZ   LYS   7          1HZ       LYS   7  -5.068  -0.388  -0.388
   70   2HZ   LYS   7          2HZ       LYS   7  -3.481   0.005   0.005
   71    H    ASP   8           H        ASP   8  -3.354   5.583   5.583
   72    HA   ASP   8           HA       ASP   8  -1.342   5.135   5.135
   73   1HB   ASP   8          1HB       ASP   8  -1.563   7.028   7.028
   74   2HB   ASP   8          2HB       ASP   8  -0.446   7.118   7.118
   75    HD2  ASP   8           HD2      ASP   8  -4.109   8.582   8.582
   76    H    TYR   9           H        TYR   9   0.357   3.651   3.651
   77    HA   TYR   9           HA       TYR   9   2.060   2.653   2.653
   78   1HB   TYR   9          2HB       TYR   9   1.582   3.377   3.377
   79   2HB   TYR   9          1HB       TYR   9   2.962   2.557   2.557
   80    HD1  TYR   9           HD2      TYR   9   4.609   3.860   3.860
   81    HD2  TYR   9           HD1      TYR   9   1.519   5.813   5.813
   82    HE1  TYR   9           HE2      TYR   9   5.777   6.004   6.004
   83    HE2  TYR   9           HE1      TYR   9   2.665   7.939   7.939
   84    HH   TYR   9           HH       TYR   9   4.470   8.993   8.993
   85    H    GLY  10           H        GLY  10  -0.353   1.617   1.617
   86   1HA   GLY  10          1HA       GLY  10  -1.639  -0.039  -0.039
   87   2HA   GLY  10          2HA       GLY  10  -2.109   0.000   0.000
   88    H    ARG  11           H        ARG  11  -1.306  -2.149  -2.149
   89    HA   ARG  11           HA       ARG  11   1.243  -3.337  -3.337
   90   1HB   ARG  11          1HB       ARG  11   0.789  -3.257  -3.257
   91   2HB   ARG  11          2HB       ARG  11  -0.851  -3.853  -3.853
   92   1HG   ARG  11          1HG       ARG  11   0.650  -5.439  -5.439
   93   2HG   ARG  11          2HG       ARG  11  -0.193  -6.114  -6.114
   94   1HD   ARG  11          1HD       ARG  11   1.936  -5.857  -5.857
   95   2HD   ARG  11          2HD       ARG  11   2.772  -5.230  -5.230
   96   1HH1  ARG  11          2HH2      ARG  11   0.908  -7.677  -7.677
   97   2HH1  ARG  11          1HH2      ARG  11   0.987  -9.505  -9.505
   98   1HH2  ARG  11          1HH1      ARG  11   2.830  -9.402  -9.402
   99   2HH2  ARG  11          2HH1      ARG  11   2.008 -10.418 -10.418
  100    H    CYS  12           H        CYS  12   0.307  -3.329  -3.329
  101    HA   CYS  12           HA       CYS  12  -1.559  -4.848  -4.848
  102   1HB   CYS  12          2HB       CYS  12  -0.725  -4.026  -4.026
  103   2HB   CYS  12          1HB       CYS  12   0.018  -2.952  -2.952
  104    H    LYS  13           H        LYS  13  -0.886  -6.293  -6.293
  105    HA   LYS  13           HA       LYS  13   1.410  -8.099  -8.099
  106   1HB   LYS  13          1HB       LYS  13   0.523 -10.278 -10.278
  107   2HB   LYS  13          2HB       LYS  13  -0.240  -9.460  -9.460
  108   1HG   LYS  13          1HG       LYS  13  -2.383  -9.276  -9.276
  109   2HG   LYS  13          2HG       LYS  13  -1.593  -9.844  -9.844
  110   1HD   LYS  13          1HD       LYS  13  -2.725 -11.751 -11.751
  111   2HD   LYS  13          2HD       LYS  13  -1.046 -12.043 -12.043
  112   1HE   LYS  13          1HE       LYS  13  -2.329 -12.850 -12.850
  113   2HE   LYS  13          2HE       LYS  13  -1.511 -11.398 -11.398
  114   1HZ   LYS  13          1HZ       LYS  13  -3.570 -10.168 -10.168
  115   2HZ   LYS  13          2HZ       LYS  13  -3.798 -11.426 -11.426
  116    H    TRP  14           H        TRP  14   1.724  -9.495  -9.495
  117    HA   TRP  14           HA       TRP  14   0.946  -8.009  -8.009
  118   1HB   TRP  14          1HB       TRP  14   3.489  -9.607  -9.607
  119   2HB   TRP  14          2HB       TRP  14   3.002  -9.036  -9.036
  120    HD1  TRP  14           HD1      TRP  14   2.145  -5.825  -5.825
  121    HE1  TRP  14           HE1      TRP  14   4.144  -4.191  -4.191
  122    HE3  TRP  14           HE3      TRP  14   5.880  -9.308  -9.308
  123    HZ2  TRP  14           HZ2      TRP  14   6.965  -4.460  -4.460
  124    HZ3  TRP  14           HZ3      TRP  14   8.220  -8.518  -8.518
  125    HH2  TRP  14           HH2      TRP  14   8.755  -6.132  -6.132
  126    H    GLY  15           H        GLY  15  -0.836  -9.027  -9.027
  127   1HA   GLY  15          1HA       GLY  15  -1.952 -11.010 -11.010
  128   2HA   GLY  15          2HA       GLY  15  -1.018 -12.100 -12.100
  129    H    GLY  16           H        GLY  16  -2.757  -9.121  -9.121
  130   1HA   GLY  16          1HA       GLY  16  -4.958 -10.612 -10.612
  131   2HA   GLY  16          2HA       GLY  16  -3.825  -9.563  -9.563
  132    H    THR  17           H        THR  17  -5.375  -8.360  -8.360
  133    HA   THR  17           HA       THR  17  -7.059  -6.599  -6.599
  134    HB   THR  17           HB       THR  17  -6.242  -5.116  -5.116
  135    HG1  THR  17           HG1      THR  17  -7.594  -7.613  -7.613
  136   1HG2  THR  17          3HG2      THR  17  -8.930  -5.828  -5.828
  137   2HG2  THR  17          1HG2      THR  17  -8.654  -4.913  -4.913
  138   3HG2  THR  17          2HG2      THR  17  -7.975  -4.374  -4.374
  139    HA   PRO  18           HA       PRO  18  -3.571  -3.637  -3.637
  140   1HB   PRO  18          1HB       PRO  18  -5.032  -1.686  -1.686
  141   2HB   PRO  18          2HB       PRO  18  -5.077  -3.310  -3.310
  142   1HG   PRO  18          1HG       PRO  18  -7.031  -2.183  -2.183
  143   2HG   PRO  18          2HG       PRO  18  -7.510  -2.656  -2.656
  144   1HD   PRO  18          1HD       PRO  18  -7.689  -4.491  -4.491
  145   2HD   PRO  18          2HD       PRO  18  -6.877  -5.026  -5.026
  146    H    CYS  19           H        CYS  19  -4.886  -0.998  -0.998
  147    HA   CYS  19           HA       CYS  19  -5.488  -0.642  -0.642
  148   1HB   CYS  19          1HB       CYS  19  -2.931   0.849   0.849
  149   2HB   CYS  19          2HB       CYS  19  -3.903   1.245   1.245
  150    H    CYS  20           H        CYS  20  -6.283   1.396   1.396
  151    HA   CYS  20           HA       CYS  20  -7.890   2.227   2.227
  152   1HB   CYS  20          1HB       CYS  20  -8.836   1.497   1.497
  153   2HB   CYS  20          2HB       CYS  20  -9.082   3.213   3.213
  154    H    ARG  21           H        ARG  21  -6.700   3.847   3.847
  155    HA   ARG  21           HA       ARG  21  -6.508   6.568   6.568
  156   1HB   ARG  21          1HB       ARG  21  -7.216   6.079   6.079
  157   2HB   ARG  21          2HB       ARG  21  -7.154   7.616   7.616
  158   1HG   ARG  21          1HG       ARG  21  -9.078   6.734   6.734
  159   2HG   ARG  21          2HG       ARG  21  -9.168   5.333   5.333
  160   1HD   ARG  21          1HD       ARG  21  -9.600   6.846   6.846
  161   2HD   ARG  21          2HD       ARG  21  -9.556   8.258   8.258
  162   1HH1  ARG  21          2HH2      ARG  21 -11.142   8.510   8.510
  163   2HH1  ARG  21          1HH2      ARG  21 -12.965   8.665   8.665
  164   1HH2  ARG  21          1HH1      ARG  21 -13.574   6.630   6.630
  165   2HH2  ARG  21          2HH1      ARG  21 -14.246   7.672   7.672
  166    H    GLY  22           H        GLY  22  -4.412   5.829   5.829
  167   1HA   GLY  22          1HA       GLY  22  -2.034   6.786   6.786
  168   2HA   GLY  22          2HA       GLY  22  -2.271   6.129   6.129
  169    H    ARG  23           H        ARG  23  -1.336   5.440   5.440
  170    HA   ARG  23           HA       ARG  23  -0.948   2.488   2.488
  171   1HB   ARG  23          1HB       ARG  23  -2.181   1.710   1.710
  172   2HB   ARG  23          2HB       ARG  23  -3.209   2.712   2.712
  173   1HG   ARG  23          1HG       ARG  23  -2.795   4.659   4.659
  174   2HG   ARG  23          2HG       ARG  23  -1.924   3.537   3.537
  175   1HD   ARG  23          1HD       ARG  23  -4.888   3.252   3.252
  176   2HD   ARG  23          2HD       ARG  23  -4.339   3.985   3.985
  177   1HH1  ARG  23          2HH2      ARG  23  -6.479   2.645   2.645
  178   2HH1  ARG  23          1HH2      ARG  23  -7.093   1.168   1.168
  179   1HH2  ARG  23          1HH1      ARG  23  -3.965  -0.246  -0.246
  180   2HH2  ARG  23          2HH1      ARG  23  -5.764  -0.357  -0.357
  181    H    GLY  24           H        GLY  24  -0.198   1.362   1.362
  182   1HA   GLY  24          1HA       GLY  24   1.692   1.007   1.007
  183   2HA   GLY  24          2HA       GLY  24   2.436   2.453   2.453
  184    H    CYS  25           H        CYS  25   2.036  -0.478  -0.478
  185    HA   CYS  25           HA       CYS  25   2.789  -0.665  -0.665
  186   1HB   CYS  25          1HB       CYS  25   0.945  -2.436  -2.436
  187   2HB   CYS  25          2HB       CYS  25   2.279  -3.317  -3.317
  188    H    ILE  26           H        ILE  26   4.760  -0.844  -0.844
  189    HA   ILE  26           HA       ILE  26   6.816  -2.482  -2.482
  190    HB   ILE  26           HB       ILE  26   7.583  -0.428  -0.428
  191   1HG1  ILE  26          1HG1      ILE  26   6.984   1.015   1.015
  192   2HG1  ILE  26          2HG1      ILE  26   8.717   0.869   0.869
  193   1HG2  ILE  26          3HG2      ILE  26   9.241  -2.395  -2.395
  194   2HG2  ILE  26          1HG2      ILE  26   9.967  -0.936  -0.936
  195   3HG2  ILE  26          2HG2      ILE  26   9.124  -2.145  -2.145
  196   1HD1  ILE  26          2HD1      ILE  26   8.329  -0.781  -0.781
  197   2HD1  ILE  26          3HD1      ILE  26   6.589  -0.426  -0.426
  198   3HD1  ILE  26          1HD1      ILE  26   7.709   0.873   0.873
  199    H    CYS  27           H        CYS  27   7.662  -3.959  -3.959
  200    HA   CYS  27           HA       CYS  27   6.562  -4.785  -4.785
  201   1HB   CYS  27          1HB       CYS  27   7.164  -6.730  -6.730
  202   2HB   CYS  27          2HB       CYS  27   6.571  -7.121  -7.121
  203    H    SER  28           H        SER  28   8.055  -7.017  -7.017
  204    HA   SER  28           HA       SER  28  10.874  -5.876  -5.876
  205   1HB   SER  28          1HB       SER  28   9.170  -5.725  -5.725
  206   2HB   SER  28          2HB       SER  28   9.432  -7.392  -7.392
  207    HG   SER  28           HG       SER  28  11.686  -6.922  -6.922
  208    H    ILE  29           H        ILE  29  10.856  -8.250  -8.250
  209    HA   ILE  29           HA       ILE  29  12.664  -9.779  -9.779
  210    HB   ILE  29           HB       ILE  29  11.347 -10.462 -10.462
  211   1HG1  ILE  29          1HG1      ILE  29  12.575  -8.228  -8.228
  212   2HG1  ILE  29          2HG1      ILE  29  12.973  -9.299  -9.299
  213   1HG2  ILE  29          2HG2      ILE  29  13.886 -11.811 -11.811
  214   2HG2  ILE  29          3HG2      ILE  29  13.342 -11.823 -11.823
  215   3HG2  ILE  29          1HG2      ILE  29  12.337 -12.565 -12.565
  216   1HD1  ILE  29          2HD1      ILE  29  14.631  -8.826  -8.826
  217   2HD1  ILE  29          3HD1      ILE  29  14.979  -8.119  -8.119
  218   3HD1  ILE  29          1HD1      ILE  29  15.165  -9.872  -9.872
  219    H    MET  30           H        MET  30   9.713 -10.183 -10.183
  220    HA   MET  30           HA       MET  30   9.968 -12.721 -12.721
  221   1HB   MET  30          1HB       MET  30   8.268 -14.161 -14.161
  222   2HB   MET  30          2HB       MET  30   9.569 -13.825 -13.825
  223   1HG   MET  30          1HG       MET  30   8.148 -12.061 -12.061
  224   2HG   MET  30          2HG       MET  30   6.795 -12.559 -12.559
  225   1HE   MET  30          1HE       MET  30   8.793 -13.259 -13.259
  226   2HE   MET  30          3HE       MET  30   8.627 -15.019 -15.019
  227   3HE   MET  30          2HE       MET  30   9.699 -14.408 -14.408
  228    H    GLY  31           H        GLY  31   8.060  -9.843  -9.843
  229   1HA   GLY  31          1HA       GLY  31   6.476  -9.160  -9.160
  230   2HA   GLY  31          2HA       GLY  31   6.024 -10.825 -10.825
  231    H    THR  32           H        THR  32   6.124 -10.722 -10.722
  232    HA   THR  32           HA       THR  32   3.289  -9.769  -9.769
  233    HB   THR  32           HB       THR  32   3.250 -11.075 -11.075
  234    HG1  THR  32           HG1      THR  32   5.423 -10.802 -10.802
  235   1HG2  THR  32          2HG2      THR  32   2.750 -12.522 -12.522
  236   2HG2  THR  32          3HG2      THR  32   4.463 -13.008 -13.008
  237   3HG2  THR  32          1HG2      THR  32   3.475 -13.446 -13.446
  238    H    ASN  33           H        ASN  33   4.568  -9.470  -9.470
  239    HA   ASN  33           HA       ASN  33   4.913  -7.554  -7.554
  240   1HB   ASN  33          2HB       ASN  33   7.392  -8.195  -8.195
  241   2HB   ASN  33          1HB       ASN  33   7.206  -7.703  -7.703
  242   1HD2  ASN  33          1HD2      ASN  33   8.060 -11.392 -11.392
  243   2HD2  ASN  33          2HD2      ASN  33   8.682  -9.992  -9.992
  244    H    CYS  34           H        CYS  34   4.096  -6.681  -6.681
  245    HA   CYS  34           HA       CYS  34   5.679  -4.522  -4.522
  246   1HB   CYS  34          1HB       CYS  34   3.945  -6.235  -6.235
  247   2HB   CYS  34          2HB       CYS  34   2.807  -4.991  -4.991
  248    H    GLU  35           H        GLU  35   4.075  -2.918  -2.918
  249    HA   GLU  35           HA       GLU  35   2.349  -1.299  -1.299
  250   1HB   GLU  35          1HB       GLU  35   5.104   0.108   0.108
  251   2HB   GLU  35          2HB       GLU  35   3.671   0.957   0.957
  252   1HG   GLU  35          1HG       GLU  35   3.636  -0.491  -0.491
  253   2HG   GLU  35          2HG       GLU  35   5.200  -1.151  -1.151
  254    HE2  GLU  35           HE2      GLU  35   5.374   1.845   1.845
  255    H    CYS  36           H        CYS  36   1.319   0.526   0.526
  256    HA   CYS  36           HA       CYS  36   1.463   0.518   0.518
  257   1HB   CYS  36          1HB       CYS  36  -0.844   0.954   0.954
  258   2HB   CYS  36          2HB       CYS  36  -0.849   1.546   1.546
  259    H    LYS  37           H        LYS  37   3.185   2.090   2.090
  260    HA   LYS  37           HA       LYS  37   3.549   4.170   4.170
  261   1HB   LYS  37          1HB       LYS  37   4.383   4.055   4.055
  262   2HB   LYS  37          2HB       LYS  37   4.822   5.432   5.432
  263   1HG   LYS  37          1HG       LYS  37   5.941   3.938   3.938
  264   2HG   LYS  37          2HG       LYS  37   5.577   2.528   2.528
  265   1HD   LYS  37          1HD       LYS  37   6.946   3.483   3.483
  266   2HD   LYS  37          2HD       LYS  37   7.262   4.943   4.943
  267   1HE   LYS  37          1HE       LYS  37   8.459   3.562   3.562
  268   2HE   LYS  37          2HE       LYS  37   8.141   2.090   2.090
  269   1HZ   LYS  37          1HZ       LYS  37   9.697   4.420   4.420
  270   2HZ   LYS  37          2HZ       LYS  37   9.404   3.061   3.061
  271    HA   PRO  38           HA       PRO  38   0.336   6.856   6.856
  272   1HB   PRO  38          1HB       PRO  38   1.424   9.484   9.484
  273   2HB   PRO  38          2HB       PRO  38   1.240   8.182   8.182
  274   1HG   PRO  38          1HG       PRO  38   3.707   8.847   8.847
  275   2HG   PRO  38          2HG       PRO  38   3.612   8.545   8.545
  276   1HD   PRO  38          1HD       PRO  38   4.387   6.547   6.547
  277   2HD   PRO  38          2HD       PRO  38   3.243   6.148   6.148
  278    H    ARG  39           H        ARG  39  -0.891   8.835   8.835
  279    HA   ARG  39           HA       ARG  39  -0.646   9.028   9.028
  280   1HB   ARG  39          1HB       ARG  39  -2.625  10.436  10.436
  281   2HB   ARG  39          2HB       ARG  39  -2.844   8.953   8.953
  282   1HG   ARG  39          1HG       ARG  39  -4.084  10.647  10.647
  283   2HG   ARG  39          2HG       ARG  39  -2.809  10.153  10.153
  284   1HD   ARG  39          1HD       ARG  39  -1.553  12.241  12.241
  285   2HD   ARG  39          2HD       ARG  39  -2.491  12.644  12.644
  286   1HH1  ARG  39          2HH2      ARG  39  -2.356  11.471  11.471
  287   2HH1  ARG  39          1HH2      ARG  39  -3.231  12.172  12.172
  288   1HH2  ARG  39          1HH1      ARG  39  -5.028  14.423  14.423
  289   2HH2  ARG  39          2HH1      ARG  39  -4.639  13.728  13.728
  290    H    LEU  40           H        LEU  40  -0.644  11.059  11.059
  291    HA   LEU  40           HA       LEU  40   1.920  12.264  12.264
  292   1HB   LEU  40          1HB       LEU  40   1.899  12.998  12.998
  293   2HB   LEU  40          2HB       LEU  40   0.943  11.559  11.559
  294    HG   LEU  40           HG       LEU  40  -1.061  13.467  13.467
  295   1HD1  LEU  40          3HD1      LEU  40   1.071  14.790  14.790
  296   2HD1  LEU  40          1HD1      LEU  40  -0.589  15.428  15.428
  297   3HD1  LEU  40          2HD1      LEU  40   0.597  15.323  15.323
  298   1HD2  LEU  40          2HD2      LEU  40  -0.047  12.561  12.561
  299   2HD2  LEU  40          3HD2      LEU  40  -1.179  11.672  11.672
  300   3HD2  LEU  40          1HD2      LEU  40  -1.668  13.236  13.236
  301    H    ILE  41           H        ILE  41  -0.488  13.352  13.352
  302    HA   ILE  41           HA       ILE  41   0.696  16.122  16.122
  303    HB   ILE  41           HB       ILE  41  -2.298  15.619  15.619
  304   1HG1  ILE  41          1HG1      ILE  41  -1.923  15.750  15.750
  305   2HG1  ILE  41          2HG1      ILE  41  -2.769  17.161  17.161
  306   1HG2  ILE  41          1HG2      ILE  41  -0.657  18.211  18.211
  307   2HG2  ILE  41          2HG2      ILE  41  -2.435  18.128  18.128
  308   3HG2  ILE  41          3HG2      ILE  41  -1.522  17.321  17.321
  309   1HD1  ILE  41          3HD1      ILE  41   0.249  17.111  17.111
  310   2HD1  ILE  41          1HD1      ILE  41  -1.057  17.738  17.738
  311   3HD1  ILE  41          2HD1      ILE  41  -0.668  18.554  18.554
  312    H    MET  42           H        MET  42   1.538  13.800  13.800
  313    HA   MET  42           HA       MET  42   1.806  14.252  14.252
  314   1HB   MET  42          1HB       MET  42  -0.349  12.891  12.891
  315   2HB   MET  42          2HB       MET  42   0.510  11.585  11.585
  316   1HG   MET  42          1HG       MET  42   1.898  11.278  11.278
  317   2HG   MET  42          2HG       MET  42   1.013  12.621  12.621
  318   1HE   MET  42          3HE       MET  42   0.514  10.673  10.673
  319   2HE   MET  42          2HE       MET  42  -0.392   9.172   9.172
  320   3HE   MET  42          1HE       MET  42   1.254   9.400   9.400
  321    H    GLU  43           H        GLU  43   2.864  12.439  12.439
  322    HA   GLU  43           HA       GLU  43   5.107  10.938  10.938
  323   1HB   GLU  43          1HB       GLU  43   3.247  10.087  10.087
  324   2HB   GLU  43          2HB       GLU  43   3.476  11.361  11.361
  325   1HG   GLU  43          1HG       GLU  43   5.437  10.716  10.716
  326   2HG   GLU  43          2HG       GLU  43   5.760   9.435   9.435
  327    HE1  GLU  43           HE2      GLU  43   3.421   8.783   8.783
  328    H    GLY  44           H        GLY  44   5.915  11.987  11.987
  329   1HA   GLY  44          1HA       GLY  44   7.817  14.261  14.261
  330   2HA   GLY  44          2HA       GLY  44   7.840  13.467  13.467
  331    H    LEU  45           H        LEU  45   5.476  15.303  15.303
  332    HA   LEU  45           HA       LEU  45   4.204  16.549  16.549
  333   1HB   LEU  45          1HB       LEU  45   2.781  17.713  17.713
  334   2HB   LEU  45          2HB       LEU  45   3.001  16.113  16.113
  335    HG   LEU  45           HG       LEU  45   4.342  18.632  18.632
  336   1HD1  LEU  45          1HD1      LEU  45   1.849  18.768  18.768
  337   2HD1  LEU  45          2HD1      LEU  45   1.797  17.185  17.185
  338   3HD1  LEU  45          3HD1      LEU  45   2.587  18.571  18.571
  339   1HD2  LEU  45          2HD2      LEU  45   4.094  15.785  15.785
  340   2HD2  LEU  45          3HD2      LEU  45   5.601  16.600  16.600
  341   3HD2  LEU  45          1HD2      LEU  45   4.677  17.217  17.217
  342    H    GLY  46           H        GLY  46   6.691  18.004  18.004
  343   1HA   GLY  46          1HA       GLY  46   7.278  20.032  20.032
  344   2HA   GLY  46          2HA       GLY  46   6.840  20.700  20.700
  345    H    LEU  47           H        LEU  47   9.172  18.748  18.748
  346    HA   LEU  47           HA       LEU  47  11.094  18.709  18.709
  347   1HB   LEU  47          1HB       LEU  47  11.222  17.086  17.086
  348   2HB   LEU  47          2HB       LEU  47  12.383  17.002  17.002
  349    HG   LEU  47           HG       LEU  47   9.415  16.208  16.208
  350   1HD1  LEU  47          3HD1      LEU  47  10.682  14.664  14.664
  351   2HD1  LEU  47          1HD1      LEU  47  11.926  14.425  14.425
  352   3HD1  LEU  47          2HD1      LEU  47  10.261  13.852  13.852
  353   1HD2  LEU  47          3HD2      LEU  47  11.691  15.829  15.829
  354   2HD2  LEU  47          1HD2      LEU  47  10.280  16.902  16.902
  355   3HD2  LEU  47          2HD2      LEU  47  10.049  15.148  15.148
  356    H    ALA  48           H        ALA  48  11.339  19.225  19.225
  357    HA   ALA  48           HA       ALA  48  12.667  20.614  20.614
  358   1HB   ALA  48          2HB       ALA  48  11.563  22.486  22.486
  359   2HB   ALA  48          3HB       ALA  48  12.856  22.517  22.517
  360   3HB   ALA  48          1HB       ALA  48  13.222  22.901  22.901
  361    HXT  ALA  48           HO        OH  49  15.791  19.369  19.369

  Start of MODEL    3
    1   1H    LYS   1          1H        LYS   1  -9.346 -11.568 -11.568
    2   2H    LYS   1          2H        LYS   1  -8.013 -10.954 -10.954
    3   3H    LYS   1          3H        LYS   1  -7.894 -12.349 -12.349
    4    HA   LYS   1           HA       LYS   1  -8.359 -11.213 -11.213
    5   1HB   LYS   1          1HB       LYS   1  -6.006 -11.511 -11.511
    6   2HB   LYS   1          2HB       LYS   1  -6.079  -9.968  -9.968
    7   1HG   LYS   1          1HG       LYS   1  -6.429  -8.814  -8.814
    8   2HG   LYS   1          2HG       LYS   1  -6.270 -10.380 -10.380
    9   1HD   LYS   1          1HD       LYS   1  -3.931 -10.624 -10.624
   10   2HD   LYS   1          2HD       LYS   1  -4.102  -9.097  -9.097
   11   1HE   LYS   1          1HE       LYS   1  -4.404  -7.871  -7.871
   12   2HE   LYS   1          2HE       LYS   1  -4.191  -9.401  -9.401
   13   1HZ   LYS   1          1HZ       LYS   1  -2.153  -8.127  -8.127
   14   2HZ   LYS   1          2HZ       LYS   1  -2.192  -8.117  -8.117
   15    H    LYS   2           H        LYS   2 -10.245 -10.118 -10.118
   16    HA   LYS   2           HA       LYS   2 -11.824  -8.423  -8.423
   17   1HB   LYS   2          1HB       LYS   2 -11.332  -6.678  -6.678
   18   2HB   LYS   2          2HB       LYS   2 -10.478  -8.109  -8.109
   19   1HG   LYS   2          1HG       LYS   2  -8.319  -7.121  -7.121
   20   2HG   LYS   2          2HG       LYS   2  -9.238  -5.669  -5.669
   21   1HD   LYS   2          1HD       LYS   2  -9.822  -5.380  -5.380
   22   2HD   LYS   2          2HD       LYS   2  -8.815  -6.785  -6.785
   23   1HE   LYS   2          1HE       LYS   2  -6.797  -5.578  -5.578
   24   2HE   LYS   2          2HE       LYS   2  -7.829  -4.178  -4.178
   25   1HZ   LYS   2          1HZ       LYS   2  -7.322  -5.301  -5.301
   26   2HZ   LYS   2          2HZ       LYS   2  -8.271  -4.007  -4.007
   27    H    LYS   3           H        LYS   3 -11.349  -5.482  -5.482
   28    HA   LYS   3           HA       LYS   3 -11.324  -5.242  -5.242
   29   1HB   LYS   3          1HB       LYS   3 -13.686  -4.296  -4.296
   30   2HB   LYS   3          2HB       LYS   3 -13.390  -3.789  -3.789
   31   1HG   LYS   3          1HG       LYS   3 -13.552  -6.188  -6.188
   32   2HG   LYS   3          2HG       LYS   3 -13.908  -6.699  -6.699
   33   1HD   LYS   3          1HD       LYS   3 -15.951  -5.208  -5.208
   34   2HD   LYS   3          2HD       LYS   3 -15.635  -4.717  -4.717
   35   1HE   LYS   3          1HE       LYS   3 -16.193  -7.634  -7.634
   36   2HE   LYS   3          2HE       LYS   3 -17.415  -6.523  -6.523
   37   1HZ   LYS   3          1HZ       LYS   3 -16.242  -6.402  -6.402
   38   2HZ   LYS   3          2HZ       LYS   3 -16.642  -7.946  -7.946
   39    H    CYS   4           H        CYS   4  -9.402  -4.315  -4.315
   40    HA   CYS   4           HA       CYS   4  -7.793  -2.694  -2.694
   41   1HB   CYS   4          1HB       CYS   4  -8.192  -0.469  -0.469
   42   2HB   CYS   4          2HB       CYS   4  -9.211  -1.484  -1.484
   43    H    ILE   5           H        ILE   5  -6.951  -0.753  -0.753
   44    HA   ILE   5           HA       ILE   5  -6.931  -1.531  -1.531
   45    HB   ILE   5           HB       ILE   5  -4.954  -0.156  -0.156
   46   1HG1  ILE   5          1HG1      ILE   5  -5.096  -2.575  -2.575
   47   2HG1  ILE   5          2HG1      ILE   5  -3.536  -2.126  -2.126
   48   1HG2  ILE   5          3HG2      ILE   5  -4.532  -0.578  -0.578
   49   2HG2  ILE   5          1HG2      ILE   5  -3.255  -0.198  -0.198
   50   3HG2  ILE   5          2HG2      ILE   5  -4.561   0.962   0.962
   51   1HD1  ILE   5          2HD1      ILE   5  -4.197  -2.977  -2.977
   52   2HD1  ILE   5          3HD1      ILE   5  -5.773  -3.483  -3.483
   53   3HD1  ILE   5          1HD1      ILE   5  -4.268  -4.216  -4.216
   54    H    ALA   6           H        ALA   6  -6.648   1.634   1.634
   55    HA   ALA   6           HA       ALA   6  -7.252   3.793   3.793
   56   1HB   ALA   6          2HB       ALA   6  -9.572   2.990   2.990
   57   2HB   ALA   6          3HB       ALA   6  -9.560   2.607   2.607
   58   3HB   ALA   6          1HB       ALA   6  -9.392   4.291   4.291
   59    H    LYS   7           H        LYS   7  -5.095   3.405   3.405
   60    HA   LYS   7           HA       LYS   7  -4.868   5.059   5.059
   61   1HB   LYS   7          1HB       LYS   7  -3.754   3.361   3.361
   62   2HB   LYS   7          2HB       LYS   7  -5.506   3.451   3.451
   63   1HG   LYS   7          1HG       LYS   7  -5.510   1.356   1.356
   64   2HG   LYS   7          2HG       LYS   7  -3.783   1.244   1.244
   65   1HD   LYS   7          1HD       LYS   7  -6.019   1.112   1.112
   66   2HD   LYS   7          2HD       LYS   7  -5.116  -0.252  -0.252
   67   1HE   LYS   7          1HE       LYS   7  -2.981   0.647   0.647
   68   2HE   LYS   7          2HE       LYS   7  -3.892   2.004   2.004
   69   1HZ   LYS   7          1HZ       LYS   7  -4.440  -0.857  -0.857
   70   2HZ   LYS   7          2HZ       LYS   7  -5.271   0.402   0.402
   71    H    ASP   8           H        ASP   8  -2.948   6.123   6.123
   72    HA   ASP   8           HA       ASP   8  -1.069   5.211   5.211
   73   1HB   ASP   8          1HB       ASP   8  -0.802   7.462   7.462
   74   2HB   ASP   8          2HB       ASP   8  -0.023   7.258   7.258
   75    HD1  ASP   8           HD2      ASP   8  -2.438   8.478   8.478
   76    H    TYR   9           H        TYR   9   0.387   3.509   3.509
   77    HA   TYR   9           HA       TYR   9   2.057   2.524   2.524
   78   1HB   TYR   9          2HB       TYR   9   2.131   3.698   3.698
   79   2HB   TYR   9          1HB       TYR   9   3.301   2.644   2.644
   80    HD1  TYR   9           HD1      TYR   9   4.853   3.571   3.571
   81    HD2  TYR   9           HD2      TYR   9   2.332   6.108   6.108
   82    HE1  TYR   9           HE1      TYR   9   6.232   5.514   5.514
   83    HE2  TYR   9           HE2      TYR   9   3.675   8.037   8.037
   84    HH   TYR   9           HH       TYR   9   6.561   7.696   7.696
   85    H    GLY  10           H        GLY  10  -0.385   1.597   1.597
   86   1HA   GLY  10          1HA       GLY  10  -1.514   0.397   0.397
   87   2HA   GLY  10          2HA       GLY  10  -2.128   0.150   0.150
   88    H    ARG  11           H        ARG  11  -1.981  -2.184  -2.184
   89    HA   ARG  11           HA       ARG  11   0.623  -3.536  -3.536
   90   1HB   ARG  11          1HB       ARG  11  -0.218  -3.351  -3.351
   91   2HB   ARG  11          2HB       ARG  11  -1.777  -4.021  -4.021
   92   1HG   ARG  11          1HG       ARG  11  -0.464  -5.651  -5.651
   93   2HG   ARG  11          2HG       ARG  11  -0.800  -6.251  -6.251
   94   1HD   ARG  11          1HD       ARG  11   1.539  -5.699  -5.699
   95   2HD   ARG  11          2HD       ARG  11   1.905  -4.980  -4.980
   96   1HH1  ARG  11          2HH2      ARG  11   2.522  -5.675  -5.675
   97   2HH1  ARG  11          1HH2      ARG  11   3.146  -7.097  -7.097
   98   1HH2  ARG  11          1HH1      ARG  11   2.099  -9.425  -9.425
   99   2HH2  ARG  11          2HH1      ARG  11   2.921  -9.088  -9.088
  100    H    CYS  12           H        CYS  12   0.032  -3.479  -3.479
  101    HA   CYS  12           HA       CYS  12  -2.110  -5.055  -5.055
  102   1HB   CYS  12          2HB       CYS  12  -1.379  -3.934  -3.934
  103   2HB   CYS  12          1HB       CYS  12  -1.245  -2.792  -2.792
  104    H    LYS  13           H        LYS  13  -1.318  -6.062  -6.062
  105    HA   LYS  13           HA       LYS  13   1.216  -7.611  -7.611
  106   1HB   LYS  13          1HB       LYS  13  -0.323  -9.147  -9.147
  107   2HB   LYS  13          2HB       LYS  13  -1.350  -9.309  -9.309
  108   1HG   LYS  13          1HG       LYS  13   0.707 -10.244 -10.244
  109   2HG   LYS  13          2HG       LYS  13   1.610 -10.168 -10.168
  110   1HD   LYS  13          1HD       LYS  13  -0.957 -11.791 -11.791
  111   2HD   LYS  13          2HD       LYS  13   0.686 -12.412 -12.412
  112   1HE   LYS  13          1HE       LYS  13   1.110 -11.948 -11.948
  113   2HE   LYS  13          2HE       LYS  13  -0.556 -11.374 -11.374
  114   1HZ   LYS  13          1HZ       LYS  13  -1.339 -13.547 -13.547
  115   2HZ   LYS  13          2HZ       LYS  13  -0.377 -13.651 -13.651
  116    H    TRP  14           H        TRP  14   1.847  -8.273  -8.273
  117    HA   TRP  14           HA       TRP  14   0.428  -7.211  -7.211
  118   1HB   TRP  14          1HB       TRP  14   3.371  -7.943  -7.943
  119   2HB   TRP  14          2HB       TRP  14   2.677  -7.971  -7.971
  120    HD1  TRP  14           HD1      TRP  14   0.961  -4.878  -4.878
  121    HE1  TRP  14           HE1      TRP  14   2.215  -2.735  -2.735
  122    HE3  TRP  14           HE3      TRP  14   5.512  -7.097  -7.097
  123    HZ2  TRP  14           HZ2      TRP  14   4.915  -2.167  -2.167
  124    HZ3  TRP  14           HZ3      TRP  14   7.432  -5.645  -5.645
  125    HH2  TRP  14           HH2      TRP  14   7.140  -3.220  -3.220
  126    H    GLY  15           H        GLY  15  -0.978  -8.631  -8.631
  127   1HA   GLY  15          1HA       GLY  15  -1.798 -10.877 -10.877
  128   2HA   GLY  15          2HA       GLY  15  -0.510 -11.673 -11.673
  129    H    GLY  16           H        GLY  16  -2.737  -9.064  -9.064
  130   1HA   GLY  16          1HA       GLY  16  -4.338 -10.583 -10.583
  131   2HA   GLY  16          2HA       GLY  16  -3.079  -9.506  -9.506
  132    H    THR  17           H        THR  17  -4.323  -8.182  -8.182
  133    HA   THR  17           HA       THR  17  -6.558  -6.717  -6.717
  134    HB   THR  17           HB       THR  17  -5.128  -4.766  -4.766
  135    HG1  THR  17           HG1      THR  17  -5.942  -7.268  -7.268
  136   1HG2  THR  17          1HG2      THR  17  -7.336  -4.531  -4.531
  137   2HG2  THR  17          2HG2      THR  17  -7.914  -5.937  -5.937
  138   3HG2  THR  17          3HG2      THR  17  -7.220  -4.543  -4.543
  139    HA   PRO  18           HA       PRO  18  -4.230  -4.261  -4.261
  140   1HB   PRO  18          1HB       PRO  18  -6.178  -2.410  -2.410
  141   2HB   PRO  18          2HB       PRO  18  -6.283  -4.137  -4.137
  142   1HG   PRO  18          1HG       PRO  18  -7.419  -2.753  -2.753
  143   2HG   PRO  18          2HG       PRO  18  -8.398  -3.583  -3.583
  144   1HD   PRO  18          1HD       PRO  18  -7.654  -5.015  -5.015
  145   2HD   PRO  18          2HD       PRO  18  -7.270  -5.769  -5.769
  146    H    CYS  19           H        CYS  19  -5.698  -2.618  -2.618
  147    HA   CYS  19           HA       CYS  19  -5.219  -0.701  -0.701
  148   1HB   CYS  19          1HB       CYS  19  -2.787   0.030   0.030
  149   2HB   CYS  19          2HB       CYS  19  -3.367   0.967   0.967
  150    H    CYS  20           H        CYS  20  -5.818   1.425   1.425
  151    HA   CYS  20           HA       CYS  20  -8.038   1.377   1.377
  152   1HB   CYS  20          1HB       CYS  20  -8.200   1.672   1.672
  153   2HB   CYS  20          2HB       CYS  20  -8.553   3.260   3.260
  154    H    ARG  21           H        ARG  21  -6.457   4.287   4.287
  155    HA   ARG  21           HA       ARG  21  -7.426   5.803   5.803
  156   1HB   ARG  21          1HB       ARG  21  -6.866   6.982   6.982
  157   2HB   ARG  21          2HB       ARG  21  -7.631   7.768   7.768
  158   1HG   ARG  21          1HG       ARG  21  -9.636   6.312   6.312
  159   2HG   ARG  21          2HG       ARG  21  -8.899   5.319   5.319
  160   1HD   ARG  21          1HD       ARG  21  -9.432   8.319   8.319
  161   2HD   ARG  21          2HD       ARG  21 -10.577   7.031   7.031
  162   1HH1  ARG  21          2HH2      ARG  21 -10.743   8.607   8.607
  163   2HH1  ARG  21          1HH2      ARG  21 -10.391   8.717   8.717
  164   1HH2  ARG  21          1HH1      ARG  21  -7.690   6.586   6.586
  165   2HH2  ARG  21          2HH1      ARG  21  -8.776   7.646   7.646
  166    H    GLY  22           H        GLY  22  -5.348   4.797   4.797
  167   1HA   GLY  22          1HA       GLY  22  -3.261   5.333   5.333
  168   2HA   GLY  22          2HA       GLY  22  -3.321   6.946   6.946
  169    H    ARG  23           H        ARG  23  -2.535   3.565   3.565
  170    HA   ARG  23           HA       ARG  23  -0.570   4.438   4.438
  171   1HB   ARG  23          1HB       ARG  23  -3.048   2.821   2.821
  172   2HB   ARG  23          2HB       ARG  23  -1.593   2.327   2.327
  173   1HG   ARG  23          1HG       ARG  23  -1.304   4.615   4.615
  174   2HG   ARG  23          2HG       ARG  23  -2.711   5.178   5.178
  175   1HD   ARG  23          1HD       ARG  23  -4.099   3.344   3.344
  176   2HD   ARG  23          2HD       ARG  23  -2.679   3.139   3.139
  177   1HH1  ARG  23          2HH2      ARG  23  -5.561   4.587   4.587
  178   2HH1  ARG  23          1HH2      ARG  23  -6.567   5.964   5.964
  179   1HH2  ARG  23          1HH1      ARG  23  -4.135   6.966   6.966
  180   2HH2  ARG  23          2HH1      ARG  23  -5.817   7.213   7.213
  181    H    GLY  24           H        GLY  24   1.044   3.258   3.258
  182   1HA   GLY  24          1HA       GLY  24   2.572   1.934   1.934
  183   2HA   GLY  24          2HA       GLY  24   2.930   1.947   1.947
  184    H    CYS  25           H        CYS  25   2.484   0.466   0.466
  185    HA   CYS  25           HA       CYS  25   2.098  -1.700  -1.700
  186   1HB   CYS  25          1HB       CYS  25   0.015  -2.239  -2.239
  187   2HB   CYS  25          2HB       CYS  25   0.888  -2.809  -2.809
  188    H    ILE  26           H        ILE  26   4.590  -0.694  -0.694
  189    HA   ILE  26           HA       ILE  26   6.106  -3.060  -3.060
  190    HB   ILE  26           HB       ILE  26   7.151  -0.662  -0.662
  191   1HG1  ILE  26          1HG1      ILE  26   7.214  -1.352  -1.352
  192   2HG1  ILE  26          2HG1      ILE  26   6.178  -0.154  -0.154
  193   1HG2  ILE  26          3HG2      ILE  26   8.638  -3.062  -3.062
  194   2HG2  ILE  26          1HG2      ILE  26   9.478  -1.510  -1.510
  195   3HG2  ILE  26          2HG2      ILE  26   8.661  -2.420  -2.420
  196   1HD1  ILE  26          1HD1      ILE  26   8.114   1.285   1.285
  197   2HD1  ILE  26          2HD1      ILE  26   9.229   0.128   0.128
  198   3HD1  ILE  26          3HD1      ILE  26   8.006   0.988   0.988
  199    H    CYS  27           H        CYS  27   7.272  -4.303  -4.303
  200    HA   CYS  27           HA       CYS  27   5.917  -5.110  -5.110
  201   1HB   CYS  27          1HB       CYS  27   7.283  -6.878  -6.878
  202   2HB   CYS  27          2HB       CYS  27   6.670  -7.495  -7.495
  203    H    SER  28           H        SER  28   7.460  -7.071  -7.071
  204    HA   SER  28           HA       SER  28   9.230  -5.593  -5.593
  205   1HB   SER  28          1HB       SER  28   7.728  -8.172  -8.172
  206   2HB   SER  28          2HB       SER  28   9.298  -8.559  -8.559
  207    HG   SER  28           HG       SER  28   8.063  -8.099  -8.099
  208    H    ILE  29           H        ILE  29   9.588  -7.265  -7.265
  209    HA   ILE  29           HA       ILE  29  11.365  -7.974  -7.974
  210    HB   ILE  29           HB       ILE  29  13.437  -7.456  -7.456
  211   1HG1  ILE  29          1HG1      ILE  29  13.839  -5.783  -5.783
  212   2HG1  ILE  29          2HG1      ILE  29  12.067  -5.902  -5.902
  213   1HG2  ILE  29          3HG2      ILE  29  13.808  -8.387  -8.387
  214   2HG2  ILE  29          1HG2      ILE  29  15.101  -7.844  -7.844
  215   3HG2  ILE  29          2HG2      ILE  29  14.196  -9.323  -9.323
  216   1HD1  ILE  29          1HD1      ILE  29  13.677  -5.023  -5.023
  217   2HD1  ILE  29          2HD1      ILE  29  13.082  -3.902  -3.902
  218   3HD1  ILE  29          3HD1      ILE  29  11.933  -4.839  -4.839
  219    H    MET  30           H        MET  30   9.985  -9.390  -9.390
  220    HA   MET  30           HA       MET  30  10.304 -12.184 -12.184
  221   1HB   MET  30          1HB       MET  30   9.752 -11.444 -11.444
  222   2HB   MET  30          2HB       MET  30   8.222 -10.847 -10.847
  223   1HG   MET  30          1HG       MET  30   8.023 -13.076 -13.076
  224   2HG   MET  30          2HG       MET  30   7.591 -13.214 -13.214
  225   1HE   MET  30          2HE       MET  30   8.313 -15.747 -15.747
  226   2HE   MET  30          1HE       MET  30   7.954 -15.866 -15.866
  227   3HE   MET  30          3HE       MET  30   9.416 -16.650 -16.650
  228    H    GLY  31           H        GLY  31   7.875  -9.571  -9.571
  229   1HA   GLY  31          1HA       GLY  31   6.348  -9.412  -9.412
  230   2HA   GLY  31          2HA       GLY  31   6.297 -11.156 -11.156
  231    H    THR  32           H        THR  32   6.133 -11.030 -11.030
  232    HA   THR  32           HA       THR  32   3.227 -10.493 -10.493
  233    HB   THR  32           HB       THR  32   3.383 -11.925 -11.925
  234    HG1  THR  32           HG1      THR  32   5.428 -11.239 -11.239
  235   1HG2  THR  32          2HG2      THR  32   3.297 -13.362 -13.362
  236   2HG2  THR  32          3HG2      THR  32   5.074 -13.504 -13.504
  237   3HG2  THR  32          1HG2      THR  32   4.095 -14.163 -14.163
  238    H    ASN  33           H        ASN  33   3.647 -10.095 -10.095
  239    HA   ASN  33           HA       ASN  33   3.561  -8.141  -8.141
  240   1HB   ASN  33          2HB       ASN  33   5.051  -9.901  -9.901
  241   2HB   ASN  33          1HB       ASN  33   6.415  -9.137  -9.137
  242   1HD2  ASN  33          1HD2      ASN  33   6.921  -8.806  -8.806
  243   2HD2  ASN  33          2HD2      ASN  33   6.984 -10.048 -10.048
  244    H    CYS  34           H        CYS  34   3.430  -7.258  -7.258
  245    HA   CYS  34           HA       CYS  34   5.249  -5.048  -5.048
  246   1HB   CYS  34          1HB       CYS  34   2.539  -5.129  -5.129
  247   2HB   CYS  34          2HB       CYS  34   3.938  -4.579  -4.579
  248    H    GLU  35           H        GLU  35   4.187  -2.785  -2.785
  249    HA   GLU  35           HA       GLU  35   2.108  -1.772  -1.772
  250   1HB   GLU  35          1HB       GLU  35   3.240   0.235   0.235
  251   2HB   GLU  35          2HB       GLU  35   4.093  -1.192  -1.192
  252   1HG   GLU  35          1HG       GLU  35   5.885  -0.818  -0.818
  253   2HG   GLU  35          2HG       GLU  35   4.997   0.567   0.567
  254    HE2  GLU  35           HE2      GLU  35   7.405   2.214   2.214
  255    H    CYS  36           H        CYS  36   1.070   0.205   0.205
  256    HA   CYS  36           HA       CYS  36   1.263   0.317   0.317
  257   1HB   CYS  36          1HB       CYS  36  -1.207   0.404   0.404
  258   2HB   CYS  36          2HB       CYS  36  -1.107   1.483   1.483
  259    H    LYS  37           H        LYS  37   3.105   1.563   1.563
  260    HA   LYS  37           HA       LYS  37   3.537   3.925   3.925
  261   1HB   LYS  37          1HB       LYS  37   4.580   3.268   3.268
  262   2HB   LYS  37          2HB       LYS  37   5.173   4.621   4.621
  263   1HG   LYS  37          1HG       LYS  37   5.872   3.073   3.073
  264   2HG   LYS  37          2HG       LYS  37   5.280   1.687   1.687
  265   1HD   LYS  37          1HD       LYS  37   6.921   2.168   2.168
  266   2HD   LYS  37          2HD       LYS  37   7.536   3.563   3.563
  267   1HE   LYS  37          1HE       LYS  37   8.244   2.038   2.038
  268   2HE   LYS  37          2HE       LYS  37   7.596   0.638   0.638
  269   1HZ   LYS  37          1HZ       LYS  37   9.164   1.112   1.112
  270   2HZ   LYS  37          2HZ       LYS  37   9.763   2.405   2.405
  271    HA   PRO  38           HA       PRO  38   0.409   6.555   6.555
  272   1HB   PRO  38          1HB       PRO  38   2.267   8.970   8.970
  273   2HB   PRO  38          2HB       PRO  38   0.854   8.915   8.915
  274   1HG   PRO  38          1HG       PRO  38   3.481   8.548   8.548
  275   2HG   PRO  38          2HG       PRO  38   2.098   7.829   7.829
  276   1HD   PRO  38          1HD       PRO  38   4.174   6.438   6.438
  277   2HD   PRO  38          2HD       PRO  38   2.905   5.757   5.757
  278    H    ARG  39           H        ARG  39   2.576   7.674   7.674
  279    HA   ARG  39           HA       ARG  39   0.163   8.010   8.010
  280   1HB   ARG  39          1HB       ARG  39   1.223   9.849   9.849
  281   2HB   ARG  39          2HB       ARG  39   0.956  10.185  10.185
  282   1HG   ARG  39          1HG       ARG  39   3.437   9.807   9.807
  283   2HG   ARG  39          2HG       ARG  39   3.686   9.441   9.441
  284   1HD   ARG  39          1HD       ARG  39   4.393  11.702  11.702
  285   2HD   ARG  39          2HD       ARG  39   2.906  11.760  11.760
  286   1HH1  ARG  39          2HH2      ARG  39   3.718  13.904  13.904
  287   2HH1  ARG  39          1HH2      ARG  39   3.234  15.484  15.484
  288   1HH2  ARG  39          1HH1      ARG  39   1.749  13.932  13.932
  289   2HH2  ARG  39          2HH1      ARG  39   2.195  15.497  15.497
  290    H    LEU  40           H        LEU  40   0.055   6.860   6.860
  291    HA   LEU  40           HA       LEU  40   2.532   5.485   5.485
  292   1HB   LEU  40          1HB       LEU  40   0.634   4.039   4.039
  293   2HB   LEU  40          2HB       LEU  40  -0.352   4.922   4.922
  294    HG   LEU  40           HG       LEU  40   2.410   4.091   4.091
  295   1HD1  LEU  40          3HD1      LEU  40   0.212   1.946   1.946
  296   2HD1  LEU  40          1HD1      LEU  40   1.714   1.685   1.685
  297   3HD1  LEU  40          2HD1      LEU  40   1.789   2.034   2.034
  298   1HD2  LEU  40          2HD2      LEU  40  -0.372   3.855   3.855
  299   2HD2  LEU  40          3HD2      LEU  40   0.830   5.137   5.137
  300   3HD2  LEU  40          1HD2      LEU  40   1.190   3.477   3.477
  301    H    ILE  41           H        ILE  41   3.419   6.763   6.763
  302    HA   ILE  41           HA       ILE  41   2.657   7.785   7.785
  303    HB   ILE  41           HB       ILE  41   1.828   9.689   9.689
  304   1HG1  ILE  41          1HG1      ILE  41   1.970   9.934   9.934
  305   2HG1  ILE  41          2HG1      ILE  41   2.256  11.437  11.437
  306   1HG2  ILE  41          1HG2      ILE  41   3.678   9.948   9.948
  307   2HG2  ILE  41          2HG2      ILE  41   4.721  10.630  10.630
  308   3HG2  ILE  41          3HG2      ILE  41   3.229  11.468  11.468
  309   1HD1  ILE  41          2HD1      ILE  41   4.767  11.209  11.209
  310   2HD1  ILE  41          3HD1      ILE  41   4.388   9.751   9.751
  311   3HD1  ILE  41          1HD1      ILE  41   3.734  11.327  11.327
  312    H    MET  42           H        MET  42   4.170   5.887   5.887
  313    HA   MET  42           HA       MET  42   6.550   5.937   5.937
  314   1HB   MET  42          1HB       MET  42   8.505   5.944   5.944
  315   2HB   MET  42          2HB       MET  42   7.773   7.510   7.510
  316   1HG   MET  42          1HG       MET  42   6.670   7.145   7.145
  317   2HG   MET  42          2HG       MET  42   7.542   5.609   5.609
  318   1HE   MET  42          1HE       MET  42   9.944   5.394   5.394
  319   2HE   MET  42          3HE       MET  42  10.440   5.743   5.743
  320   3HE   MET  42          2HE       MET  42  11.229   6.594   6.594
  321    H    GLU  43           H        GLU  43   5.209   4.552   4.552
  322    HA   GLU  43           HA       GLU  43   6.706   2.201   2.201
  323   1HB   GLU  43          1HB       GLU  43   4.062   3.286   3.286
  324   2HB   GLU  43          2HB       GLU  43   4.710   1.780   1.780
  325   1HG   GLU  43          1HG       GLU  43   6.921   2.955   2.955
  326   2HG   GLU  43          2HG       GLU  43   6.085   4.478   4.478
  327    HE2  GLU  43           HE2      GLU  43   4.121   4.316   4.316
  328    H    GLY  44           H        GLY  44   4.581   2.624   2.624
  329   1HA   GLY  44          1HA       GLY  44   4.612   0.061   0.061
  330   2HA   GLY  44          2HA       GLY  44   3.101  -0.025  -0.025
  331    H    LEU  45           H        LEU  45   4.827   1.862   1.862
  332    HA   LEU  45           HA       LEU  45   4.195   3.174   3.174
  333   1HB   LEU  45          1HB       LEU  45   1.351   2.040   2.040
  334   2HB   LEU  45          2HB       LEU  45   1.875   3.196   3.196
  335    HG   LEU  45           HG       LEU  45   1.763   1.079   1.079
  336   1HD1  LEU  45          1HD2      LEU  45   3.602   2.569   2.569
  337   2HD1  LEU  45          2HD2      LEU  45   4.763   1.731   1.731
  338   3HD1  LEU  45          3HD2      LEU  45   3.963   0.851   0.851
  339   1HD2  LEU  45          1HD1      LEU  45   2.075  -0.431  -0.431
  340   2HD2  LEU  45          2HD1      LEU  45   3.013  -0.941  -0.941
  341   3HD2  LEU  45          3HD1      LEU  45   3.832  -0.141  -0.141
  342    H    GLY  46           H        GLY  46   4.541   5.167   5.167
  343   1HA   GLY  46          1HA       GLY  46   2.687   6.598   6.598
  344   2HA   GLY  46          2HA       GLY  46   4.221   7.186   7.186
  345    H    LEU  47           H        LEU  47   1.182   6.172   6.172
  346    HA   LEU  47           HA       LEU  47   0.549   8.935   8.935
  347   1HB   LEU  47          1HB       LEU  47   0.366   8.478   8.478
  348   2HB   LEU  47          2HB       LEU  47   2.011   8.476   8.476
  349    HG   LEU  47           HG       LEU  47   0.543   5.809   5.809
  350   1HD1  LEU  47          3HD1      LEU  47   0.266   7.124   7.124
  351   2HD1  LEU  47          1HD1      LEU  47   2.022   7.417   7.417
  352   3HD1  LEU  47          2HD1      LEU  47   1.378   5.764   5.764
  353   1HD2  LEU  47          3HD2      LEU  47   3.544   6.531   6.531
  354   2HD2  LEU  47          1HD2      LEU  47   2.740   5.574   5.574
  355   3HD2  LEU  47          2HD2      LEU  47   2.848   4.934   4.934
  356    H    ALA  48           H        ALA  48  -0.433   5.504   5.504
  357    HA   ALA  48           HA       ALA  48  -3.215   6.217   6.217
  358   1HB   ALA  48          3HB       ALA  48  -2.752   4.730   4.730
  359   2HB   ALA  48          1HB       ALA  48  -4.320   4.961   4.961
  360   3HB   ALA  48          2HB       ALA  48  -3.433   6.365   6.365
  361    HXT  ALA  48           HO        OH  49  -2.772   3.421   3.421

  Start of MODEL    4
    1   1H    LYS   1          1H        LYS   1  -9.033   0.342   0.342
    2   2H    LYS   1          2H        LYS   1  -8.728  -0.086  -0.086
    3   3H    LYS   1          3H        LYS   1  -8.216   1.376   1.376
    4    HA   LYS   1           HA       LYS   1 -10.447   2.169   2.169
    5   1HB   LYS   1          1HB       LYS   1  -9.300   2.628   2.628
    6   2HB   LYS   1          2HB       LYS   1  -9.761   1.075   1.075
    7   1HG   LYS   1          1HG       LYS   1 -11.108   2.812   2.812
    8   2HG   LYS   1          2HG       LYS   1 -12.133   1.728   1.728
    9   1HD   LYS   1          1HD       LYS   1 -12.954   3.959   3.959
   10   2HD   LYS   1          2HD       LYS   1 -12.351   3.413   3.413
   11   1HE   LYS   1          1HE       LYS   1 -10.251   4.789   4.789
   12   2HE   LYS   1          2HE       LYS   1 -10.752   5.243   5.243
   13   1HZ   LYS   1          1HZ       LYS   1 -11.277   6.953   6.953
   14   2HZ   LYS   1          2HZ       LYS   1 -12.162   5.939   5.939
   15    H    LYS   2           H        LYS   2 -12.078   1.307   1.307
   16    HA   LYS   2           HA       LYS   2 -14.016   0.166   0.166
   17   1HB   LYS   2          1HB       LYS   2 -14.027  -1.188  -1.188
   18   2HB   LYS   2          2HB       LYS   2 -15.351  -1.121  -1.121
   19   1HG   LYS   2          1HG       LYS   2 -14.125   1.279   1.279
   20   2HG   LYS   2          2HG       LYS   2 -15.624   0.459   0.459
   21   1HD   LYS   2          1HD       LYS   2 -16.626   1.200   1.200
   22   2HD   LYS   2          2HD       LYS   2 -15.114   2.003   2.003
   23   1HE   LYS   2          1HE       LYS   2 -16.582   3.727   3.727
   24   2HE   LYS   2          2HE       LYS   2 -15.368   3.527   3.527
   25   1HZ   LYS   2          1HZ       LYS   2 -16.964   2.238   2.238
   26   2HZ   LYS   2          2HZ       LYS   2 -17.571   3.713   3.713
   27    H    LYS   3           H        LYS   3 -13.713  -1.124  -1.124
   28    HA   LYS   3           HA       LYS   3 -13.084  -2.873  -2.873
   29   1HB   LYS   3          1HB       LYS   3 -12.881  -4.759  -4.759
   30   2HB   LYS   3          2HB       LYS   3 -12.836  -5.225  -5.225
   31   1HG   LYS   3          1HG       LYS   3 -15.249  -3.977  -3.977
   32   2HG   LYS   3          2HG       LYS   3 -15.021  -5.680  -5.680
   33   1HD   LYS   3          1HD       LYS   3 -15.033  -5.168  -5.168
   34   2HD   LYS   3          2HD       LYS   3 -15.327  -3.470  -3.470
   35   1HE   LYS   3          1HE       LYS   3 -17.223  -5.779  -5.779
   36   2HE   LYS   3          2HE       LYS   3 -17.392  -4.803  -4.803
   37   1HZ   LYS   3          1HZ       LYS   3 -18.799  -4.019  -4.019
   38   2HZ   LYS   3          2HZ       LYS   3 -17.530  -3.768  -3.768
   39    H    CYS   4           H        CYS   4 -11.347  -1.465  -1.465
   40    HA   CYS   4           HA       CYS   4  -8.571  -2.183  -2.183
   41   1HB   CYS   4          2HB       CYS   4  -8.519   0.152   0.152
   42   2HB   CYS   4          1HB       CYS   4  -9.520  -0.026  -0.026
   43    H    ILE   5           H        ILE   5  -7.128  -0.616  -0.616
   44    HA   ILE   5           HA       ILE   5  -7.180  -1.099  -1.099
   45    HB   ILE   5           HB       ILE   5  -4.787  -0.454  -0.454
   46   1HG1  ILE   5          1HG1      ILE   5  -5.988  -3.082  -3.082
   47   2HG1  ILE   5          2HG1      ILE   5  -4.877  -2.553  -2.553
   48   1HG2  ILE   5          2HG2      ILE   5  -4.593   0.440   0.440
   49   2HG2  ILE   5          3HG2      ILE   5  -4.840  -1.198  -1.198
   50   3HG2  ILE   5          1HG2      ILE   5  -3.401  -0.820  -0.820
   51   1HD1  ILE   5          1HD1      ILE   5  -2.926  -2.969  -2.969
   52   2HD1  ILE   5          2HD1      ILE   5  -4.057  -3.529  -3.529
   53   3HD1  ILE   5          3HD1      ILE   5  -3.915  -4.422  -4.422
   54    H    ALA   6           H        ALA   6  -8.016   0.770   0.770
   55    HA   ALA   6           HA       ALA   6  -7.470   3.487   3.487
   56   1HB   ALA   6          2HB       ALA   6  -9.872   3.012   3.012
   57   2HB   ALA   6          3HB       ALA   6  -9.738   2.769   2.769
   58   3HB   ALA   6          1HB       ALA   6  -9.407   4.368   4.368
   59    H    LYS   7           H        LYS   7  -5.338   2.915   2.915
   60    HA   LYS   7           HA       LYS   7  -4.730   4.376   4.376
   61   1HB   LYS   7          1HB       LYS   7  -5.381   2.082   2.082
   62   2HB   LYS   7          2HB       LYS   7  -4.170   1.328   1.328
   63   1HG   LYS   7          1HG       LYS   7  -2.354   2.614   2.614
   64   2HG   LYS   7          2HG       LYS   7  -3.595   3.345   3.345
   65   1HD   LYS   7          1HD       LYS   7  -4.262   1.026   1.026
   66   2HD   LYS   7          2HD       LYS   7  -3.063   0.315   0.315
   67   1HE   LYS   7          1HE       LYS   7  -2.070   0.332   0.332
   68   2HE   LYS   7          2HE       LYS   7  -1.208   1.550   1.550
   69   1HZ   LYS   7          1HZ       LYS   7  -1.789   2.295   2.295
   70   2HZ   LYS   7          2HZ       LYS   7  -3.386   2.074   2.074
   71    H    ASP   8           H        ASP   8  -2.979   5.569   5.569
   72    HA   ASP   8           HA       ASP   8  -1.205   4.927   4.927
   73   1HB   ASP   8          1HB       ASP   8  -1.094   6.910   6.910
   74   2HB   ASP   8          2HB       ASP   8  -0.119   6.938   6.938
   75    HD1  ASP   8           HD2      ASP   8  -2.455   8.185   8.185
   76    H    TYR   9           H        TYR   9   0.334   3.297   3.297
   77    HA   TYR   9           HA       TYR   9   2.147   2.302   2.302
   78   1HB   TYR   9          2HB       TYR   9   2.242   3.067   3.067
   79   2HB   TYR   9          1HB       TYR   9   3.511   2.318   2.318
   80    HD1  TYR   9           HD1      TYR   9   4.869   3.704   3.704
   81    HD2  TYR   9           HD2      TYR   9   2.184   5.500   5.500
   82    HE1  TYR   9           HE1      TYR   9   6.036   5.851   5.851
   83    HE2  TYR   9           HE2      TYR   9   3.320   7.634   7.634
   84    HH   TYR   9           HH       TYR   9   5.001   8.733   8.733
   85    H    GLY  10           H        GLY  10  -0.417   1.362   1.362
   86   1HA   GLY  10          1HA       GLY  10  -0.856  -0.278  -0.278
   87   2HA   GLY  10          2HA       GLY  10  -2.032  -0.027  -0.027
   88    H    ARG  11           H        ARG  11   0.285  -1.940  -1.940
   89    HA   ARG  11           HA       ARG  11   1.281  -3.771  -3.771
   90   1HB   ARG  11          1HB       ARG  11   0.594  -3.985  -3.985
   91   2HB   ARG  11          2HB       ARG  11  -0.992  -4.585  -4.585
   92   1HG   ARG  11          1HG       ARG  11   0.471  -6.364  -6.364
   93   2HG   ARG  11          2HG       ARG  11  -0.050  -6.707  -6.707
   94   1HD   ARG  11          1HD       ARG  11   2.183  -5.997  -5.997
   95   2HD   ARG  11          2HD       ARG  11   2.724  -5.509  -5.509
   96   1HH1  ARG  11          2HH2      ARG  11   4.063  -6.391  -6.391
   97   2HH1  ARG  11          1HH2      ARG  11   4.888  -7.916  -7.916
   98   1HH2  ARG  11          1HH1      ARG  11   2.919  -9.991  -9.991
   99   2HH2  ARG  11          2HH1      ARG  11   4.278  -9.828  -9.828
  100    H    CYS  12           H        CYS  12   0.793  -3.569  -3.569
  101    HA   CYS  12           HA       CYS  12  -1.412  -4.792  -4.792
  102   1HB   CYS  12          2HB       CYS  12  -0.660  -3.777  -3.777
  103   2HB   CYS  12          1HB       CYS  12  -0.354  -2.643  -2.643
  104    H    LYS  13           H        LYS  13  -0.791  -5.858  -5.858
  105    HA   LYS  13           HA       LYS  13   1.330  -7.974  -7.974
  106   1HB   LYS  13          1HB       LYS  13  -0.847  -8.979  -8.979
  107   2HB   LYS  13          2HB       LYS  13  -1.573  -8.910  -8.910
  108   1HG   LYS  13          1HG       LYS  13   0.323 -10.467 -10.467
  109   2HG   LYS  13          2HG       LYS  13   0.932 -10.527 -10.527
  110   1HD   LYS  13          1HD       LYS  13  -1.322 -11.494 -11.494
  111   2HD   LYS  13          2HD       LYS  13  -1.866 -11.382 -11.382
  112   1HE   LYS  13          1HE       LYS  13  -1.259 -13.681 -13.681
  113   2HE   LYS  13          2HE       LYS  13  -0.018 -12.995 -12.995
  114   1HZ   LYS  13          1HZ       LYS  13   0.898 -14.362 -14.362
  115   2HZ   LYS  13          2HZ       LYS  13   0.211 -13.445 -13.445
  116    H    TRP  14           H        TRP  14   1.672  -9.062  -9.062
  117    HA   TRP  14           HA       TRP  14   0.979  -7.513  -7.513
  118   1HB   TRP  14          1HB       TRP  14   3.326  -9.434  -9.434
  119   2HB   TRP  14          2HB       TRP  14   2.902  -8.647  -8.647
  120    HD1  TRP  14           HD1      TRP  14   2.456  -5.540  -5.540
  121    HE1  TRP  14           HE1      TRP  14   4.652  -4.206  -4.206
  122    HE3  TRP  14           HE3      TRP  14   5.760  -9.446  -9.446
  123    HZ2  TRP  14           HZ2      TRP  14   7.420  -4.866  -4.866
  124    HZ3  TRP  14           HZ3      TRP  14   8.171  -9.011  -9.011
  125    HH2  TRP  14           HH2      TRP  14   8.989  -6.757  -6.757
  126    H    GLY  15           H        GLY  15  -0.883  -8.397  -8.397
  127   1HA   GLY  15          1HA       GLY  15  -2.300 -10.213 -10.213
  128   2HA   GLY  15          2HA       GLY  15  -1.304 -11.433 -11.433
  129    H    GLY  16           H        GLY  16  -2.881  -8.461  -8.461
  130   1HA   GLY  16          1HA       GLY  16  -4.776  -9.968  -9.968
  131   2HA   GLY  16          2HA       GLY  16  -3.587  -8.832  -8.832
  132    H    THR  17           H        THR  17  -5.159  -7.695  -7.695
  133    HA   THR  17           HA       THR  17  -7.275  -6.270  -6.270
  134    HB   THR  17           HB       THR  17  -6.123  -4.495  -4.495
  135    HG1  THR  17           HG1      THR  17  -5.686  -6.573  -6.573
  136   1HG2  THR  17          1HG2      THR  17  -8.225  -4.083  -4.083
  137   2HG2  THR  17          2HG2      THR  17  -8.946  -5.564  -5.564
  138   3HG2  THR  17          3HG2      THR  17  -8.380  -4.296  -4.296
  139    HA   PRO  18           HA       PRO  18  -4.838  -3.653  -3.653
  140   1HB   PRO  18          1HB       PRO  18  -6.627  -1.501  -1.501
  141   2HB   PRO  18          2HB       PRO  18  -6.809  -3.122  -3.122
  142   1HG   PRO  18          1HG       PRO  18  -7.933  -2.146  -2.146
  143   2HG   PRO  18          2HG       PRO  18  -8.910  -2.710  -2.710
  144   1HD   PRO  18          1HD       PRO  18  -8.307  -4.573  -4.573
  145   2HD   PRO  18          2HD       PRO  18  -7.799  -4.993  -4.993
  146    H    CYS  19           H        CYS  19  -6.142  -2.018  -2.018
  147    HA   CYS  19           HA       CYS  19  -5.242  -0.329  -0.329
  148   1HB   CYS  19          1HB       CYS  19  -3.299   0.769   0.769
  149   2HB   CYS  19          2HB       CYS  19  -3.427   1.249   1.249
  150    H    CYS  20           H        CYS  20  -6.103   1.740   1.740
  151    HA   CYS  20           HA       CYS  20  -8.378   1.805   1.805
  152   1HB   CYS  20          1HB       CYS  20  -8.277   2.054   2.054
  153   2HB   CYS  20          2HB       CYS  20  -8.505   3.669   3.669
  154    H    ARG  21           H        ARG  21  -6.524   4.654   4.654
  155    HA   ARG  21           HA       ARG  21  -7.677   6.223   6.223
  156   1HB   ARG  21          1HB       ARG  21  -7.495   7.166   7.166
  157   2HB   ARG  21          2HB       ARG  21  -8.082   8.113   8.113
  158   1HG   ARG  21          1HG       ARG  21  -9.437   5.505   5.505
  159   2HG   ARG  21          2HG       ARG  21  -9.834   7.090   7.090
  160   1HD   ARG  21          1HD       ARG  21 -10.468   7.816   7.816
  161   2HD   ARG  21          2HD       ARG  21 -10.113   6.201   6.201
  162   1HH1  ARG  21          2HH2      ARG  21 -10.814   4.313   4.313
  163   2HH1  ARG  21          1HH2      ARG  21 -12.314   3.277   3.277
  164   1HH2  ARG  21          1HH1      ARG  21 -14.099   5.774   5.774
  165   2HH2  ARG  21          2HH1      ARG  21 -14.044   4.049   4.049
  166    H    GLY  22           H        GLY  22  -5.629   5.677   5.677
  167   1HA   GLY  22          1HA       GLY  22  -3.610   6.645   6.645
  168   2HA   GLY  22          2HA       GLY  22  -3.712   7.970   7.970
  169    H    ARG  23           H        ARG  23  -3.061   4.460   4.460
  170    HA   ARG  23           HA       ARG  23  -0.789   4.783   4.783
  171   1HB   ARG  23          1HB       ARG  23  -3.322   3.179   3.179
  172   2HB   ARG  23          2HB       ARG  23  -1.802   2.614   2.614
  173   1HG   ARG  23          1HG       ARG  23  -1.468   4.593   4.593
  174   2HG   ARG  23          2HG       ARG  23  -2.795   5.442   5.442
  175   1HD   ARG  23          1HD       ARG  23  -4.374   3.527   3.527
  176   2HD   ARG  23          2HD       ARG  23  -3.026   3.027   3.027
  177   1HH1  ARG  23          2HH2      ARG  23  -5.955   4.509   4.509
  178   2HH1  ARG  23          1HH2      ARG  23  -6.919   5.711   5.711
  179   1HH2  ARG  23          1HH1      ARG  23  -4.235   6.604   6.604
  180   2HH2  ARG  23          2HH1      ARG  23  -6.014   6.810   6.810
  181    H    GLY  24           H        GLY  24   0.528   3.006   3.006
  182   1HA   GLY  24          1HA       GLY  24   1.199   1.541   1.541
  183   2HA   GLY  24          2HA       GLY  24   2.289   1.973   1.973
  184    H    CYS  25           H        CYS  25   2.876   0.354   0.354
  185    HA   CYS  25           HA       CYS  25   2.013  -1.369  -1.369
  186   1HB   CYS  25          1HB       CYS  25   0.323  -2.680  -2.680
  187   2HB   CYS  25          2HB       CYS  25   1.501  -3.145  -3.145
  188    H    ILE  26           H        ILE  26   4.033  -1.466  -1.466
  189    HA   ILE  26           HA       ILE  26   6.179  -2.807  -2.807
  190    HB   ILE  26           HB       ILE  26   6.805  -0.805  -0.805
  191   1HG1  ILE  26          1HG1      ILE  26   6.016   0.606   0.606
  192   2HG1  ILE  26          2HG1      ILE  26   7.757   0.726   0.726
  193   1HG2  ILE  26          3HG2      ILE  26   8.643  -2.484  -2.484
  194   2HG2  ILE  26          1HG2      ILE  26   9.205  -1.002  -1.002
  195   3HG2  ILE  26          2HG2      ILE  26   8.511  -2.348  -2.348
  196   1HD1  ILE  26          2HD1      ILE  26   7.796  -0.767  -0.767
  197   2HD1  ILE  26          3HD1      ILE  26   6.015  -0.769  -0.769
  198   3HD1  ILE  26          1HD1      ILE  26   6.874   0.747   0.747
  199    H    CYS  27           H        CYS  27   7.095  -4.275  -4.275
  200    HA   CYS  27           HA       CYS  27   6.353  -5.281  -5.281
  201   1HB   CYS  27          1HB       CYS  27   6.948  -7.379  -7.379
  202   2HB   CYS  27          2HB       CYS  27   6.409  -7.570  -7.570
  203    H    SER  28           H        SER  28   8.267  -7.234  -7.234
  204    HA   SER  28           HA       SER  28  10.717  -5.466  -5.466
  205   1HB   SER  28          1HB       SER  28   9.742  -6.249  -6.249
  206   2HB   SER  28          2HB       SER  28   9.635  -7.957  -7.957
  207    HG   SER  28           HG       SER  28  11.207  -7.480  -7.480
  208    H    ILE  29           H        ILE  29  12.297  -7.140  -7.140
  209    HA   ILE  29           HA       ILE  29  13.324  -8.678  -8.678
  210    HB   ILE  29           HB       ILE  29  15.717  -8.551  -8.551
  211   1HG1  ILE  29          1HG1      ILE  29  16.421  -6.400  -6.400
  212   2HG1  ILE  29          2HG1      ILE  29  14.755  -5.922  -5.922
  213   1HG2  ILE  29          2HG2      ILE  29  14.953  -7.596  -7.596
  214   2HG2  ILE  29          3HG2      ILE  29  14.414  -6.108  -6.108
  215   3HG2  ILE  29          1HG2      ILE  29  16.151  -6.529  -6.529
  216   1HD1  ILE  29          3HD1      ILE  29  16.142  -8.336  -8.336
  217   2HD1  ILE  29          1HD1      ILE  29  15.852  -6.744  -6.744
  218   3HD1  ILE  29          2HD1      ILE  29  14.474  -7.786  -7.786
  219    H    MET  30           H        MET  30  11.685  -9.804  -9.804
  220    HA   MET  30           HA       MET  30  12.395 -12.341 -12.341
  221   1HB   MET  30          1HB       MET  30  12.489 -10.829 -10.829
  222   2HB   MET  30          2HB       MET  30  10.805 -10.496 -10.496
  223   1HG   MET  30          1HG       MET  30  11.165 -12.234 -12.234
  224   2HG   MET  30          2HG       MET  30  10.339 -12.997 -12.997
  225   1HE   MET  30          3HE       MET  30  11.827 -14.654 -14.654
  226   2HE   MET  30          2HE       MET  30  11.114 -15.459 -15.459
  227   3HE   MET  30          1HE       MET  30  12.794 -15.829 -15.829
  228    H    GLY  31           H        GLY  31   9.740  -9.955  -9.955
  229   1HA   GLY  31          2HA       GLY  31   7.532 -10.298 -10.298
  230   2HA   GLY  31          1HA       GLY  31   7.745 -11.949 -11.949
  231    H    THR  32           H        THR  32   8.621 -10.428 -10.428
  232    HA   THR  32           HA       THR  32   6.003 -10.802 -10.802
  233    HB   THR  32           HB       THR  32   6.297 -11.127 -11.127
  234    HG1  THR  32           HG1      THR  32   8.295 -11.619 -11.619
  235   1HG2  THR  32          2HG2      THR  32   6.431 -13.410 -13.410
  236   2HG2  THR  32          3HG2      THR  32   8.207 -13.317 -13.317
  237   3HG2  THR  32          1HG2      THR  32   7.304 -13.574 -13.574
  238    H    ASN  33           H        ASN  33   5.604  -9.108  -9.108
  239    HA   ASN  33           HA       ASN  33   7.601  -6.975  -6.975
  240   1HB   ASN  33          2HB       ASN  33   6.542  -7.144  -7.144
  241   2HB   ASN  33          1HB       ASN  33   7.282  -8.615  -8.615
  242   1HD2  ASN  33          1HD2      ASN  33   4.059  -9.832  -9.832
  243   2HD2  ASN  33          2HD2      ASN  33   5.756  -9.299  -9.299
  244    H    CYS  34           H        CYS  34   4.795  -6.857  -6.857
  245    HA   CYS  34           HA       CYS  34   5.324  -4.470  -4.470
  246   1HB   CYS  34          1HB       CYS  34   3.645  -6.551  -6.551
  247   2HB   CYS  34          2HB       CYS  34   2.578  -5.239  -5.239
  248    H    GLU  35           H        GLU  35   3.414  -3.250  -3.250
  249    HA   GLU  35           HA       GLU  35   1.974  -1.496  -1.496
  250   1HB   GLU  35          1HB       GLU  35   3.392   0.608   0.608
  251   2HB   GLU  35          2HB       GLU  35   4.162  -0.668  -0.668
  252   1HG   GLU  35          1HG       GLU  35   5.746  -1.117  -1.117
  253   2HG   GLU  35          2HG       GLU  35   4.869  -0.054  -0.054
  254    HE1  GLU  35           HE2      GLU  35   7.145   1.539   1.539
  255    H    CYS  36           H        CYS  36   0.561   0.017   0.017
  256    HA   CYS  36           HA       CYS  36   0.516  -0.117  -0.117
  257   1HB   CYS  36          1HB       CYS  36  -1.572   0.852   0.852
  258   2HB   CYS  36          2HB       CYS  36  -1.606   1.368   1.368
  259    H    LYS  37           H        LYS  37   2.312   1.200   1.200
  260    HA   LYS  37           HA       LYS  37   3.249   3.259   3.259
  261   1HB   LYS  37          1HB       LYS  37   4.488   2.080   2.080
  262   2HB   LYS  37          2HB       LYS  37   3.770   3.143   3.143
  263   1HG   LYS  37          1HG       LYS  37   4.954   5.094   5.094
  264   2HG   LYS  37          2HG       LYS  37   5.301   4.280   4.280
  265   1HD   LYS  37          1HD       LYS  37   7.363   4.426   4.426
  266   2HD   LYS  37          2HD       LYS  37   6.900   2.753   2.753
  267   1HE   LYS  37          1HE       LYS  37   7.814   2.974   2.974
  268   2HE   LYS  37          2HE       LYS  37   6.093   2.685   2.685
  269   1HZ   LYS  37          1HZ       LYS  37   6.851   4.435   4.435
  270   2HZ   LYS  37          2HZ       LYS  37   5.770   5.049   5.049
  271    HA   PRO  38           HA       PRO  38   0.154   6.235   6.235
  272   1HB   PRO  38          1HB       PRO  38   2.257   8.477   8.477
  273   2HB   PRO  38          2HB       PRO  38   0.850   8.316   8.316
  274   1HG   PRO  38          1HG       PRO  38   3.336   7.525   7.525
  275   2HG   PRO  38          2HG       PRO  38   1.917   6.575   6.575
  276   1HD   PRO  38          1HD       PRO  38   3.994   5.891   5.891
  277   2HD   PRO  38          2HD       PRO  38   2.972   4.823   4.823
  278    H    ARG  39           H        ARG  39   2.414   7.623   7.623
  279    HA   ARG  39           HA       ARG  39   0.108   8.280   8.280
  280   1HB   ARG  39          1HB       ARG  39   0.902  10.569  10.569
  281   2HB   ARG  39          2HB       ARG  39   0.059  10.322  10.322
  282   1HG   ARG  39          1HG       ARG  39   2.247  10.411  10.411
  283   2HG   ARG  39          2HG       ARG  39   3.116  10.623  10.623
  284   1HD   ARG  39          1HD       ARG  39   2.922  12.786  12.786
  285   2HD   ARG  39          2HD       ARG  39   1.933  12.805  12.805
  286   1HH1  ARG  39          2HH2      ARG  39   0.167  13.356  13.356
  287   2HH1  ARG  39          1HH2      ARG  39  -1.457  14.061  14.061
  288   1HH2  ARG  39          1HH1      ARG  39  -0.953  13.507  13.507
  289   2HH2  ARG  39          2HH1      ARG  39  -2.044  14.138  14.138
  290    H    LEU  40           H        LEU  40   0.642   7.231   7.231
  291    HA   LEU  40           HA       LEU  40   3.479   7.123   7.123
  292   1HB   LEU  40          1HB       LEU  40   2.917   4.915   4.915
  293   2HB   LEU  40          2HB       LEU  40   1.461   4.866   4.866
  294    HG   LEU  40           HG       LEU  40   2.851   4.908   4.908
  295   1HD1  LEU  40          2HD1      LEU  40   4.999   5.907   5.907
  296   2HD1  LEU  40          3HD1      LEU  40   5.271   4.495   4.495
  297   3HD1  LEU  40          1HD1      LEU  40   5.315   4.321   4.321
  298   1HD2  LEU  40          3HD2      LEU  40   1.967   2.768   2.768
  299   2HD2  LEU  40          1HD2      LEU  40   3.538   2.514   2.514
  300   3HD2  LEU  40          2HD2      LEU  40   3.431   2.532   2.532
  301    H    ILE  41           H        ILE  41   0.680   6.548   6.548
  302    HA   ILE  41           HA       ILE  41   0.991   7.969   7.969
  303    HB   ILE  41           HB       ILE  41  -1.132   7.006   7.006
  304   1HG1  ILE  41          1HG1      ILE  41  -1.255   5.215   5.215
  305   2HG1  ILE  41          2HG1      ILE  41  -2.244   6.647   6.647
  306   1HG2  ILE  41          3HG2      ILE  41   1.066   5.914   5.914
  307   2HG2  ILE  41          1HG2      ILE  41   0.826   4.816   4.816
  308   3HG2  ILE  41          2HG2      ILE  41  -0.277   4.760   4.760
  309   1HD1  ILE  41          2HD1      ILE  41  -3.301   5.654   5.654
  310   2HD1  ILE  41          3HD1      ILE  41  -2.357   4.161   4.161
  311   3HD1  ILE  41          1HD1      ILE  41  -3.560   4.671   4.671
  312    H    MET  42           H        MET  42   0.643   9.146   9.146
  313    HA   MET  42           HA       MET  42  -1.182  11.448  11.448
  314   1HB   MET  42          1HB       MET  42  -0.607  10.817  10.817
  315   2HB   MET  42          2HB       MET  42  -1.360  12.298  12.298
  316   1HG   MET  42          1HG       MET  42  -2.536   9.477   9.477
  317   2HG   MET  42          2HG       MET  42  -3.049  10.656  10.656
  318   1HE   MET  42          2HE       MET  42  -5.559  10.227  10.227
  319   2HE   MET  42          1HE       MET  42  -5.986  10.556  10.556
  320   3HE   MET  42          3HE       MET  42  -4.905   9.188   9.188
  321    H    GLU  43           H        GLU  43   1.805  10.737  10.737
  322    HA   GLU  43           HA       GLU  43   3.134  13.225  13.225
  323   1HB   GLU  43          1HB       GLU  43   3.530  10.742  10.742
  324   2HB   GLU  43          2HB       GLU  43   4.958  11.200  11.200
  325   1HG   GLU  43          1HG       GLU  43   3.204  13.236  13.236
  326   2HG   GLU  43          2HG       GLU  43   4.456  12.294  12.294
  327    HE2  GLU  43           HE2      GLU  43   5.337  15.631  15.631
  328    H    GLY  44           H        GLY  44   2.438  10.976  10.976
  329   1HA   GLY  44          1HA       GLY  44   4.324  11.716  11.716
  330   2HA   GLY  44          2HA       GLY  44   4.500  10.008  10.008
  331    H    LEU  45           H        LEU  45   2.226  12.458  12.458
  332    HA   LEU  45           HA       LEU  45   0.871  10.416  10.416
  333   1HB   LEU  45          1HB       LEU  45  -1.385  11.401  11.401
  334   2HB   LEU  45          2HB       LEU  45  -0.730  10.496  10.496
  335    HG   LEU  45           HG       LEU  45  -0.316  12.506  12.506
  336   1HD1  LEU  45          1HD2      LEU  45  -1.428  14.174  14.174
  337   2HD1  LEU  45          2HD2      LEU  45  -1.178  14.785  14.785
  338   3HD1  LEU  45          3HD2      LEU  45   0.208  14.264  14.264
  339   1HD2  LEU  45          1HD1      LEU  45  -2.573  11.408  11.408
  340   2HD2  LEU  45          2HD1      LEU  45  -2.684  13.145  13.145
  341   3HD2  LEU  45          3HD1      LEU  45  -3.182  12.497  12.497
  342    H    GLY  46           H        GLY  46   2.396  13.431  13.431
  343   1HA   GLY  46          1HA       GLY  46   2.417  14.114  14.114
  344   2HA   GLY  46          2HA       GLY  46   0.811  14.677  14.677
  345    H    LEU  47           H        LEU  47   0.672  16.196  16.196
  346    HA   LEU  47           HA       LEU  47   2.938  18.153  18.153
  347   1HB   LEU  47          1HB       LEU  47   1.546  19.643  19.643
  348   2HB   LEU  47          2HB       LEU  47   0.753  19.132  19.132
  349    HG   LEU  47           HG       LEU  47   0.012  17.954  17.954
  350   1HD1  LEU  47          2HD1      LEU  47  -0.245  20.438  20.438
  351   2HD1  LEU  47          3HD1      LEU  47  -1.259  20.419  20.419
  352   3HD1  LEU  47          1HD1      LEU  47  -1.824  19.633  19.633
  353   1HD2  LEU  47          2HD2      LEU  47  -1.623  18.093  18.093
  354   2HD2  LEU  47          3HD2      LEU  47  -0.909  16.626  16.626
  355   3HD2  LEU  47          1HD2      LEU  47  -2.211  17.457  17.457
  356    H    ALA  48           H        ALA  48   1.507  15.708  15.708
  357    HA   ALA  48           HA       ALA  48   2.296  14.688  14.688
  358   1HB   ALA  48          2HB       ALA  48   4.560  14.601  14.601
  359   2HB   ALA  48          3HB       ALA  48   4.954  16.208  16.208
  360   3HB   ALA  48          1HB       ALA  48   4.628  14.853  14.853
  361    HXT  ALA  48           HO        OH  49   1.615  16.353  16.353

  Start of MODEL    5
    1   1H    LYS   1          1H        LYS   1  -8.556  -2.634  -2.634
    2   2H    LYS   1          2H        LYS   1  -8.937  -2.746  -2.746
    3   3H    LYS   1          3H        LYS   1  -7.373  -2.949  -2.949
    4    HA   LYS   1           HA       LYS   1  -7.887  -4.939  -4.939
    5   1HB   LYS   1          1HB       LYS   1  -7.215  -4.993  -4.993
    6   2HB   LYS   1          2HB       LYS   1  -8.903  -4.968  -4.968
    7   1HG   LYS   1          1HG       LYS   1  -8.064  -7.214  -7.214
    8   2HG   LYS   1          2HG       LYS   1  -9.253  -7.223  -7.223
    9   1HD   LYS   1          1HD       LYS   1  -7.381  -7.156  -7.156
   10   2HD   LYS   1          2HD       LYS   1  -6.180  -7.171  -7.171
   11   1HE   LYS   1          1HE       LYS   1  -8.261  -9.418  -9.418
   12   2HE   LYS   1          2HE       LYS   1  -6.626  -9.407  -9.407
   13   1HZ   LYS   1          1HZ       LYS   1  -6.766 -10.718 -10.718
   14   2HZ   LYS   1          2HZ       LYS   1  -7.314  -9.458  -9.458
   15    H    LYS   2           H        LYS   2  -9.348  -6.253  -6.253
   16    HA   LYS   2           HA       LYS   2 -11.297  -7.131  -7.131
   17   1HB   LYS   2          1HB       LYS   2 -12.123  -7.312  -7.312
   18   2HB   LYS   2          2HB       LYS   2 -12.959  -5.776  -5.776
   19   1HG   LYS   2          1HG       LYS   2 -14.306  -6.767  -6.767
   20   2HG   LYS   2          2HG       LYS   2 -13.473  -8.306  -8.306
   21   1HD   LYS   2          1HD       LYS   2 -14.377  -8.441  -8.441
   22   2HD   LYS   2          2HD       LYS   2 -15.188  -6.885  -6.885
   23   1HE   LYS   2          1HE       LYS   2 -16.570  -7.877  -7.877
   24   2HE   LYS   2          2HE       LYS   2 -15.770  -9.438  -9.438
   25   1HZ   LYS   2          1HZ       LYS   2 -17.888  -9.301  -9.301
   26   2HZ   LYS   2          2HZ       LYS   2 -17.421  -8.001  -8.001
   27    H    LYS   3           H        LYS   3 -11.384  -6.280  -6.280
   28    HA   LYS   3           HA       LYS   3 -11.777  -4.920  -4.920
   29   1HB   LYS   3          1HB       LYS   3 -14.162  -5.168  -5.168
   30   2HB   LYS   3          2HB       LYS   3 -14.059  -3.612  -3.612
   31   1HG   LYS   3          1HG       LYS   3 -13.574  -2.490  -2.490
   32   2HG   LYS   3          2HG       LYS   3 -13.605  -4.061  -4.061
   33   1HD   LYS   3          1HD       LYS   3 -16.017  -4.377  -4.377
   34   2HD   LYS   3          2HD       LYS   3 -15.988  -2.805  -2.805
   35   1HE   LYS   3          1HE       LYS   3 -15.501  -1.672  -1.672
   36   2HE   LYS   3          2HE       LYS   3 -15.523  -3.248  -3.248
   37   1HZ   LYS   3          1HZ       LYS   3 -17.803  -2.062  -2.062
   38   2HZ   LYS   3          2HZ       LYS   3 -17.823  -3.521  -3.521
   39    H    CYS   4           H        CYS   4  -9.737  -4.083  -4.083
   40    HA   CYS   4           HA       CYS   4  -7.946  -2.697  -2.697
   41   1HB   CYS   4          1HB       CYS   4  -8.109  -0.416  -0.416
   42   2HB   CYS   4          2HB       CYS   4  -8.885  -1.402  -1.402
   43    H    ILE   5           H        ILE   5  -7.143  -0.675  -0.675
   44    HA   ILE   5           HA       ILE   5  -7.920  -0.765  -0.765
   45    HB   ILE   5           HB       ILE   5  -5.142  -0.363  -0.363
   46   1HG1  ILE   5          1HG1      ILE   5  -6.533  -2.991  -2.991
   47   2HG1  ILE   5          2HG1      ILE   5  -5.621  -2.498  -2.498
   48   1HG2  ILE   5          2HG2      ILE   5  -5.541   0.380   0.380
   49   2HG2  ILE   5          3HG2      ILE   5  -5.821  -1.320  -1.320
   50   3HG2  ILE   5          1HG2      ILE   5  -4.231  -0.790  -0.790
   51   1HD1  ILE   5          2HD1      ILE   5  -3.440  -2.686  -2.686
   52   2HD1  ILE   5          3HD1      ILE   5  -4.362  -3.326  -3.326
   53   3HD1  ILE   5          1HD1      ILE   5  -4.328  -4.220  -4.220
   54    H    ALA   6           H        ALA   6  -8.351   1.237   1.237
   55    HA   ALA   6           HA       ALA   6  -7.605   3.776   3.776
   56   1HB   ALA   6          3HB       ALA   6 -10.020   3.387   3.387
   57   2HB   ALA   6          1HB       ALA   6  -9.998   3.369   3.369
   58   3HB   ALA   6          2HB       ALA   6  -9.574   4.854   4.854
   59    H    LYS   7           H        LYS   7  -5.507   3.133   3.133
   60    HA   LYS   7           HA       LYS   7  -5.222   4.257   4.257
   61   1HB   LYS   7          1HB       LYS   7  -3.485   2.561   2.561
   62   2HB   LYS   7          2HB       LYS   7  -4.864   1.823   1.823
   63   1HG   LYS   7          1HG       LYS   7  -2.214   2.665   2.665
   64   2HG   LYS   7          2HG       LYS   7  -2.902   1.080   1.080
   65   1HD   LYS   7          1HD       LYS   7  -3.298   1.200   1.200
   66   2HD   LYS   7          2HD       LYS   7  -4.764   1.955   1.955
   67   1HE   LYS   7          1HE       LYS   7  -3.857   4.219   4.219
   68   2HE   LYS   7          2HE       LYS   7  -2.250   3.563   3.563
   69   1HZ   LYS   7          1HZ       LYS   7  -3.511   4.099   4.099
   70   2HZ   LYS   7          2HZ       LYS   7  -4.746   3.115   3.115
   71    H    ASP   8           H        ASP   8  -3.032   4.489   4.489
   72    HA   ASP   8           HA       ASP   8  -1.220   5.961   5.961
   73   1HB   ASP   8          1HB       ASP   8  -1.943   7.879   7.879
   74   2HB   ASP   8          2HB       ASP   8  -1.580   7.045   7.045
   75    HD1  ASP   8           HD2      ASP   8   1.467   8.441   8.441
   76    H    TYR   9           H        TYR   9  -0.007   3.717   3.717
   77    HA   TYR   9           HA       TYR   9   1.675   2.676   2.676
   78   1HB   TYR   9          2HB       TYR   9   2.160   3.473   3.473
   79   2HB   TYR   9          1HB       TYR   9   3.285   2.858   2.858
   80    HD1  TYR   9           HD1      TYR   9   2.876   4.809   4.809
   81    HD2  TYR   9           HD2      TYR   9   2.716   5.645   5.645
   82    HE1  TYR   9           HE1      TYR   9   3.651   7.073   7.073
   83    HE2  TYR   9           HE2      TYR   9   3.535   7.893   7.893
   84    HH   TYR   9           HH       TYR   9   4.131   9.387   9.387
   85    H    GLY  10           H        GLY  10  -0.218   1.392   1.392
   86   1HA   GLY  10          1HA       GLY  10  -1.495  -0.226  -0.226
   87   2HA   GLY  10          2HA       GLY  10  -1.532  -0.563  -0.563
   88    H    ARG  11           H        ARG  11  -1.166  -2.748  -2.748
   89    HA   ARG  11           HA       ARG  11   1.682  -3.518  -3.518
   90   1HB   ARG  11          1HB       ARG  11  -0.290  -4.828  -4.828
   91   2HB   ARG  11          2HB       ARG  11   1.289  -5.466  -5.466
   92   1HG   ARG  11          1HG       ARG  11   0.769  -2.799  -2.799
   93   2HG   ARG  11          2HG       ARG  11   1.213  -4.328  -4.328
   94   1HD   ARG  11          1HD       ARG  11   3.409  -4.305  -4.305
   95   2HD   ARG  11          2HD       ARG  11   2.955  -2.688  -2.688
   96   1HH1  ARG  11          2HH2      ARG  11   5.377  -2.954  -2.954
   97   2HH1  ARG  11          1HH2      ARG  11   6.535  -2.204  -2.204
   98   1HH2  ARG  11          1HH1      ARG  11   4.091  -1.779  -1.779
   99   2HH2  ARG  11          2HH1      ARG  11   5.850  -1.582  -1.582
  100    H    CYS  12           H        CYS  12   0.839  -3.452  -3.452
  101    HA   CYS  12           HA       CYS  12  -1.356  -4.972  -4.972
  102   1HB   CYS  12          2HB       CYS  12  -0.681  -4.171  -4.171
  103   2HB   CYS  12          1HB       CYS  12  -0.533  -2.944  -2.944
  104    H    LYS  13           H        LYS  13  -0.951  -6.282  -6.282
  105    HA   LYS  13           HA       LYS  13   1.493  -8.038  -8.038
  106   1HB   LYS  13          1HB       LYS  13  -0.369  -9.280  -9.280
  107   2HB   LYS  13          2HB       LYS  13  -1.307  -9.387  -9.387
  108   1HG   LYS  13          1HG       LYS  13   0.657 -10.697 -10.697
  109   2HG   LYS  13          2HG       LYS  13   1.502 -10.577 -10.577
  110   1HD   LYS  13          1HD       LYS  13  -0.424 -11.811 -11.811
  111   2HD   LYS  13          2HD       LYS  13  -1.229 -11.877 -11.877
  112   1HE   LYS  13          1HE       LYS  13  -0.252 -14.046 -14.046
  113   2HE   LYS  13          2HE       LYS  13   0.702 -13.263 -13.263
  114   1HZ   LYS  13          1HZ       LYS  13   1.460 -13.376 -13.376
  115   2HZ   LYS  13          2HZ       LYS  13   2.372 -12.735 -12.735
  116    H    TRP  14           H        TRP  14   1.756  -9.083  -9.083
  117    HA   TRP  14           HA       TRP  14   0.335  -7.944  -7.944
  118   1HB   TRP  14          1HB       TRP  14   3.288  -8.698  -8.698
  119   2HB   TRP  14          2HB       TRP  14   2.471  -8.859  -8.859
  120    HD1  TRP  14           HD1      TRP  14   1.309  -5.534  -5.534
  121    HE1  TRP  14           HE1      TRP  14   2.296  -3.504  -3.504
  122    HE3  TRP  14           HE3      TRP  14   4.667  -8.160  -8.160
  123    HZ2  TRP  14           HZ2      TRP  14   4.341  -3.176  -3.176
  124    HZ3  TRP  14           HZ3      TRP  14   6.129  -6.889  -6.889
  125    HH2  TRP  14           HH2      TRP  14   5.969  -4.436  -4.436
  126    H    GLY  15           H        GLY  15  -1.221  -9.302  -9.302
  127   1HA   GLY  15          1HA       GLY  15  -2.022 -11.661 -11.661
  128   2HA   GLY  15          2HA       GLY  15  -0.818 -12.343 -12.343
  129    H    GLY  16           H        GLY  16  -2.886  -9.520  -9.520
  130   1HA   GLY  16          1HA       GLY  16  -4.842 -10.930 -10.930
  131   2HA   GLY  16          2HA       GLY  16  -3.633  -9.842  -9.842
  132    H    THR  17           H        THR  17  -5.186  -8.562  -8.562
  133    HA   THR  17           HA       THR  17  -6.933  -6.939  -6.939
  134    HB   THR  17           HB       THR  17  -6.030  -5.184  -5.184
  135    HG1  THR  17           HG1      THR  17  -7.118  -6.389  -6.389
  136   1HG2  THR  17          3HG2      THR  17  -8.808  -6.025  -6.025
  137   2HG2  THR  17          1HG2      THR  17  -8.337  -4.770  -4.770
  138   3HG2  THR  17          2HG2      THR  17  -7.840  -4.633  -4.633
  139    HA   PRO  18           HA       PRO  18  -3.425  -4.328  -4.328
  140   1HB   PRO  18          1HB       PRO  18  -4.881  -2.478  -2.478
  141   2HB   PRO  18          2HB       PRO  18  -4.980  -4.177  -4.177
  142   1HG   PRO  18          1HG       PRO  18  -6.813  -2.752  -2.752
  143   2HG   PRO  18          2HG       PRO  18  -7.383  -3.367  -3.367
  144   1HD   PRO  18          1HD       PRO  18  -7.529  -5.033  -5.033
  145   2HD   PRO  18          2HD       PRO  18  -6.706  -5.708  -5.708
  146    H    CYS  19           H        CYS  19  -4.584  -1.610  -1.610
  147    HA   CYS  19           HA       CYS  19  -4.947  -0.730  -0.730
  148   1HB   CYS  19          1HB       CYS  19  -2.756   1.045   1.045
  149   2HB   CYS  19          2HB       CYS  19  -3.270   0.756   0.756
  150    H    CYS  20           H        CYS  20  -6.136   1.171   1.171
  151    HA   CYS  20           HA       CYS  20  -7.469   1.529   1.529
  152   1HB   CYS  20          1HB       CYS  20  -8.440   1.824   1.824
  153   2HB   CYS  20          2HB       CYS  20  -8.642   3.362   3.362
  154    H    ARG  21           H        ARG  21  -8.119   3.649   3.649
  155    HA   ARG  21           HA       ARG  21  -7.503   5.567   5.567
  156   1HB   ARG  21          1HB       ARG  21  -7.107   6.804   6.804
  157   2HB   ARG  21          2HB       ARG  21  -7.785   7.523   7.523
  158   1HG   ARG  21          1HG       ARG  21  -9.788   5.876   5.876
  159   2HG   ARG  21          2HG       ARG  21  -9.071   5.351   5.351
  160   1HD   ARG  21          1HD       ARG  21  -9.164   7.735   7.735
  161   2HD   ARG  21          2HD       ARG  21  -9.922   8.253   8.253
  162   1HH1  ARG  21          2HH2      ARG  21  -9.481   5.942   5.942
  163   2HH1  ARG  21          1HH2      ARG  21 -10.759   5.239   5.239
  164   1HH2  ARG  21          1HH1      ARG  21 -13.378   6.527   6.527
  165   2HH2  ARG  21          2HH1      ARG  21 -12.815   5.549   5.549
  166    H    GLY  22           H        GLY  22  -5.356   4.481   4.481
  167   1HA   GLY  22          1HA       GLY  22  -3.207   5.144   5.144
  168   2HA   GLY  22          2HA       GLY  22  -3.234   6.620   6.620
  169    H    ARG  23           H        ARG  23  -2.098   3.392   3.392
  170    HA   ARG  23           HA       ARG  23  -1.208   3.372   3.372
  171   1HB   ARG  23          1HB       ARG  23  -1.284   1.035   1.035
  172   2HB   ARG  23          2HB       ARG  23  -2.781   1.623   1.623
  173   1HG   ARG  23          1HG       ARG  23  -1.876   0.978   0.978
  174   2HG   ARG  23          2HG       ARG  23  -0.381   0.427   0.427
  175   1HD   ARG  23          1HD       ARG  23  -1.776  -1.203  -1.203
  176   2HD   ARG  23          2HD       ARG  23  -3.189  -0.759  -0.759
  177   1HH1  ARG  23          2HH2      ARG  23  -1.236  -3.008  -3.008
  178   2HH1  ARG  23          1HH2      ARG  23  -0.654  -4.550  -4.550
  179   1HH2  ARG  23          1HH1      ARG  23  -1.166  -3.355  -3.355
  180   2HH2  ARG  23          2HH1      ARG  23  -0.625  -4.732  -4.732
  181    H    GLY  24           H        GLY  24   0.452   1.966   1.966
  182   1HA   GLY  24          1HA       GLY  24   3.106   2.153   2.153
  183   2HA   GLY  24          2HA       GLY  24   3.026   2.245   2.245
  184    H    CYS  25           H        CYS  25   2.640   0.663   0.663
  185    HA   CYS  25           HA       CYS  25   2.611  -1.532  -1.532
  186   1HB   CYS  25          1HB       CYS  25   0.540  -2.277  -2.277
  187   2HB   CYS  25          2HB       CYS  25   1.384  -2.725  -2.725
  188    H    ILE  26           H        ILE  26   4.908  -0.467  -0.467
  189    HA   ILE  26           HA       ILE  26   6.724  -2.503  -2.503
  190    HB   ILE  26           HB       ILE  26   7.498  -0.336  -0.336
  191   1HG1  ILE  26          1HG1      ILE  26   7.575  -0.403  -0.403
  192   2HG1  ILE  26          2HG1      ILE  26   6.593   0.650   0.650
  193   1HG2  ILE  26          3HG2      ILE  26   9.216  -2.341  -2.341
  194   2HG2  ILE  26          1HG2      ILE  26   9.896  -0.841  -0.841
  195   3HG2  ILE  26          2HG2      ILE  26   9.098  -2.051  -2.051
  196   1HD1  ILE  26          1HD1      ILE  26   8.644   1.869   1.869
  197   2HD1  ILE  26          2HD1      ILE  26   9.639   0.886   0.886
  198   3HD1  ILE  26          3HD1      ILE  26   8.388   1.976   1.976
  199    H    CYS  27           H        CYS  27   7.628  -3.935  -3.935
  200    HA   CYS  27           HA       CYS  27   6.538  -4.736  -4.736
  201   1HB   CYS  27          1HB       CYS  27   6.719  -6.709  -6.709
  202   2HB   CYS  27          2HB       CYS  27   6.019  -6.948  -6.948
  203    H    SER  28           H        SER  28   7.370  -7.038  -7.038
  204    HA   SER  28           HA       SER  28  10.298  -7.201  -7.201
  205   1HB   SER  28          1HB       SER  28  10.060  -6.776  -6.776
  206   2HB   SER  28          2HB       SER  28  10.031  -5.566  -5.566
  207    HG   SER  28           HG       SER  28   8.495  -5.168  -5.168
  208    H    ILE  29           H        ILE  29  10.903  -8.590  -8.590
  209    HA   ILE  29           HA       ILE  29  11.321 -10.983 -10.983
  210    HB   ILE  29           HB       ILE  29   9.164 -11.168 -11.168
  211   1HG1  ILE  29          1HG1      ILE  29  11.466 -10.804 -10.804
  212   2HG1  ILE  29          2HG1      ILE  29  11.890  -9.788  -9.788
  213   1HG2  ILE  29          2HG2      ILE  29  10.189 -13.356 -13.356
  214   2HG2  ILE  29          3HG2      ILE  29  11.814 -12.706 -12.706
  215   3HG2  ILE  29          1HG2      ILE  29  10.670 -12.931 -12.931
  216   1HD1  ILE  29          3HD1      ILE  29   9.664  -8.501  -8.501
  217   2HD1  ILE  29          1HD1      ILE  29   9.404  -9.547  -9.547
  218   3HD1  ILE  29          2HD1      ILE  29  10.808  -8.454  -8.454
  219    H    MET  30           H        MET  30  10.235 -10.744 -10.744
  220    HA   MET  30           HA       MET  30   9.612 -12.251 -12.251
  221   1HB   MET  30          1HB       MET  30   7.879 -13.997 -13.997
  222   2HB   MET  30          2HB       MET  30   8.400 -14.330 -14.330
  223   1HG   MET  30          1HG       MET  30  10.238 -14.299 -14.299
  224   2HG   MET  30          2HG       MET  30   9.594 -15.711 -15.711
  225   1HE   MET  30          2HE       MET  30  12.752 -14.862 -14.862
  226   2HE   MET  30          1HE       MET  30  12.304 -16.445 -16.445
  227   3HE   MET  30          3HE       MET  30  13.538 -15.421 -15.421
  228    H    GLY  31           H        GLY  31   7.816  -9.897  -9.897
  229   1HA   GLY  31          1HA       GLY  31   5.820  -8.874  -8.874
  230   2HA   GLY  31          2HA       GLY  31   5.452 -10.328 -10.328
  231    H    THR  32           H        THR  32   5.712  -9.090  -9.090
  232    HA   THR  32           HA       THR  32   3.238 -10.540 -10.540
  233    HB   THR  32           HB       THR  32   4.506 -11.525 -11.525
  234    HG1  THR  32           HG1      THR  32   6.668 -11.980 -11.980
  235   1HG2  THR  32          2HG2      THR  32   3.768 -13.074 -13.074
  236   2HG2  THR  32          3HG2      THR  32   5.368 -12.830 -12.830
  237   3HG2  THR  32          1HG2      THR  32   5.245 -13.622 -13.622
  238    H    ASN  33           H        ASN  33   5.768  -9.379  -9.379
  239    HA   ASN  33           HA       ASN  33   4.527  -7.540  -7.540
  240   1HB   ASN  33          2HB       ASN  33   7.139  -8.751  -8.751
  241   2HB   ASN  33          1HB       ASN  33   7.530  -7.148  -7.148
  242   1HD2  ASN  33          1HD2      ASN  33   7.106  -6.885  -6.885
  243   2HD2  ASN  33          2HD2      ASN  33   7.199  -5.951  -5.951
  244    H    CYS  34           H        CYS  34   4.564  -6.921  -6.921
  245    HA   CYS  34           HA       CYS  34   5.857  -4.664  -4.664
  246   1HB   CYS  34          1HB       CYS  34   4.108  -6.201  -6.201
  247   2HB   CYS  34          2HB       CYS  34   2.918  -5.097  -5.097
  248    H    GLU  35           H        GLU  35   4.218  -2.880  -2.880
  249    HA   GLU  35           HA       GLU  35   2.669  -1.439  -1.439
  250   1HB   GLU  35          1HB       GLU  35   5.246   0.157   0.157
  251   2HB   GLU  35          2HB       GLU  35   3.854   0.873   0.873
  252   1HG   GLU  35          1HG       GLU  35   4.164  -0.735  -0.735
  253   2HG   GLU  35          2HG       GLU  35   5.671  -1.278  -1.278
  254    HE1  GLU  35           HE2      GLU  35   7.422   1.699   1.699
  255    H    CYS  36           H        CYS  36   1.295   0.391   0.391
  256    HA   CYS  36           HA       CYS  36   1.054   0.381   0.381
  257   1HB   CYS  36          1HB       CYS  36  -1.058   0.882   0.882
  258   2HB   CYS  36          2HB       CYS  36  -1.232   1.439   1.439
  259    H    LYS  37           H        LYS  37   2.053   2.275   2.275
  260    HA   LYS  37           HA       LYS  37   2.302   4.687   4.687
  261   1HB   LYS  37          1HB       LYS  37   2.599   4.377   4.377
  262   2HB   LYS  37          2HB       LYS  37   2.664   5.934   5.934
  263   1HG   LYS  37          1HG       LYS  37   4.919   5.389   5.389
  264   2HG   LYS  37          2HG       LYS  37   4.512   5.069   5.069
  265   1HD   LYS  37          1HD       LYS  37   4.355   2.543   2.543
  266   2HD   LYS  37          2HD       LYS  37   4.827   2.973   2.973
  267   1HE   LYS  37          1HE       LYS  37   6.770   2.128   2.128
  268   2HE   LYS  37          2HE       LYS  37   7.048   3.846   3.846
  269   1HZ   LYS  37          1HZ       LYS  37   6.390   4.232   4.232
  270   2HZ   LYS  37          2HZ       LYS  37   6.115   2.635   2.635
  271    HA   PRO  38           HA       PRO  38  -1.599   5.834   5.834
  272   1HB   PRO  38          1HB       PRO  38  -1.746   8.746   8.746
  273   2HB   PRO  38          2HB       PRO  38  -1.211   7.823   7.823
  274   1HG   PRO  38          1HG       PRO  38   0.468   8.907   8.907
  275   2HG   PRO  38          2HG       PRO  38   0.814   9.011   9.011
  276   1HD   PRO  38          1HD       PRO  38   2.065   7.127   7.127
  277   2HD   PRO  38          2HD       PRO  38   1.391   6.627   6.627
  278    H    ARG  39           H        ARG  39  -3.730   6.685   6.685
  279    HA   ARG  39           HA       ARG  39  -4.438   6.825   6.825
  280   1HB   ARG  39          1HB       ARG  39  -6.844   6.917   6.917
  281   2HB   ARG  39          2HB       ARG  39  -5.983   5.448   5.448
  282   1HG   ARG  39          1HG       ARG  39  -7.468   5.987   5.987
  283   2HG   ARG  39          2HG       ARG  39  -5.816   6.013   6.013
  284   1HD   ARG  39          1HD       ARG  39  -7.031   7.817   7.817
  285   2HD   ARG  39          2HD       ARG  39  -5.833   8.516   8.516
  286   1HH1  ARG  39          2HH2      ARG  39  -9.041   7.377   7.377
  287   2HH1  ARG  39          1HH2      ARG  39 -10.699   8.038   8.038
  288   1HH2  ARG  39          1HH1      ARG  39  -9.494  10.073  10.073
  289   2HH2  ARG  39          2HH1      ARG  39 -10.936   9.455   9.455
  290    H    LEU  40           H        LEU  40  -5.705   8.456   8.456
  291    HA   LEU  40           HA       LEU  40  -4.110  10.823  10.823
  292   1HB   LEU  40          1HB       LEU  40  -4.938   9.984   9.984
  293   2HB   LEU  40          2HB       LEU  40  -6.509  10.705  10.705
  294    HG   LEU  40           HG       LEU  40  -4.077  12.511  12.511
  295   1HD1  LEU  40          3HD2      LEU  40  -3.361  11.287  11.287
  296   2HD1  LEU  40          1HD2      LEU  40  -4.891  11.702  11.702
  297   3HD1  LEU  40          2HD2      LEU  40  -3.731  12.981  12.981
  298   1HD2  LEU  40          2HD1      LEU  40  -6.346  13.493  13.493
  299   2HD2  LEU  40          3HD1      LEU  40  -5.471  14.253  14.253
  300   3HD2  LEU  40          1HD1      LEU  40  -6.749  13.056  13.056
  301    H    ILE  41           H        ILE  41  -4.272  11.923  11.923
  302    HA   ILE  41           HA       ILE  41  -6.358  13.919  13.919
  303    HB   ILE  41           HB       ILE  41  -6.285  13.782  13.782
  304   1HG1  ILE  41          1HG1      ILE  41  -5.634  10.798  10.798
  305   2HG1  ILE  41          2HG1      ILE  41  -4.465  11.976  11.976
  306   1HG2  ILE  41          1HG2      ILE  41  -8.337  13.343  13.343
  307   2HG2  ILE  41          2HG2      ILE  41  -7.944  11.609  11.609
  308   3HG2  ILE  41          3HG2      ILE  41  -8.315  12.404  12.404
  309   1HD1  ILE  41          2HD1      ILE  41  -5.901  12.488  12.488
  310   2HD1  ILE  41          3HD1      ILE  41  -7.026  11.198  11.198
  311   3HD1  ILE  41          1HD1      ILE  41  -5.348  10.798  10.798
  312    H    MET  42           H        MET  42  -4.430  14.426  14.426
  313    HA   MET  42           HA       MET  42  -2.606  15.925  15.925
  314   1HB   MET  42          1HB       MET  42  -3.294  17.178  17.178
  315   2HB   MET  42          2HB       MET  42  -2.119  16.201  16.201
  316   1HG   MET  42          1HG       MET  42  -0.289  17.105  17.105
  317   2HG   MET  42          2HG       MET  42  -1.513  18.117  18.117
  318   1HE   MET  42          3HE       MET  42   0.029  20.270  20.270
  319   2HE   MET  42          2HE       MET  42   0.519  20.655  20.655
  320   3HE   MET  42          1HE       MET  42   1.191  19.212  19.212
  321    H    GLU  43           H        GLU  43  -2.313  13.463  13.463
  322    HA   GLU  43           HA       GLU  43   0.428  12.605  12.605
  323   1HB   GLU  43          1HB       GLU  43  -1.133  10.914  10.914
  324   2HB   GLU  43          2HB       GLU  43  -2.183  11.365  11.365
  325   1HG   GLU  43          1HG       GLU  43  -0.735  10.835  10.835
  326   2HG   GLU  43          2HG       GLU  43   0.605  10.287  10.287
  327    HE1  GLU  43           HE2      GLU  43  -2.728   7.935   7.935
  328    H    GLY  44           H        GLY  44   0.364  11.861  11.861
  329   1HA   GLY  44          1HA       GLY  44   1.414  12.598  12.598
  330   2HA   GLY  44          2HA       GLY  44   0.661  14.158  14.158
  331    H    LEU  45           H        LEU  45   1.868  15.111  15.111
  332    HA   LEU  45           HA       LEU  45   4.850  15.132  15.132
  333   1HB   LEU  45          1HB       LEU  45   4.245  16.893  16.893
  334   2HB   LEU  45          2HB       LEU  45   2.941  17.492  17.492
  335    HG   LEU  45           HG       LEU  45   4.875  18.987  18.987
  336   1HD1  LEU  45          1HD2      LEU  45   3.180  19.000  19.000
  337   2HD1  LEU  45          2HD2      LEU  45   4.443  18.263  18.263
  338   3HD1  LEU  45          3HD2      LEU  45   4.712  19.863  19.863
  339   1HD2  LEU  45          1HD1      LEU  45   6.782  17.371  17.371
  340   2HD2  LEU  45          2HD1      LEU  45   6.978  18.664  18.664
  341   3HD2  LEU  45          3HD1      LEU  45   6.465  17.039  17.039
  342    H    GLY  46           H        GLY  46   4.992  14.105  14.105
  343   1HA   GLY  46          1HA       GLY  46   5.439  14.292  14.292
  344   2HA   GLY  46          2HA       GLY  46   4.060  15.357  15.357
  345    H    LEU  47           H        LEU  47   5.111  12.067  12.067
  346    HA   LEU  47           HA       LEU  47   2.383  11.013  11.013
  347   1HB   LEU  47          1HB       LEU  47   2.288   9.328   9.328
  348   2HB   LEU  47          2HB       LEU  47   2.117  10.959  10.959
  349    HG   LEU  47           HG       LEU  47   4.953  10.330  10.330
  350   1HD1  LEU  47          2HD1      LEU  47   4.319   7.906   7.906
  351   2HD1  LEU  47          3HD1      LEU  47   3.180   8.154   8.154
  352   3HD1  LEU  47          1HD1      LEU  47   4.931   8.388   8.388
  353   1HD2  LEU  47          2HD2      LEU  47   3.682  11.977  11.977
  354   2HD2  LEU  47          3HD2      LEU  47   4.558  10.803  10.803
  355   3HD2  LEU  47          1HD2      LEU  47   2.796  10.651  10.651
  356    H    ALA  48           H        ALA  48   5.574   9.608   9.608
  357    HA   ALA  48           HA       ALA  48   5.217   7.434   7.434
  358   1HB   ALA  48          2HB       ALA  48   6.314   7.011   7.011
  359   2HB   ALA  48          3HB       ALA  48   7.672   8.065   8.065
  360   3HB   ALA  48          1HB       ALA  48   7.365   6.559   6.559
  361    HXT  ALA  48           HO        OH  49   7.195   8.255   8.255

  Start of MODEL    6
    1   1H    LYS   1          2H        LYS   1 -10.224  -0.657  -0.657
    2   2H    LYS   1          3H        LYS   1  -9.837  -2.112  -2.112
    3   3H    LYS   1          1H        LYS   1  -9.233  -0.714  -0.714
    4    HA   LYS   1           HA       LYS   1 -11.400   0.047   0.047
    5   1HB   LYS   1          1HB       LYS   1  -9.944  -1.303  -1.303
    6   2HB   LYS   1          2HB       LYS   1 -10.757  -2.780  -2.780
    7   1HG   LYS   1          1HG       LYS   1 -12.952  -1.840  -1.840
    8   2HG   LYS   1          2HG       LYS   1 -12.107  -0.366  -0.366
    9   1HD   LYS   1          1HD       LYS   1 -10.596  -1.748  -1.748
   10   2HD   LYS   1          2HD       LYS   1 -11.474  -3.207  -3.207
   11   1HE   LYS   1          1HE       LYS   1 -13.617  -2.224  -2.224
   12   2HE   LYS   1          2HE       LYS   1 -12.734  -0.768  -0.768
   13   1HZ   LYS   1          1HZ       LYS   1 -12.953  -2.350  -2.350
   14   2HZ   LYS   1          2HZ       LYS   1 -12.191  -3.524  -3.524
   15    H    LYS   2           H        LYS   2 -11.893  -3.456  -3.456
   16    HA   LYS   2           HA       LYS   2 -14.667  -2.820  -2.820
   17   1HB   LYS   2          1HB       LYS   2 -13.435  -5.527  -5.527
   18   2HB   LYS   2          2HB       LYS   2 -15.053  -5.314  -5.314
   19   1HG   LYS   2          1HG       LYS   2 -14.043  -4.132  -4.132
   20   2HG   LYS   2          2HG       LYS   2 -14.947  -5.626  -5.626
   21   1HD   LYS   2          1HD       LYS   2 -16.898  -4.363  -4.363
   22   2HD   LYS   2          2HD       LYS   2 -16.046  -2.840  -2.840
   23   1HE   LYS   2          1HE       LYS   2 -16.784  -4.741  -4.741
   24   2HE   LYS   2          2HE       LYS   2 -17.769  -3.379  -3.379
   25   1HZ   LYS   2          1HZ       LYS   2 -14.987  -3.141  -3.141
   26   2HZ   LYS   2          2HZ       LYS   2 -15.924  -1.893  -1.893
   27    H    LYS   3           H        LYS   3 -11.745  -4.628  -4.628
   28    HA   LYS   3           HA       LYS   3 -12.588  -4.180  -4.180
   29   1HB   LYS   3          1HB       LYS   3 -11.941  -6.996  -6.996
   30   2HB   LYS   3          2HB       LYS   3 -11.934  -6.548  -6.548
   31   1HG   LYS   3          1HG       LYS   3 -14.366  -5.867  -5.867
   32   2HG   LYS   3          2HG       LYS   3 -14.417  -6.414  -6.414
   33   1HD   LYS   3          1HD       LYS   3 -13.788  -8.233  -8.233
   34   2HD   LYS   3          2HD       LYS   3 -15.368  -7.989  -7.989
   35   1HE   LYS   3          1HE       LYS   3 -14.724 -10.033 -10.033
   36   2HE   LYS   3          2HE       LYS   3 -14.473  -8.898  -8.898
   37   1HZ   LYS   3          1HZ       LYS   3 -12.649 -10.449 -10.449
   38   2HZ   LYS   3          2HZ       LYS   3 -12.382  -9.991  -9.991
   39    H    CYS   4           H        CYS   4 -10.973  -2.713  -2.713
   40    HA   CYS   4           HA       CYS   4  -8.070  -3.215  -3.215
   41   1HB   CYS   4          2HB       CYS   4  -8.308  -0.893  -0.893
   42   2HB   CYS   4          1HB       CYS   4  -9.260  -1.399  -1.399
   43    H    ILE   5           H        ILE   5  -6.972  -1.240  -1.240
   44    HA   ILE   5           HA       ILE   5  -6.689  -1.900  -1.900
   45    HB   ILE   5           HB       ILE   5  -4.788  -0.560  -0.560
   46   1HG1  ILE   5          1HG1      ILE   5  -4.990  -3.009  -3.009
   47   2HG1  ILE   5          2HG1      ILE   5  -3.365  -2.457  -2.457
   48   1HG2  ILE   5          3HG2      ILE   5  -4.350  -0.992  -0.992
   49   2HG2  ILE   5          1HG2      ILE   5  -3.061  -0.631  -0.631
   50   3HG2  ILE   5          2HG2      ILE   5  -4.378   0.527   0.527
   51   1HD1  ILE   5          3HD1      ILE   5  -5.243  -3.798  -3.798
   52   2HD1  ILE   5          1HD1      ILE   5  -3.976  -4.625  -4.625
   53   3HD1  ILE   5          2HD1      ILE   5  -3.517  -3.369  -3.369
   54    H    ALA   6           H        ALA   6  -6.169   0.964   0.964
   55    HA   ALA   6           HA       ALA   6  -6.674   3.206   3.206
   56   1HB   ALA   6          2HB       ALA   6  -9.015   2.375   2.375
   57   2HB   ALA   6          3HB       ALA   6  -9.220   2.471   2.471
   58   3HB   ALA   6          1HB       ALA   6  -8.885   3.950   3.950
   59    H    LYS   7           H        LYS   7  -4.681   3.124   3.124
   60    HA   LYS   7           HA       LYS   7  -4.788   5.077   5.077
   61   1HB   LYS   7          1HB       LYS   7  -3.603   3.556   3.556
   62   2HB   LYS   7          2HB       LYS   7  -5.354   3.636   3.636
   63   1HG   LYS   7          1HG       LYS   7  -5.457   1.429   1.429
   64   2HG   LYS   7          2HG       LYS   7  -3.700   1.355   1.355
   65   1HD   LYS   7          1HD       LYS   7  -3.679   1.396   1.396
   66   2HD   LYS   7          2HD       LYS   7  -5.433   1.493   1.493
   67   1HE   LYS   7          1HE       LYS   7  -3.819  -0.868  -0.868
   68   2HE   LYS   7          2HE       LYS   7  -4.478  -0.827  -0.827
   69   1HZ   LYS   7          1HZ       LYS   7  -6.698  -0.671  -0.671
   70   2HZ   LYS   7          2HZ       LYS   7  -5.934  -2.012  -2.012
   71    H    ASP   8           H        ASP   8  -2.889   6.210   6.210
   72    HA   ASP   8           HA       ASP   8  -0.623   5.323   5.323
   73   1HB   ASP   8          1HB       ASP   8  -0.983   7.587   7.587
   74   2HB   ASP   8          2HB       ASP   8   0.243   7.408   7.408
   75    HD1  ASP   8           HD2      ASP   8  -1.247   8.839   8.839
   76    H    TYR   9           H        TYR   9   0.808   3.726   3.726
   77    HA   TYR   9           HA       TYR   9   2.256   2.708   2.708
   78   1HB   TYR   9          2HB       TYR   9   1.688   3.771   3.771
   79   2HB   TYR   9          1HB       TYR   9   3.063   2.869   2.869
   80    HD1  TYR   9           HD2      TYR   9   4.952   4.053   4.053
   81    HD2  TYR   9           HD1      TYR   9   1.650   6.212   6.212
   82    HE1  TYR   9           HE2      TYR   9   6.253   6.127   6.127
   83    HE2  TYR   9           HE1      TYR   9   2.928   8.270   8.270
   84    HH   TYR   9           HH       TYR   9   4.904   9.207   9.207
   85    H    GLY  10           H        GLY  10  -0.119   1.787   1.787
   86   1HA   GLY  10          1HA       GLY  10  -1.662   0.467   0.467
   87   2HA   GLY  10          2HA       GLY  10  -1.947   0.277   0.277
   88    H    ARG  11           H        ARG  11  -1.760  -2.064  -2.064
   89    HA   ARG  11           HA       ARG  11   0.810  -3.404  -3.404
   90   1HB   ARG  11          1HB       ARG  11  -1.711  -4.159  -4.159
   91   2HB   ARG  11          2HB       ARG  11  -0.249  -5.117  -5.117
   92   1HG   ARG  11          1HG       ARG  11  -0.462  -2.307  -2.307
   93   2HG   ARG  11          2HG       ARG  11  -0.483  -3.825  -3.825
   94   1HD   ARG  11          1HD       ARG  11   1.861  -4.356  -4.356
   95   2HD   ARG  11          2HD       ARG  11   1.916  -2.906  -2.906
   96   1HH1  ARG  11          2HH2      ARG  11   2.713  -1.096  -1.096
   97   2HH1  ARG  11          1HH2      ARG  11   3.429   0.166   0.166
   98   1HH2  ARG  11          1HH1      ARG  11   2.498  -1.536  -1.536
   99   2HH2  ARG  11          2HH1      ARG  11   3.314  -0.069  -0.069
  100    H    CYS  12           H        CYS  12   0.310  -3.258  -3.258
  101    HA   CYS  12           HA       CYS  12  -1.894  -4.629  -4.629
  102   1HB   CYS  12          2HB       CYS  12  -1.145  -3.891  -3.891
  103   2HB   CYS  12          1HB       CYS  12  -0.393  -2.776  -2.776
  104    H    LYS  13           H        LYS  13  -1.308  -6.101  -6.101
  105    HA   LYS  13           HA       LYS  13   0.749  -8.200  -8.200
  106   1HB   LYS  13          1HB       LYS  13  -1.093  -9.308  -9.308
  107   2HB   LYS  13          2HB       LYS  13  -2.230  -8.967  -8.967
  108   1HG   LYS  13          1HG       LYS  13  -1.699 -11.331 -11.331
  109   2HG   LYS  13          2HG       LYS  13  -1.152 -10.609 -10.609
  110   1HD   LYS  13          1HD       LYS  13   1.185 -10.566 -10.566
  111   2HD   LYS  13          2HD       LYS  13   0.705 -11.255 -11.255
  112   1HE   LYS  13          1HE       LYS  13  -0.061 -13.362 -13.362
  113   2HE   LYS  13          2HE       LYS  13   0.265 -12.651 -12.651
  114   1HZ   LYS  13          1HZ       LYS  13   2.319 -13.113 -13.113
  115   2HZ   LYS  13          2HZ       LYS  13   2.602 -12.484 -12.484
  116    H    TRP  14           H        TRP  14   1.723  -8.566  -8.566
  117    HA   TRP  14           HA       TRP  14   0.854  -7.552  -7.552
  118   1HB   TRP  14          1HB       TRP  14   3.429  -8.998  -8.998
  119   2HB   TRP  14          2HB       TRP  14   3.053  -8.527  -8.527
  120    HD1  TRP  14           HD1      TRP  14   2.020  -5.296  -5.296
  121    HE1  TRP  14           HE1      TRP  14   3.983  -3.602  -3.602
  122    HE3  TRP  14           HE3      TRP  14   5.832  -8.677  -8.677
  123    HZ2  TRP  14           HZ2      TRP  14   6.811  -3.800  -3.800
  124    HZ3  TRP  14           HZ3      TRP  14   8.151  -7.829  -7.829
  125    HH2  TRP  14           HH2      TRP  14   8.631  -5.429  -5.429
  126    H    GLY  15           H        GLY  15  -0.536  -8.801  -8.801
  127   1HA   GLY  15          1HA       GLY  15  -1.550 -10.835 -10.835
  128   2HA   GLY  15          2HA       GLY  15  -0.456 -11.852 -11.852
  129    H    GLY  16           H        GLY  16  -2.514  -9.159  -9.159
  130   1HA   GLY  16          2HA       GLY  16  -4.479 -10.831 -10.831
  131   2HA   GLY  16          1HA       GLY  16  -3.227  -9.897  -9.897
  132    H    THR  17           H        THR  17  -4.536  -8.618  -8.618
  133    HA   THR  17           HA       THR  17  -6.575  -6.895  -6.895
  134    HB   THR  17           HB       THR  17  -5.229  -5.124  -5.124
  135    HG1  THR  17           HG1      THR  17  -5.388  -6.440  -6.440
  136   1HG2  THR  17          1HG2      THR  17  -7.450  -4.982  -4.982
  137   2HG2  THR  17          2HG2      THR  17  -7.916  -6.459  -6.459
  138   3HG2  THR  17          3HG2      THR  17  -7.237  -5.052  -5.052
  139    HA   PRO  18           HA       PRO  18  -3.900  -3.793  -3.793
  140   1HB   PRO  18          1HB       PRO  18  -5.819  -2.100  -2.100
  141   2HB   PRO  18          2HB       PRO  18  -5.811  -3.778  -3.778
  142   1HG   PRO  18          1HG       PRO  18  -7.350  -2.683  -2.683
  143   2HG   PRO  18          2HG       PRO  18  -8.097  -3.379  -3.379
  144   1HD   PRO  18          1HD       PRO  18  -7.572  -5.009  -5.009
  145   2HD   PRO  18          2HD       PRO  18  -7.083  -5.603  -5.603
  146    H    CYS  19           H        CYS  19  -5.385  -1.255  -1.255
  147    HA   CYS  19           HA       CYS  19  -4.948  -0.675  -0.675
  148   1HB   CYS  19          1HB       CYS  19  -2.719  -0.234  -0.234
  149   2HB   CYS  19          2HB       CYS  19  -3.352   1.392   1.392
  150    H    CYS  20           H        CYS  20  -6.503  -0.251  -0.251
  151    HA   CYS  20           HA       CYS  20  -8.679   0.691   0.691
  152   1HB   CYS  20          1HB       CYS  20  -8.422   1.122   1.122
  153   2HB   CYS  20          2HB       CYS  20  -9.082   2.577   2.577
  154    H    ARG  21           H        ARG  21  -6.963   3.482   3.482
  155    HA   ARG  21           HA       ARG  21  -8.041   5.265   5.265
  156   1HB   ARG  21          1HB       ARG  21  -7.889   7.088   7.088
  157   2HB   ARG  21          2HB       ARG  21  -9.042   5.829   5.829
  158   1HG   ARG  21          1HG       ARG  21  -7.518   4.833   4.833
  159   2HG   ARG  21          2HG       ARG  21  -6.246   5.967   5.967
  160   1HD   ARG  21          1HD       ARG  21  -7.813   7.889   7.889
  161   2HD   ARG  21          2HD       ARG  21  -8.987   6.660   6.660
  162   1HH1  ARG  21          2HH2      ARG  21  -9.555   7.420   7.420
  163   2HH1  ARG  21          1HH2      ARG  21  -9.224   7.543   7.543
  164   1HH2  ARG  21          1HH1      ARG  21  -5.914   6.654   6.654
  165   2HH2  ARG  21          2HH1      ARG  21  -7.302   7.138   7.138
  166    H    GLY  22           H        GLY  22  -6.097   4.195   4.195
  167   1HA   GLY  22          1HA       GLY  22  -4.059   4.570   4.570
  168   2HA   GLY  22          2HA       GLY  22  -4.272   6.252   6.252
  169    H    ARG  23           H        ARG  23  -2.903   3.181   3.181
  170    HA   ARG  23           HA       ARG  23  -0.621   4.769   4.769
  171   1HB   ARG  23          1HB       ARG  23  -2.518   4.165   4.165
  172   2HB   ARG  23          2HB       ARG  23  -1.659   2.646   2.646
  173   1HG   ARG  23          1HG       ARG  23   0.293   3.599   3.599
  174   2HG   ARG  23          2HG       ARG  23   0.047   5.168   5.168
  175   1HD   ARG  23          1HD       ARG  23  -1.643   4.115   4.115
  176   2HD   ARG  23          2HD       ARG  23  -0.229   5.139   5.139
  177   1HH1  ARG  23          2HH2      ARG  23  -3.516   4.399   4.399
  178   2HH1  ARG  23          1HH2      ARG  23  -4.960   5.530   5.530
  179   1HH2  ARG  23          1HH1      ARG  23  -3.100   8.186   8.186
  180   2HH2  ARG  23          2HH1      ARG  23  -4.737   7.532   7.532
  181    H    GLY  24           H        GLY  24   1.293   3.769   3.769
  182   1HA   GLY  24          1HA       GLY  24   1.826   1.249   1.249
  183   2HA   GLY  24          2HA       GLY  24   2.973   2.458   2.458
  184    H    CYS  25           H        CYS  25   1.594   0.107   0.107
  185    HA   CYS  25           HA       CYS  25   2.375  -0.314  -0.314
  186   1HB   CYS  25          1HB       CYS  25   0.630  -1.992  -1.992
  187   2HB   CYS  25          2HB       CYS  25   1.902  -2.730  -2.730
  188    H    ILE  26           H        ILE  26   4.328  -0.713  -0.713
  189    HA   ILE  26           HA       ILE  26   6.397  -2.253  -2.253
  190    HB   ILE  26           HB       ILE  26   7.147  -0.380  -0.380
  191   1HG1  ILE  26          1HG1      ILE  26   6.707   1.140   1.140
  192   2HG1  ILE  26          2HG1      ILE  26   8.443   0.975   0.975
  193   1HG2  ILE  26          3HG2      ILE  26   8.843  -2.317  -2.317
  194   2HG2  ILE  26          1HG2      ILE  26   9.559  -0.937  -0.937
  195   3HG2  ILE  26          2HG2      ILE  26   8.618  -2.170  -2.170
  196   1HD1  ILE  26          1HD1      ILE  26   8.291  -0.616  -0.616
  197   2HD1  ILE  26          2HD1      ILE  26   6.553  -0.234  -0.234
  198   3HD1  ILE  26          3HD1      ILE  26   7.736   1.055   1.055
  199    H    CYS  27           H        CYS  27   7.231  -3.837  -3.837
  200    HA   CYS  27           HA       CYS  27   5.912  -4.821  -4.821
  201   1HB   CYS  27          1HB       CYS  27   6.577  -6.582  -6.582
  202   2HB   CYS  27          2HB       CYS  27   6.001  -7.176  -7.176
  203    H    SER  28           H        SER  28   7.244  -7.093  -7.093
  204    HA   SER  28           HA       SER  28   9.559  -6.148  -6.148
  205   1HB   SER  28          1HB       SER  28   7.674  -8.478  -8.478
  206   2HB   SER  28          2HB       SER  28   9.234  -9.073  -9.073
  207    HG   SER  28           HG       SER  28   8.040  -7.140  -7.140
  208    H    ILE  29           H        ILE  29   9.185  -7.500  -7.500
  209    HA   ILE  29           HA       ILE  29  10.470  -8.198  -8.198
  210    HB   ILE  29           HB       ILE  29  13.004  -8.125  -8.125
  211   1HG1  ILE  29          1HG1      ILE  29  13.096  -6.234  -6.234
  212   2HG1  ILE  29          2HG1      ILE  29  11.384  -6.197  -6.197
  213   1HG2  ILE  29          3HG2      ILE  29  12.633  -8.730  -8.730
  214   2HG2  ILE  29          1HG2      ILE  29  14.185  -8.438  -8.438
  215   3HG2  ILE  29          2HG2      ILE  29  13.221  -9.864  -9.864
  216   1HD1  ILE  29          1HD1      ILE  29  13.612  -5.746  -5.746
  217   2HD1  ILE  29          2HD1      ILE  29  12.806  -4.450  -4.450
  218   3HD1  ILE  29          3HD1      ILE  29  11.866  -5.434  -5.434
  219    H    MET  30           H        MET  30   8.936  -9.459  -9.459
  220    HA   MET  30           HA       MET  30   9.065 -12.312 -12.312
  221   1HB   MET  30          1HB       MET  30   9.283 -11.909 -11.909
  222   2HB   MET  30          2HB       MET  30   7.735 -11.112 -11.112
  223   1HG   MET  30          1HG       MET  30   6.639 -13.271 -13.271
  224   2HG   MET  30          2HG       MET  30   8.229 -14.047 -14.047
  225   1HE   MET  30          1HE       MET  30   5.883 -15.208 -15.208
  226   2HE   MET  30          3HE       MET  30   7.481 -15.998 -15.998
  227   3HE   MET  30          2HE       MET  30   6.820 -15.666 -15.666
  228    H    GLY  31           H        GLY  31   6.994  -9.501  -9.501
  229   1HA   GLY  31          1HA       GLY  31   5.055  -8.913  -8.913
  230   2HA   GLY  31          2HA       GLY  31   4.738 -10.616 -10.616
  231    H    THR  32           H        THR  32   5.280 -11.017 -11.017
  232    HA   THR  32           HA       THR  32   2.619 -10.250 -10.250
  233    HB   THR  32           HB       THR  32   3.226 -11.770 -11.770
  234    HG1  THR  32           HG1      THR  32   5.405 -11.191 -11.191
  235   1HG2  THR  32          2HG2      THR  32   2.479 -13.098 -13.098
  236   2HG2  THR  32          3HG2      THR  32   4.187 -13.293 -13.293
  237   3HG2  THR  32          1HG2      THR  32   3.621 -13.993 -13.993
  238    H    ASN  33           H        ASN  33   3.552  -9.977  -9.977
  239    HA   ASN  33           HA       ASN  33   3.784  -8.029  -8.029
  240   1HB   ASN  33          1HB       ASN  33   6.453  -9.352  -9.352
  241   2HB   ASN  33          2HB       ASN  33   6.138  -8.175  -8.175
  242   1HD2  ASN  33          1HD2      ASN  33   4.899 -10.641 -10.641
  243   2HD2  ASN  33          2HD2      ASN  33   5.409  -8.907  -8.907
  244    H    CYS  34           H        CYS  34   3.367  -7.020  -7.020
  245    HA   CYS  34           HA       CYS  34   5.226  -5.043  -5.043
  246   1HB   CYS  34          1HB       CYS  34   3.421  -6.519  -6.519
  247   2HB   CYS  34          2HB       CYS  34   2.288  -5.302  -5.302
  248    H    GLU  35           H        GLU  35   3.602  -3.266  -3.266
  249    HA   GLU  35           HA       GLU  35   2.240  -1.574  -1.574
  250   1HB   GLU  35          1HB       GLU  35   3.604   0.459   0.459
  251   2HB   GLU  35          2HB       GLU  35   4.424  -0.920  -0.920
  252   1HG   GLU  35          1HG       GLU  35   6.000  -1.038  -1.038
  253   2HG   GLU  35          2HG       GLU  35   5.133   0.241   0.241
  254    HE1  GLU  35           HE2      GLU  35   6.444   2.860   2.860
  255    H    CYS  36           H        CYS  36   1.274   0.421   0.421
  256    HA   CYS  36           HA       CYS  36   1.234   0.427   0.427
  257   1HB   CYS  36          1HB       CYS  36  -0.861   1.554   1.554
  258   2HB   CYS  36          2HB       CYS  36  -0.651   2.129   2.129
  259    H    LYS  37           H        LYS  37   3.404   1.301   1.301
  260    HA   LYS  37           HA       LYS  37   4.264   3.380   3.380
  261   1HB   LYS  37          1HB       LYS  37   5.752   1.961   1.961
  262   2HB   LYS  37          2HB       LYS  37   5.392   2.901   2.901
  263   1HG   LYS  37          1HG       LYS  37   6.402   4.932   4.932
  264   2HG   LYS  37          2HG       LYS  37   6.578   4.161   4.161
  265   1HD   LYS  37          1HD       LYS  37   8.049   3.211   3.211
  266   2HD   LYS  37          2HD       LYS  37   8.691   4.400   4.400
  267   1HE   LYS  37          1HE       LYS  37   8.620   2.729   2.729
  268   2HE   LYS  37          2HE       LYS  37   7.975   1.499   1.499
  269   1HZ   LYS  37          1HZ       LYS  37  10.336   1.291   1.291
  270   2HZ   LYS  37          2HZ       LYS  37   9.976   1.641   1.641
  271    HA   PRO  38           HA       PRO  38   1.488   6.534   6.534
  272   1HB   PRO  38          1HB       PRO  38   3.710   8.593   8.593
  273   2HB   PRO  38          2HB       PRO  38   2.014   8.633   8.633
  274   1HG   PRO  38          1HG       PRO  38   3.992   7.683   7.683
  275   2HG   PRO  38          2HG       PRO  38   2.406   6.879   6.879
  276   1HD   PRO  38          1HD       PRO  38   4.987   5.899   5.899
  277   2HD   PRO  38          2HD       PRO  38   3.578   4.986   4.986
  278    H    ARG  39           H        ARG  39   0.666   7.403   7.403
  279    HA   ARG  39           HA       ARG  39   2.443   8.988   8.988
  280   1HB   ARG  39          1HB       ARG  39   0.034   7.384   7.384
  281   2HB   ARG  39          2HB       ARG  39   1.127   8.314   8.314
  282   1HG   ARG  39          1HG       ARG  39   1.915   5.741   5.741
  283   2HG   ARG  39          2HG       ARG  39   1.476   5.847   5.847
  284   1HD   ARG  39          1HD       ARG  39   3.459   7.255   7.255
  285   2HD   ARG  39          2HD       ARG  39   3.893   7.360   7.360
  286   1HH1  ARG  39          2HH2      ARG  39   5.074   6.490   6.490
  287   2HH1  ARG  39          1HH2      ARG  39   6.278   5.146   5.146
  288   1HH2  ARG  39          1HH1      ARG  39   5.402   3.351   3.351
  289   2HH2  ARG  39          2HH1      ARG  39   6.448   3.494   3.494
  290    H    LEU  40           H        LEU  40   1.510  10.637  10.637
  291    HA   LEU  40           HA       LEU  40   0.094  12.245  12.245
  292   1HB   LEU  40          1HB       LEU  40   2.068  13.134  13.134
  293   2HB   LEU  40          2HB       LEU  40   1.131  13.336  13.336
  294    HG   LEU  40           HG       LEU  40  -0.412  14.476  14.476
  295   1HD1  LEU  40          2HD1      LEU  40   1.759  14.687  14.687
  296   2HD1  LEU  40          3HD1      LEU  40   2.462  15.616  15.616
  297   3HD1  LEU  40          1HD1      LEU  40   1.098  16.281  16.281
  298   1HD2  LEU  40          3HD2      LEU  40  -0.649  15.230  15.230
  299   2HD2  LEU  40          1HD2      LEU  40  -0.313  16.600  16.600
  300   3HD2  LEU  40          2HD2      LEU  40   0.980  15.948  15.948
  301    H    ILE  41           H        ILE  41  -1.673  11.830  11.830
  302    HA   ILE  41           HA       ILE  41  -3.892  12.859  12.859
  303    HB   ILE  41           HB       ILE  41  -4.169   9.889   9.889
  304   1HG1  ILE  41          1HG1      ILE  41  -4.147  11.332  11.332
  305   2HG1  ILE  41          2HG1      ILE  41  -2.815  10.393  10.393
  306   1HG2  ILE  41          2HG2      ILE  41  -6.330  11.155  11.155
  307   2HG2  ILE  41          3HG2      ILE  41  -6.252  11.827  11.827
  308   3HG2  ILE  41          1HG2      ILE  41  -6.470  10.077  10.077
  309   1HD1  ILE  41          1HD1      ILE  41  -4.141   8.305   8.305
  310   2HD1  ILE  41          2HD1      ILE  41  -5.519   9.168   9.168
  311   3HD1  ILE  41          3HD1      ILE  41  -3.977   9.032   9.032
  312    H    MET  42           H        MET  42  -3.880  10.778  10.778
  313    HA   MET  42           HA       MET  42  -4.901  12.571  12.571
  314   1HB   MET  42          1HB       MET  42  -4.805   9.497   9.497
  315   2HB   MET  42          2HB       MET  42  -5.302  10.502  10.502
  316   1HG   MET  42          1HG       MET  42  -6.768  10.305  10.305
  317   2HG   MET  42          2HG       MET  42  -7.290   9.676   9.676
  318   1HE   MET  42          2HE       MET  42  -9.122  11.548  11.548
  319   2HE   MET  42          1HE       MET  42  -9.650  10.909  10.909
  320   3HE   MET  42          3HE       MET  42  -9.808  12.654  12.654
  321    H    GLU  43           H        GLU  43  -1.718  12.260  12.260
  322    HA   GLU  43           HA       GLU  43  -0.569  12.206  12.206
  323   1HB   GLU  43          1HB       GLU  43   0.447  10.560  10.560
  324   2HB   GLU  43          2HB       GLU  43   0.311  11.437  11.437
  325   1HG   GLU  43          1HG       GLU  43   1.698  13.128  13.128
  326   2HG   GLU  43          2HG       GLU  43   2.153  12.331  12.331
  327    HE2  GLU  43           HE2      GLU  43   4.782  10.695  10.695
  328    H    GLY  44           H        GLY  44   0.181  13.808  13.808
  329   1HA   GLY  44          1HA       GLY  44   0.882  16.241  16.241
  330   2HA   GLY  44          2HA       GLY  44   0.602  16.370  16.370
  331    H    LEU  45           H        LEU  45  -2.051  15.967  15.967
  332    HA   LEU  45           HA       LEU  45  -3.497  18.042  18.042
  333   1HB   LEU  45          1HB       LEU  45  -4.428  19.185  19.185
  334   2HB   LEU  45          2HB       LEU  45  -2.874  19.638  19.638
  335    HG   LEU  45           HG       LEU  45  -3.110  19.731  19.731
  336   1HD1  LEU  45          3HD2      LEU  45  -0.829  19.568  19.568
  337   2HD1  LEU  45          1HD2      LEU  45  -0.811  17.821  17.821
  338   3HD1  LEU  45          2HD2      LEU  45  -0.894  18.993  18.993
  339   1HD2  LEU  45          3HD1      LEU  45  -4.465  17.722  17.722
  340   2HD2  LEU  45          1HD1      LEU  45  -2.984  17.770  17.770
  341   3HD2  LEU  45          2HD1      LEU  45  -3.091  16.659  16.659
  342    H    GLY  46           H        GLY  46  -4.528  16.252  16.252
  343   1HA   GLY  46          1HA       GLY  46  -7.138  15.658  15.658
  344   2HA   GLY  46          2HA       GLY  46  -6.151  14.417  14.417
  345    H    LEU  47           H        LEU  47  -5.059  12.921  12.921
  346    HA   LEU  47           HA       LEU  47  -5.004  11.265  11.265
  347   1HB   LEU  47          1HB       LEU  47  -4.575  11.695  11.695
  348   2HB   LEU  47          2HB       LEU  47  -3.473  12.255  12.255
  349    HG   LEU  47           HG       LEU  47  -4.490  14.576  14.576
  350   1HD1  LEU  47          1HD1      LEU  47  -6.613  14.039  14.039
  351   2HD1  LEU  47          2HD1      LEU  47  -5.644  13.475  13.475
  352   3HD1  LEU  47          3HD1      LEU  47  -5.613  15.191  15.191
  353   1HD2  LEU  47          2HD2      LEU  47  -2.254  14.018  14.018
  354   2HD2  LEU  47          3HD2      LEU  47  -3.080  15.172  15.172
  355   3HD2  LEU  47          1HD2      LEU  47  -2.987  13.453  13.453
  356    H    ALA  48           H        ALA  48  -7.075  11.279  11.279
  357    HA   ALA  48           HA       ALA  48  -9.141  10.113  10.113
  358   1HB   ALA  48          2HB       ALA  48  -8.344   8.498   8.498
  359   2HB   ALA  48          3HB       ALA  48  -8.970   9.544   9.544
  360   3HB   ALA  48          1HB       ALA  48 -10.087   8.810   8.810
  361    HXT  ALA  48           HO        OH  49 -11.252  12.723  12.723

  Start of MODEL    7
    1   1H    LYS   1          2H        LYS   1 -10.524 -10.065 -10.065
    2   2H    LYS   1          3H        LYS   1 -11.428 -10.834 -10.834
    3   3H    LYS   1          1H        LYS   1  -9.780 -10.931 -10.931
    4    HA   LYS   1           HA       LYS   1  -9.555  -8.583  -8.583
    5   1HB   LYS   1          1HB       LYS   1  -9.757 -10.303 -10.303
    6   2HB   LYS   1          2HB       LYS   1 -11.478  -9.954  -9.954
    7   1HG   LYS   1          1HG       LYS   1 -10.845  -7.489  -7.489
    8   2HG   LYS   1          2HG       LYS   1  -9.152  -7.982  -7.982
    9   1HD   LYS   1          1HD       LYS   1  -9.634  -9.624  -9.624
   10   2HD   LYS   1          2HD       LYS   1 -11.302  -9.071  -9.071
   11   1HE   LYS   1          1HE       LYS   1  -8.812  -7.306  -7.306
   12   2HE   LYS   1          2HE       LYS   1  -9.801  -8.058  -8.058
   13   1HZ   LYS   1          1HZ       LYS   1 -11.685  -6.750  -6.750
   14   2HZ   LYS   1          2HZ       LYS   1 -10.430  -5.789  -5.789
   15    H    LYS   2           H        LYS   2 -10.413  -6.847  -6.847
   16    HA   LYS   2           HA       LYS   2 -13.431  -6.513  -6.513
   17   1HB   LYS   2          1HB       LYS   2 -13.056  -5.032  -5.032
   18   2HB   LYS   2          2HB       LYS   2 -12.110  -6.455  -6.455
   19   1HG   LYS   2          1HG       LYS   2 -10.939  -3.785  -3.785
   20   2HG   LYS   2          2HG       LYS   2 -11.103  -4.200  -4.200
   21   1HD   LYS   2          1HD       LYS   2  -9.588  -6.213  -6.213
   22   2HD   LYS   2          2HD       LYS   2  -9.343  -5.721  -5.721
   23   1HE   LYS   2          1HE       LYS   2  -8.375  -3.512  -3.512
   24   2HE   LYS   2          2HE       LYS   2  -8.625  -3.976  -3.976
   25   1HZ   LYS   2          1HZ       LYS   2  -6.383  -4.418  -4.418
   26   2HZ   LYS   2          2HZ       LYS   2  -6.891  -5.388  -5.388
   27    H    LYS   3           H        LYS   3 -12.014  -5.877  -5.877
   28    HA   LYS   3           HA       LYS   3 -12.113  -4.345  -4.345
   29   1HB   LYS   3          1HB       LYS   3 -14.564  -4.394  -4.394
   30   2HB   LYS   3          2HB       LYS   3 -14.404  -2.988  -2.988
   31   1HG   LYS   3          1HG       LYS   3 -15.271  -2.298  -2.298
   32   2HG   LYS   3          2HG       LYS   3 -13.691  -1.587  -1.587
   33   1HD   LYS   3          1HD       LYS   3 -13.910  -2.290  -2.290
   34   2HD   LYS   3          2HD       LYS   3 -12.656  -3.234  -3.234
   35   1HE   LYS   3          1HE       LYS   3 -13.909  -4.721  -4.721
   36   2HE   LYS   3          2HE       LYS   3 -14.265  -5.206  -5.206
   37   1HZ   LYS   3          1HZ       LYS   3 -16.235  -5.117  -5.117
   38   2HZ   LYS   3          2HZ       LYS   3 -15.998  -3.542  -3.542
   39    H    CYS   4           H        CYS   4 -10.110  -3.616  -3.616
   40    HA   CYS   4           HA       CYS   4  -8.234  -2.427  -2.427
   41   1HB   CYS   4          1HB       CYS   4  -8.234  -0.095  -0.095
   42   2HB   CYS   4          2HB       CYS   4  -9.132  -0.830  -0.830
   43    H    ILE   5           H        ILE   5  -7.042  -0.888  -0.888
   44    HA   ILE   5           HA       ILE   5  -7.770  -1.104  -1.104
   45    HB   ILE   5           HB       ILE   5  -4.999  -0.738  -0.738
   46   1HG1  ILE   5          1HG1      ILE   5  -6.524  -3.295  -3.295
   47   2HG1  ILE   5          2HG1      ILE   5  -5.600  -2.804  -2.804
   48   1HG2  ILE   5          2HG2      ILE   5  -5.137   0.047   0.047
   49   2HG2  ILE   5          3HG2      ILE   5  -5.790  -1.528  -1.528
   50   3HG2  ILE   5          1HG2      ILE   5  -4.113  -1.390  -1.390
   51   1HD1  ILE   5          2HD1      ILE   5  -3.417  -3.150  -3.150
   52   2HD1  ILE   5          3HD1      ILE   5  -4.352  -3.796  -3.796
   53   3HD1  ILE   5          1HD1      ILE   5  -4.389  -4.627  -4.627
   54    H    ALA   6           H        ALA   6  -8.540   0.829   0.829
   55    HA   ALA   6           HA       ALA   6  -7.538   3.479   3.479
   56   1HB   ALA   6          2HB       ALA   6  -9.974   3.220   3.220
   57   2HB   ALA   6          3HB       ALA   6 -10.033   2.971   2.971
   58   3HB   ALA   6          1HB       ALA   6  -9.496   4.534   4.534
   59    H    LYS   7           H        LYS   7  -5.596   2.628   2.628
   60    HA   LYS   7           HA       LYS   7  -5.086   4.081   4.081
   61   1HB   LYS   7          1HB       LYS   7  -5.773   2.118   2.118
   62   2HB   LYS   7          2HB       LYS   7  -5.332   1.066   1.066
   63   1HG   LYS   7          1HG       LYS   7  -4.031   0.551   0.551
   64   2HG   LYS   7          2HG       LYS   7  -3.029   0.987   0.987
   65   1HD   LYS   7          1HD       LYS   7  -2.038   1.858   1.858
   66   2HD   LYS   7          2HD       LYS   7  -2.521   3.201   3.201
   67   1HE   LYS   7          1HE       LYS   7  -4.604   3.546   3.546
   68   2HE   LYS   7          2HE       LYS   7  -4.092   2.196   2.196
   69   1HZ   LYS   7          1HZ       LYS   7  -2.529   4.676   4.676
   70   2HZ   LYS   7          2HZ       LYS   7  -2.043   3.432   3.432
   71    H    ASP   8           H        ASP   8  -3.416   5.369   5.369
   72    HA   ASP   8           HA       ASP   8  -1.613   4.777   4.777
   73   1HB   ASP   8          1HB       ASP   8  -1.577   6.827   6.827
   74   2HB   ASP   8          2HB       ASP   8  -0.654   6.860   6.860
   75    HD2  ASP   8           HD2      ASP   8  -3.711   9.005   9.005
   76    H    TYR   9           H        TYR   9   0.191   3.470   3.470
   77    HA   TYR   9           HA       TYR   9   2.021   2.547   2.547
   78   1HB   TYR   9          2HB       TYR   9   1.998   3.302   3.302
   79   2HB   TYR   9          1HB       TYR   9   3.302   2.575   2.575
   80    HD1  TYR   9           HD1      TYR   9   4.574   4.016   4.016
   81    HD2  TYR   9           HD2      TYR   9   1.777   5.713   5.713
   82    HE1  TYR   9           HE1      TYR   9   5.607   6.220   6.220
   83    HE2  TYR   9           HE2      TYR   9   2.791   7.902   7.902
   84    HH   TYR   9           HH       TYR   9   5.602   8.357   8.357
   85    H    GLY  10           H        GLY  10  -0.337   1.341   1.341
   86   1HA   GLY  10          1HA       GLY  10  -1.134  -0.325  -0.325
   87   2HA   GLY  10          2HA       GLY  10  -1.976  -0.283  -0.283
   88    H    ARG  11           H        ARG  11  -0.718  -2.463  -2.463
   89    HA   ARG  11           HA       ARG  11   1.730  -3.470  -3.470
   90   1HB   ARG  11          1HB       ARG  11   0.164  -4.165  -4.165
   91   2HB   ARG  11          2HB       ARG  11   1.123  -5.439  -5.439
   92   1HG   ARG  11          1HG       ARG  11   2.420  -4.343  -4.343
   93   2HG   ARG  11          2HG       ARG  11   3.184  -4.210  -4.210
   94   1HD   ARG  11          1HD       ARG  11   2.323  -1.789  -1.789
   95   2HD   ARG  11          2HD       ARG  11   1.656  -1.945  -1.945
   96   1HH1  ARG  11          2HH2      ARG  11   3.038   0.226   0.226
   97   2HH1  ARG  11          1HH2      ARG  11   4.573   1.085   1.085
   98   1HH2  ARG  11          1HH1      ARG  11   5.972  -1.768  -1.768
   99   2HH2  ARG  11          2HH1      ARG  11   6.129   0.026   0.026
  100    H    CYS  12           H        CYS  12   0.384  -3.393  -3.393
  101    HA   CYS  12           HA       CYS  12  -1.341  -5.218  -5.218
  102   1HB   CYS  12          2HB       CYS  12  -0.702  -4.103  -4.103
  103   2HB   CYS  12          1HB       CYS  12  -0.808  -2.975  -2.975
  104    H    LYS  13           H        LYS  13  -0.700  -6.201  -6.201
  105    HA   LYS  13           HA       LYS  13   1.898  -7.617  -7.617
  106   1HB   LYS  13          1HB       LYS  13   1.117  -9.954  -9.954
  107   2HB   LYS  13          2HB       LYS  13   0.892  -9.325  -9.325
  108   1HG   LYS  13          1HG       LYS  13  -1.538  -9.113  -9.113
  109   2HG   LYS  13          2HG       LYS  13  -1.409  -9.483  -9.483
  110   1HD   LYS  13          1HD       LYS  13  -0.759 -11.765 -11.765
  111   2HD   LYS  13          2HD       LYS  13  -0.429 -11.495 -11.495
  112   1HE   LYS  13          1HE       LYS  13  -2.885 -11.106 -11.106
  113   2HE   LYS  13          2HE       LYS  13  -3.242 -11.357 -11.357
  114   1HZ   LYS  13          1HZ       LYS  13  -3.587 -13.343 -13.343
  115   2HZ   LYS  13          2HZ       LYS  13  -2.036 -13.359 -13.359
  116    H    TRP  14           H        TRP  14   1.989  -8.953  -8.953
  117    HA   TRP  14           HA       TRP  14   0.463  -7.693  -7.693
  118   1HB   TRP  14          1HB       TRP  14   3.282  -8.901  -8.901
  119   2HB   TRP  14          2HB       TRP  14   2.337  -8.713  -8.713
  120    HD1  TRP  14           HD1      TRP  14   1.472  -5.476  -5.476
  121    HE1  TRP  14           HE1      TRP  14   2.937  -3.508  -3.508
  122    HE3  TRP  14           HE3      TRP  14   5.163  -8.353  -8.353
  123    HZ2  TRP  14           HZ2      TRP  14   5.435  -3.355  -3.355
  124    HZ3  TRP  14           HZ3      TRP  14   7.101  -7.209  -7.209
  125    HH2  TRP  14           HH2      TRP  14   7.238  -4.751  -4.751
  126    H    GLY  15           H        GLY  15  -1.189  -8.883  -8.883
  127   1HA   GLY  15          1HA       GLY  15  -2.279 -11.083 -11.083
  128   2HA   GLY  15          2HA       GLY  15  -1.143 -11.956 -11.956
  129    H    GLY  16           H        GLY  16  -2.856  -8.964  -8.964
  130   1HA   GLY  16          1HA       GLY  16  -4.676 -10.320 -10.320
  131   2HA   GLY  16          2HA       GLY  16  -3.569  -9.037  -9.037
  132    H    THR  17           H        THR  17  -5.252  -7.982  -7.982
  133    HA   THR  17           HA       THR  17  -7.327  -6.661  -6.661
  134    HB   THR  17           HB       THR  17  -6.351  -4.990  -4.990
  135    HG1  THR  17           HG1      THR  17  -7.474  -6.326  -6.326
  136   1HG2  THR  17          2HG2      THR  17  -8.208  -4.336  -4.336
  137   2HG2  THR  17          3HG2      THR  17  -9.169  -5.750  -5.750
  138   3HG2  THR  17          1HG2      THR  17  -8.676  -4.596  -4.596
  139    HA   PRO  18           HA       PRO  18  -4.410  -4.203  -4.203
  140   1HB   PRO  18          1HB       PRO  18  -5.967  -2.054  -2.054
  141   2HB   PRO  18          2HB       PRO  18  -6.190  -3.724  -3.724
  142   1HG   PRO  18          1HG       PRO  18  -7.572  -2.399  -2.399
  143   2HG   PRO  18          2HG       PRO  18  -8.421  -3.024  -3.024
  144   1HD   PRO  18          1HD       PRO  18  -8.207  -4.682  -4.682
  145   2HD   PRO  18          2HD       PRO  18  -7.613  -5.348  -5.348
  146    H    CYS  19           H        CYS  19  -5.999  -2.533  -2.533
  147    HA   CYS  19           HA       CYS  19  -5.399  -0.870  -0.870
  148   1HB   CYS  19          1HB       CYS  19  -2.873  -0.174  -0.174
  149   2HB   CYS  19          2HB       CYS  19  -3.450   0.685   0.685
  150    H    CYS  20           H        CYS  20  -5.732   1.348   1.348
  151    HA   CYS  20           HA       CYS  20  -7.561   2.070   2.070
  152   1HB   CYS  20          1HB       CYS  20  -8.237   1.693   1.693
  153   2HB   CYS  20          2HB       CYS  20  -8.321   3.439   3.439
  154    H    ARG  21           H        ARG  21  -8.133   4.543   4.543
  155    HA   ARG  21           HA       ARG  21  -7.398   6.739   6.739
  156   1HB   ARG  21          1HB       ARG  21  -7.125   8.020   8.020
  157   2HB   ARG  21          2HB       ARG  21  -8.413   6.846   6.846
  158   1HG   ARG  21          1HG       ARG  21  -7.137   5.360   5.360
  159   2HG   ARG  21          2HG       ARG  21  -5.647   6.261   6.261
  160   1HD   ARG  21          1HD       ARG  21  -6.672   8.284   8.284
  161   2HD   ARG  21          2HD       ARG  21  -8.176   7.379   7.379
  162   1HH1  ARG  21          2HH2      ARG  21  -7.431   9.015   9.015
  163   2HH1  ARG  21          1HH2      ARG  21  -6.975   8.921   8.921
  164   1HH2  ARG  21          1HH1      ARG  21  -5.631   5.767   5.767
  165   2HH2  ARG  21          2HH1      ARG  21  -6.027   7.208   7.208
  166    H    GLY  22           H        GLY  22  -5.505   5.767   5.767
  167   1HA   GLY  22          1HA       GLY  22  -3.367   6.468   6.468
  168   2HA   GLY  22          2HA       GLY  22  -3.125   7.595   7.595
  169    H    ARG  23           H        ARG  23  -2.346   4.490   4.490
  170    HA   ARG  23           HA       ARG  23  -0.929   3.713   3.713
  171   1HB   ARG  23          1HB       ARG  23  -1.911   1.615   1.615
  172   2HB   ARG  23          2HB       ARG  23  -3.239   2.717   2.717
  173   1HG   ARG  23          1HG       ARG  23  -2.105   0.951   0.951
  174   2HG   ARG  23          2HG       ARG  23  -3.427   0.513   0.513
  175   1HD   ARG  23          1HD       ARG  23  -4.750   2.547   2.547
  176   2HD   ARG  23          2HD       ARG  23  -3.474   2.871   2.871
  177   1HH1  ARG  23          2HH2      ARG  23  -2.422   1.787   1.787
  178   2HH1  ARG  23          1HH2      ARG  23  -2.671   0.719   0.719
  179   1HH2  ARG  23          1HH1      ARG  23  -5.677  -0.524  -0.524
  180   2HH2  ARG  23          2HH1      ARG  23  -4.391  -0.502  -0.502
  181    H    GLY  24           H        GLY  24   0.313   1.865   1.865
  182   1HA   GLY  24          1HA       GLY  24   1.276   0.468   0.468
  183   2HA   GLY  24          2HA       GLY  24   2.511   1.676   1.676
  184    H    CYS  25           H        CYS  25   1.891  -1.037  -1.037
  185    HA   CYS  25           HA       CYS  25   2.466  -1.243  -1.243
  186   1HB   CYS  25          1HB       CYS  25   0.561  -2.594  -2.594
  187   2HB   CYS  25          2HB       CYS  25   1.462  -3.410  -3.410
  188    H    ILE  26           H        ILE  26   4.827  -0.446  -0.446
  189    HA   ILE  26           HA       ILE  26   6.800  -2.440  -2.440
  190    HB   ILE  26           HB       ILE  26   7.043  -0.265  -0.265
  191   1HG1  ILE  26          1HG1      ILE  26   8.093   1.209   1.209
  192   2HG1  ILE  26          2HG1      ILE  26   8.159   0.070   0.070
  193   1HG2  ILE  26          3HG2      ILE  26   9.229  -1.952  -1.952
  194   2HG2  ILE  26          1HG2      ILE  26   9.568  -0.412  -0.412
  195   3HG2  ILE  26          2HG2      ILE  26   8.808  -1.759  -1.759
  196   1HD1  ILE  26          3HD1      ILE  26   5.630   1.463   1.463
  197   2HD1  ILE  26          1HD1      ILE  26   6.574   2.032   2.032
  198   3HD1  ILE  26          2HD1      ILE  26   5.705   0.492   0.492
  199    H    CYS  27           H        CYS  27   7.644  -3.831  -3.831
  200    HA   CYS  27           HA       CYS  27   6.506  -4.563  -4.563
  201   1HB   CYS  27          1HB       CYS  27   6.985  -6.714  -6.714
  202   2HB   CYS  27          2HB       CYS  27   6.344  -6.939  -6.939
  203    H    SER  28           H        SER  28   7.775  -6.679  -6.679
  204    HA   SER  28           HA       SER  28  10.510  -5.735  -5.735
  205   1HB   SER  28          1HB       SER  28   8.485  -7.906  -7.906
  206   2HB   SER  28          2HB       SER  28   9.994  -7.602  -7.602
  207    HG   SER  28           HG       SER  28   7.976  -5.672  -5.672
  208    H    ILE  29           H        ILE  29  11.220  -8.393  -8.393
  209    HA   ILE  29           HA       ILE  29  12.041  -9.485  -9.485
  210    HB   ILE  29           HB       ILE  29  13.405 -10.475 -10.475
  211   1HG1  ILE  29          1HG1      ILE  29  15.356  -8.797  -8.797
  212   2HG1  ILE  29          2HG1      ILE  29  13.906  -7.829  -7.829
  213   1HG2  ILE  29          2HG2      ILE  29  13.608 -11.835 -11.835
  214   2HG2  ILE  29          3HG2      ILE  29  14.257 -10.428 -10.428
  215   3HG2  ILE  29          1HG2      ILE  29  15.172 -11.155 -11.155
  216   1HD1  ILE  29          2HD1      ILE  29  13.419  -7.956  -7.956
  217   2HD1  ILE  29          3HD1      ILE  29  14.886  -8.945  -8.945
  218   3HD1  ILE  29          1HD1      ILE  29  15.021  -7.263  -7.263
  219    H    MET  30           H        MET  30   9.624  -9.814  -9.814
  220    HA   MET  30           HA       MET  30   9.065 -12.718 -12.718
  221   1HB   MET  30          1HB       MET  30   9.117 -11.862 -11.862
  222   2HB   MET  30          2HB       MET  30   7.552 -11.208 -11.208
  223   1HG   MET  30          1HG       MET  30   8.419 -14.174 -14.174
  224   2HG   MET  30          2HG       MET  30   7.481 -13.462 -13.462
  225   1HE   MET  30          2HE       MET  30   6.495 -16.066 -16.066
  226   2HE   MET  30          1HE       MET  30   5.558 -15.278 -15.278
  227   3HE   MET  30          3HE       MET  30   4.765 -15.680 -15.680
  228    H    GLY  31           H        GLY  31   7.384  -9.577  -9.577
  229   1HA   GLY  31          1HA       GLY  31   5.554  -8.807  -8.807
  230   2HA   GLY  31          2HA       GLY  31   5.342 -10.433 -10.433
  231    H    THR  32           H        THR  32   5.322  -8.862  -8.862
  232    HA   THR  32           HA       THR  32   2.566  -9.770  -9.770
  233    HB   THR  32           HB       THR  32   3.491 -10.943 -10.943
  234    HG1  THR  32           HG1      THR  32   5.616 -10.465 -10.465
  235   1HG2  THR  32          2HG2      THR  32   2.195 -12.246 -12.246
  236   2HG2  THR  32          3HG2      THR  32   3.720 -12.541 -12.541
  237   3HG2  THR  32          1HG2      THR  32   3.497 -13.201 -13.201
  238    H    ASN  33           H        ASN  33   5.180  -9.102  -9.102
  239    HA   ASN  33           HA       ASN  33   4.226  -6.998  -6.998
  240   1HB   ASN  33          2HB       ASN  33   6.843  -8.384  -8.384
  241   2HB   ASN  33          1HB       ASN  33   7.027  -7.106  -7.106
  242   1HD2  ASN  33          1HD2      ASN  33   5.977  -8.873  -8.873
  243   2HD2  ASN  33          2HD2      ASN  33   6.221  -7.219  -7.219
  244    H    CYS  34           H        CYS  34   4.182  -6.567  -6.567
  245    HA   CYS  34           HA       CYS  34   5.890  -4.600  -4.600
  246   1HB   CYS  34          1HB       CYS  34   4.137  -6.244  -6.244
  247   2HB   CYS  34          2HB       CYS  34   2.939  -5.071  -5.071
  248    H    GLU  35           H        GLU  35   3.960  -2.976  -2.976
  249    HA   GLU  35           HA       GLU  35   2.428  -1.307  -1.307
  250   1HB   GLU  35          1HB       GLU  35   3.597   0.926   0.926
  251   2HB   GLU  35          2HB       GLU  35   4.287  -0.346  -0.346
  252   1HG   GLU  35          1HG       GLU  35   6.158  -0.604  -0.604
  253   2HG   GLU  35          2HG       GLU  35   5.468   0.770   0.770
  254    HE1  GLU  35           HE2      GLU  35   7.302   1.250   1.250
  255    H    CYS  36           H        CYS  36   1.258   0.418   0.418
  256    HA   CYS  36           HA       CYS  36   1.460   0.404   0.404
  257   1HB   CYS  36          1HB       CYS  36  -0.997   0.504   0.504
  258   2HB   CYS  36          2HB       CYS  36  -1.010   1.249   1.249
  259    H    LYS  37           H        LYS  37   2.801   2.148   2.148
  260    HA   LYS  37           HA       LYS  37   3.133   4.191   4.191
  261   1HB   LYS  37          1HB       LYS  37   4.478   3.481   3.481
  262   2HB   LYS  37          2HB       LYS  37   3.631   4.832   4.832
  263   1HG   LYS  37          1HG       LYS  37   5.758   5.665   5.665
  264   2HG   LYS  37          2HG       LYS  37   4.654   6.324   6.324
  265   1HD   LYS  37          1HD       LYS  37   6.643   5.614   5.614
  266   2HD   LYS  37          2HD       LYS  37   5.349   4.548   4.548
  267   1HE   LYS  37          1HE       LYS  37   7.368   3.226   3.226
  268   2HE   LYS  37          2HE       LYS  37   6.236   2.725   2.725
  269   1HZ   LYS  37          1HZ       LYS  37   8.540   4.570   4.570
  270   2HZ   LYS  37          2HZ       LYS  37   8.474   3.010   3.010
  271    HA   PRO  38           HA       PRO  38  -0.423   6.517   6.517
  272   1HB   PRO  38          1HB       PRO  38   1.164   9.154   9.154
  273   2HB   PRO  38          2HB       PRO  38  -0.108   8.759   8.759
  274   1HG   PRO  38          1HG       PRO  38   2.615   8.490   8.490
  275   2HG   PRO  38          2HG       PRO  38   1.403   7.481   7.481
  276   1HD   PRO  38          1HD       PRO  38   3.399   6.648   6.648
  277   2HD   PRO  38          2HD       PRO  38   2.290   5.630   5.630
  278    H    ARG  39           H        ARG  39   1.288   8.444   8.444
  279    HA   ARG  39           HA       ARG  39  -1.089   8.180   8.180
  280   1HB   ARG  39          1HB       ARG  39  -1.090  10.449  10.449
  281   2HB   ARG  39          2HB       ARG  39  -1.499  10.367  10.367
  282   1HG   ARG  39          1HG       ARG  39   0.801  11.202  11.202
  283   2HG   ARG  39          2HG       ARG  39   1.259  11.233  11.233
  284   1HD   ARG  39          1HD       ARG  39  -0.607  12.892  12.892
  285   2HD   ARG  39          2HD       ARG  39  -0.995  12.926  12.926
  286   1HH1  ARG  39          2HH2      ARG  39  -1.170  15.029  15.029
  287   2HH1  ARG  39          1HH2      ARG  39  -0.367  16.678  16.678
  288   1HH2  ARG  39          1HH1      ARG  39   2.629  15.440  15.440
  289   2HH2  ARG  39          2HH1      ARG  39   1.640  16.892  16.892
  290    H    LEU  40           H        LEU  40  -0.462   7.254   7.254
  291    HA   LEU  40           HA       LEU  40   2.426   7.481   7.481
  292   1HB   LEU  40          1HB       LEU  40   1.483   5.258   5.258
  293   2HB   LEU  40          2HB       LEU  40   0.348   5.645   5.645
  294    HG   LEU  40           HG       LEU  40   3.262   6.406   6.406
  295   1HD1  LEU  40          3HD2      LEU  40   3.558   4.167   4.167
  296   2HD1  LEU  40          1HD2      LEU  40   2.433   3.414   3.414
  297   3HD1  LEU  40          2HD2      LEU  40   3.986   4.078   4.078
  298   1HD2  LEU  40          2HD1      LEU  40   1.585   6.729   6.729
  299   2HD2  LEU  40          3HD1      LEU  40   2.803   5.547   5.547
  300   3HD2  LEU  40          1HD1      LEU  40   1.183   4.995   4.995
  301    H    ILE  41           H        ILE  41   2.625   9.137   9.137
  302    HA   ILE  41           HA       ILE  41   1.603  10.021  10.021
  303    HB   ILE  41           HB       ILE  41  -0.063  11.170  11.170
  304   1HG1  ILE  41          1HG1      ILE  41  -0.025  13.431  13.431
  305   2HG1  ILE  41          2HG1      ILE  41   1.608  13.184  13.184
  306   1HG2  ILE  41          3HG2      ILE  41   1.342  11.766  11.766
  307   2HG2  ILE  41          1HG2      ILE  41   2.182  13.011  13.011
  308   3HG2  ILE  41          2HG2      ILE  41   0.440  13.154  13.154
  309   1HD1  ILE  41          1HD1      ILE  41  -0.849  11.487  11.487
  310   2HD1  ILE  41          2HD1      ILE  41  -0.142  12.825  12.825
  311   3HD1  ILE  41          3HD1      ILE  41   0.793  11.337  11.337
  312    H    MET  42           H        MET  42   3.913   8.950   8.950
  313    HA   MET  42           HA       MET  42   6.023  10.686  10.686
  314   1HB   MET  42          1HB       MET  42   5.878  11.683  11.683
  315   2HB   MET  42          2HB       MET  42   6.273  10.112  10.112
  316   1HG   MET  42          1HG       MET  42   8.536  10.244  10.244
  317   2HG   MET  42          2HG       MET  42   8.066  11.856  11.856
  318   1HE   MET  42          1HE       MET  42   8.045   9.708   9.708
  319   2HE   MET  42          3HE       MET  42   9.721   9.800   9.800
  320   3HE   MET  42          2HE       MET  42   9.277  10.656  10.656
  321    H    GLU  43           H        GLU  43   5.691   7.955   7.955
  322    HA   GLU  43           HA       GLU  43   7.996   6.640   6.640
  323   1HB   GLU  43          1HB       GLU  43   5.864   6.434   6.434
  324   2HB   GLU  43          2HB       GLU  43   6.053   4.880   4.880
  325   1HG   GLU  43          1HG       GLU  43   8.400   6.668   6.668
  326   2HG   GLU  43          2HG       GLU  43   7.523   5.621   5.621
  327    HE1  GLU  43           HE2      GLU  43   8.943   2.624   2.624
  328    H    GLY  44           H        GLY  44   5.445   6.440   6.440
  329   1HA   GLY  44          1HA       GLY  44   6.527   4.544   4.544
  330   2HA   GLY  44          2HA       GLY  44   5.097   3.812   3.812
  331    H    LEU  45           H        LEU  45   6.241   6.728   6.728
  332    HA   LEU  45           HA       LEU  45   3.526   7.069   7.069
  333   1HB   LEU  45          1HB       LEU  45   5.234   9.181   9.181
  334   2HB   LEU  45          2HB       LEU  45   4.603   9.617   9.617
  335    HG   LEU  45           HG       LEU  45   3.236  10.371  10.371
  336   1HD1  LEU  45          3HD1      LEU  45   2.246  10.246  10.246
  337   2HD1  LEU  45          1HD1      LEU  45   1.680   8.586   8.586
  338   3HD1  LEU  45          2HD1      LEU  45   1.023   9.948   9.948
  339   1HD2  LEU  45          3HD2      LEU  45   3.358   8.342   8.342
  340   2HD2  LEU  45          1HD2      LEU  45   1.690   8.897   8.897
  341   3HD2  LEU  45          2HD2      LEU  45   2.291   7.464   7.464
  342    H    GLY  46           H        GLY  46   4.359   5.600   5.600
  343   1HA   GLY  46          1HA       GLY  46   5.074   5.897   5.897
  344   2HA   GLY  46          2HA       GLY  46   6.610   6.459   6.459
  345    H    LEU  47           H        LEU  47   4.460   3.700   3.700
  346    HA   LEU  47           HA       LEU  47   6.700   1.789   1.789
  347   1HB   LEU  47          1HB       LEU  47   3.751   1.543   1.543
  348   2HB   LEU  47          2HB       LEU  47   4.962   0.307   0.307
  349    HG   LEU  47           HG       LEU  47   5.077   3.119   3.119
  350   1HD1  LEU  47          3HD1      LEU  47   3.095   1.859   1.859
  351   2HD1  LEU  47          1HD1      LEU  47   4.122   0.469   0.469
  352   3HD1  LEU  47          2HD1      LEU  47   4.310   2.024   2.024
  353   1HD2  LEU  47          1HD2      LEU  47   6.742   0.594   0.594
  354   2HD2  LEU  47          2HD2      LEU  47   7.356   2.069   2.069
  355   3HD2  LEU  47          3HD2      LEU  47   6.788   2.136   2.136
  356    H    ALA  48           H        ALA  48   3.392   1.517   1.517
  357    HA   ALA  48           HA       ALA  48   4.469  -0.511  -0.511
  358   1HB   ALA  48          2HB       ALA  48   2.408  -1.136  -1.136
  359   2HB   ALA  48          3HB       ALA  48   1.554   0.299   0.299
  360   3HB   ALA  48          1HB       ALA  48   2.076  -0.987  -0.987
  361    HXT  ALA  48           HO        OH  49   4.655   1.604   1.604

  Start of MODEL    8
    1   1H    LYS   1          1H        LYS   1 -15.306  -8.618  -8.618
    2   2H    LYS   1          2H        LYS   1 -14.667  -9.394  -9.394
    3   3H    LYS   1          3H        LYS   1 -15.798 -10.150 -10.150
    4    HA   LYS   1           HA       LYS   1 -14.331 -10.204 -10.204
    5   1HB   LYS   1          1HB       LYS   1 -13.062 -11.424 -11.424
    6   2HB   LYS   1          2HB       LYS   1 -12.568 -11.817 -11.817
    7   1HG   LYS   1          1HG       LYS   1 -15.396 -12.316 -12.316
    8   2HG   LYS   1          2HG       LYS   1 -14.104 -13.501 -13.501
    9   1HD   LYS   1          1HD       LYS   1 -14.014 -13.488 -13.488
   10   2HD   LYS   1          2HD       LYS   1 -15.211 -12.211 -12.211
   11   1HE   LYS   1          1HE       LYS   1 -15.773 -14.996 -14.996
   12   2HE   LYS   1          2HE       LYS   1 -16.080 -14.568 -14.568
   13   1HZ   LYS   1          1HZ       LYS   1 -17.624 -12.878 -12.878
   14   2HZ   LYS   1          2HZ       LYS   1 -18.062 -14.342 -14.342
   15    H    LYS   2           H        LYS   2 -12.319  -9.185  -9.185
   16    HA   LYS   2           HA       LYS   2 -10.368  -7.809  -7.809
   17   1HB   LYS   2          1HB       LYS   2  -9.113  -7.198  -7.198
   18   2HB   LYS   2          2HB       LYS   2  -9.496  -8.898  -8.898
   19   1HG   LYS   2          1HG       LYS   2 -11.370  -8.414  -8.414
   20   2HG   LYS   2          2HG       LYS   2 -10.797  -6.757  -6.757
   21   1HD   LYS   2          1HD       LYS   2  -9.102  -9.260  -9.260
   22   2HD   LYS   2          2HD       LYS   2  -9.994  -8.318  -8.318
   23   1HE   LYS   2          1HE       LYS   2  -8.597  -6.268  -6.268
   24   2HE   LYS   2          2HE       LYS   2  -7.681  -7.194  -7.194
   25   1HZ   LYS   2          1HZ       LYS   2  -6.583  -7.089  -7.089
   26   2HZ   LYS   2          2HZ       LYS   2  -7.838  -7.818  -7.818
   27    H    LYS   3           H        LYS   3 -10.745  -5.907  -5.907
   28    HA   LYS   3           HA       LYS   3 -12.425  -3.741  -3.741
   29   1HB   LYS   3          1HB       LYS   3 -13.350  -5.218  -5.218
   30   2HB   LYS   3          2HB       LYS   3 -13.916  -3.625  -3.625
   31   1HG   LYS   3          1HG       LYS   3 -14.880  -4.528  -4.528
   32   2HG   LYS   3          2HG       LYS   3 -14.319  -6.148  -6.148
   33   1HD   LYS   3          1HD       LYS   3 -16.287  -4.578  -4.578
   34   2HD   LYS   3          2HD       LYS   3 -16.777  -5.648  -5.648
   35   1HE   LYS   3          1HE       LYS   3 -15.654  -7.616  -7.616
   36   2HE   LYS   3          2HE       LYS   3 -15.135  -6.579  -6.579
   37   1HZ   LYS   3          1HZ       LYS   3 -17.961  -7.033  -7.033
   38   2HZ   LYS   3          2HZ       LYS   3 -17.466  -6.103  -6.103
   39    H    CYS   4           H        CYS   4 -10.694  -2.473  -2.473
   40    HA   CYS   4           HA       CYS   4  -8.459  -2.297  -2.297
   41   1HB   CYS   4          2HB       CYS   4  -8.647  -0.038  -0.038
   42   2HB   CYS   4          1HB       CYS   4  -9.533  -0.305  -0.305
   43    H    ILE   5           H        ILE   5  -7.255  -0.672  -0.672
   44    HA   ILE   5           HA       ILE   5  -7.412  -1.067  -1.067
   45    HB   ILE   5           HB       ILE   5  -5.025  -0.522  -0.522
   46   1HG1  ILE   5          1HG1      ILE   5  -6.249  -3.124  -3.124
   47   2HG1  ILE   5          2HG1      ILE   5  -5.423  -2.632  -2.632
   48   1HG2  ILE   5          2HG2      ILE   5  -4.674   0.385   0.385
   49   2HG2  ILE   5          3HG2      ILE   5  -4.974  -1.226  -1.226
   50   3HG2  ILE   5          1HG2      ILE   5  -3.566  -0.946  -0.946
   51   1HD1  ILE   5          3HD1      ILE   5  -3.166  -2.949  -2.949
   52   2HD1  ILE   5          1HD1      ILE   5  -3.970  -3.506  -3.506
   53   3HD1  ILE   5          2HD1      ILE   5  -4.142  -4.436  -4.436
   54    H    ALA   6           H        ALA   6  -7.964   0.865   0.865
   55    HA   ALA   6           HA       ALA   6  -7.377   3.534   3.534
   56   1HB   ALA   6          2HB       ALA   6  -9.798   3.186   3.186
   57   2HB   ALA   6          3HB       ALA   6  -9.637   2.969   2.969
   58   3HB   ALA   6          1HB       ALA   6  -9.239   4.535   4.535
   59    H    LYS   7           H        LYS   7  -5.244   2.923   2.923
   60    HA   LYS   7           HA       LYS   7  -4.519   4.534   4.534
   61   1HB   LYS   7          1HB       LYS   7  -3.310   2.720   2.720
   62   2HB   LYS   7          2HB       LYS   7  -5.047   2.835   2.835
   63   1HG   LYS   7          1HG       LYS   7  -5.364   0.812   0.812
   64   2HG   LYS   7          2HG       LYS   7  -3.628   0.736   0.736
   65   1HD   LYS   7          1HD       LYS   7  -4.129  -0.914  -0.914
   66   2HD   LYS   7          2HD       LYS   7  -3.300   0.373   0.373
   67   1HE   LYS   7          1HE       LYS   7  -5.564   1.230   1.230
   68   2HE   LYS   7          2HE       LYS   7  -6.376  -0.057  -0.057
   69   1HZ   LYS   7          1HZ       LYS   7  -4.385  -0.476  -0.476
   70   2HZ   LYS   7          2HZ       LYS   7  -5.118  -1.672  -1.672
   71    H    ASP   8           H        ASP   8  -2.665   5.510   5.510
   72    HA   ASP   8           HA       ASP   8  -1.112   4.641   4.641
   73   1HB   ASP   8          1HB       ASP   8  -0.589   6.726   6.726
   74   2HB   ASP   8          2HB       ASP   8   0.162   6.612   6.612
   75    HD2  ASP   8           HD2      ASP   8  -3.104   8.729   8.729
   76    H    TYR   9           H        TYR   9   0.528   3.151   3.151
   77    HA   TYR   9           HA       TYR   9   2.362   2.078   2.078
   78   1HB   TYR   9          2HB       TYR   9   2.544   2.810   2.810
   79   2HB   TYR   9          1HB       TYR   9   3.740   1.963   1.963
   80    HD1  TYR   9           HD1      TYR   9   5.251   3.215   3.215
   81    HD2  TYR   9           HD2      TYR   9   2.516   5.292   5.292
   82    HE1  TYR   9           HE1      TYR   9   6.543   5.282   5.282
   83    HE2  TYR   9           HE2      TYR   9   3.782   7.338   7.338
   84    HH   TYR   9           HH       TYR   9   5.571   8.295   8.295
   85    H    GLY  10           H        GLY  10  -0.162   1.164   1.164
   86   1HA   GLY  10          1HA       GLY  10  -0.798  -0.448  -0.448
   87   2HA   GLY  10          2HA       GLY  10  -1.904  -0.074  -0.074
   88    H    ARG  11           H        ARG  11   0.092  -2.187  -2.187
   89    HA   ARG  11           HA       ARG  11   1.182  -3.973  -3.973
   90   1HB   ARG  11          1HB       ARG  11  -1.196  -5.068  -5.068
   91   2HB   ARG  11          2HB       ARG  11   0.371  -5.811  -5.811
   92   1HG   ARG  11          1HG       ARG  11  -0.365  -3.324  -3.324
   93   2HG   ARG  11          2HG       ARG  11   0.221  -4.844  -4.844
   94   1HD   ARG  11          1HD       ARG  11   1.960  -2.913  -2.913
   95   2HD   ARG  11          2HD       ARG  11   1.830  -2.819  -2.819
   96   1HH1  ARG  11          2HH2      ARG  11   4.129  -2.448  -2.448
   97   2HH1  ARG  11          1HH2      ARG  11   5.751  -3.286  -3.286
   98   1HH2  ARG  11          1HH1      ARG  11   4.333  -6.405  -6.405
   99   2HH2  ARG  11          2HH1      ARG  11   5.856  -5.385  -5.385
  100    H    CYS  12           H        CYS  12   0.831  -3.784  -3.784
  101    HA   CYS  12           HA       CYS  12  -1.312  -4.846  -4.846
  102   1HB   CYS  12          2HB       CYS  12  -0.450  -3.799  -3.799
  103   2HB   CYS  12          1HB       CYS  12   0.012  -2.767  -2.767
  104    H    LYS  13           H        LYS  13  -0.803  -5.894  -5.894
  105    HA   LYS  13           HA       LYS  13   1.293  -7.956  -7.956
  106   1HB   LYS  13          1HB       LYS  13  -0.514  -9.132  -9.132
  107   2HB   LYS  13          2HB       LYS  13  -1.565  -9.135  -9.135
  108   1HG   LYS  13          1HG       LYS  13   0.254 -10.464 -10.464
  109   2HG   LYS  13          2HG       LYS  13   1.212 -10.500 -10.500
  110   1HD   LYS  13          1HD       LYS  13  -1.620 -11.675 -11.675
  111   2HD   LYS  13          2HD       LYS  13  -0.119 -12.577 -12.577
  112   1HE   LYS  13          1HE       LYS  13   0.487 -12.137 -12.137
  113   2HE   LYS  13          2HE       LYS  13  -1.028 -11.249 -11.249
  114   1HZ   LYS  13          1HZ       LYS  13  -0.838 -14.092 -14.092
  115   2HZ   LYS  13          2HZ       LYS  13  -2.232 -13.265 -13.265
  116    H    TRP  14           H        TRP  14   1.555  -8.758  -8.758
  117    HA   TRP  14           HA       TRP  14   0.091  -7.431  -7.431
  118   1HB   TRP  14          1HB       TRP  14   2.739  -8.990  -8.990
  119   2HB   TRP  14          2HB       TRP  14   1.892  -8.503  -8.503
  120    HD1  TRP  14           HD1      TRP  14   1.297  -5.312  -5.312
  121    HE1  TRP  14           HE1      TRP  14   3.189  -3.555  -3.555
  122    HE3  TRP  14           HE3      TRP  14   4.982  -8.656  -8.656
  123    HZ2  TRP  14           HZ2      TRP  14   5.942  -3.744  -3.744
  124    HZ3  TRP  14           HZ3      TRP  14   7.246  -7.789  -7.789
  125    HH2  TRP  14           HH2      TRP  14   7.721  -5.373  -5.373
  126    H    GLY  15           H        GLY  15  -1.674  -8.523  -8.523
  127   1HA   GLY  15          1HA       GLY  15  -3.013 -10.527 -10.527
  128   2HA   GLY  15          2HA       GLY  15  -1.813 -11.596 -11.596
  129    H    GLY  16           H        GLY  16  -3.326  -8.667  -8.667
  130   1HA   GLY  16          1HA       GLY  16  -4.974 -10.195 -10.195
  131   2HA   GLY  16          2HA       GLY  16  -3.744  -9.035  -9.035
  132    H    THR  17           H        THR  17  -5.201  -7.874  -7.874
  133    HA   THR  17           HA       THR  17  -7.476  -6.465  -6.465
  134    HB   THR  17           HB       THR  17  -6.037  -4.678  -4.678
  135    HG1  THR  17           HG1      THR  17  -7.123  -7.177  -7.177
  136   1HG2  THR  17          2HG2      THR  17  -8.273  -4.249  -4.249
  137   2HG2  THR  17          3HG2      THR  17  -8.920  -5.652  -5.652
  138   3HG2  THR  17          1HG2      THR  17  -8.172  -4.304  -4.304
  139    HA   PRO  18           HA       PRO  18  -5.157  -3.803  -3.803
  140   1HB   PRO  18          1HB       PRO  18  -7.031  -1.757  -1.757
  141   2HB   PRO  18          2HB       PRO  18  -7.226  -3.410  -3.410
  142   1HG   PRO  18          1HG       PRO  18  -8.223  -2.340  -2.340
  143   2HG   PRO  18          2HG       PRO  18  -9.269  -2.949  -2.949
  144   1HD   PRO  18          1HD       PRO  18  -8.564  -4.737  -4.737
  145   2HD   PRO  18          2HD       PRO  18  -8.184  -5.217  -5.217
  146    H    CYS  19           H        CYS  19  -6.454  -2.335  -2.335
  147    HA   CYS  19           HA       CYS  19  -5.816  -0.570  -0.570
  148   1HB   CYS  19          1HB       CYS  19  -3.429   0.213   0.213
  149   2HB   CYS  19          2HB       CYS  19  -3.937   0.974   0.974
  150    H    CYS  20           H        CYS  20  -6.365   1.555   1.555
  151    HA   CYS  20           HA       CYS  20  -8.477   1.919   1.919
  152   1HB   CYS  20          1HB       CYS  20  -8.611   1.886   1.886
  153   2HB   CYS  20          2HB       CYS  20  -8.995   3.467   3.467
  154    H    ARG  21           H        ARG  21  -6.673   4.271   4.271
  155    HA   ARG  21           HA       ARG  21  -7.084   6.428   6.428
  156   1HB   ARG  21          1HB       ARG  21  -7.378   6.654   6.654
  157   2HB   ARG  21          2HB       ARG  21  -7.461   8.006   8.006
  158   1HG   ARG  21          1HG       ARG  21  -9.418   5.611   5.611
  159   2HG   ARG  21          2HG       ARG  21  -9.682   7.027   7.027
  160   1HD   ARG  21          1HD       ARG  21  -9.594   8.504   8.504
  161   2HD   ARG  21          2HD       ARG  21  -9.362   7.055   7.055
  162   1HH1  ARG  21          2HH2      ARG  21 -10.663   8.701   8.701
  163   2HH1  ARG  21          1HH2      ARG  21 -12.386   8.855   8.855
  164   1HH2  ARG  21          1HH1      ARG  21 -13.693   6.901   6.901
  165   2HH2  ARG  21          2HH1      ARG  21 -13.985   7.903   7.903
  166    H    GLY  22           H        GLY  22  -5.004   5.695   5.695
  167   1HA   GLY  22          1HA       GLY  22  -2.764   6.843   6.843
  168   2HA   GLY  22          2HA       GLY  22  -2.726   7.237   7.237
  169    H    ARG  23           H        ARG  23  -1.932   4.942   4.942
  170    HA   ARG  23           HA       ARG  23  -1.146   2.850   2.850
  171   1HB   ARG  23          1HB       ARG  23  -1.889   1.072   1.072
  172   2HB   ARG  23          2HB       ARG  23  -3.215   2.151   2.151
  173   1HG   ARG  23          1HG       ARG  23  -1.714   2.473   2.473
  174   2HG   ARG  23          2HG       ARG  23  -2.572   0.981   0.981
  175   1HD   ARG  23          1HD       ARG  23  -4.140   2.278   2.278
  176   2HD   ARG  23          2HD       ARG  23  -4.718   2.288   2.288
  177   1HH1  ARG  23          2HH2      ARG  23  -6.295   3.402   3.402
  178   2HH1  ARG  23          1HH2      ARG  23  -6.936   5.110   5.110
  179   1HH2  ARG  23          1HH1      ARG  23  -3.861   6.563   6.563
  180   2HH2  ARG  23          2HH1      ARG  23  -5.648   6.778   6.778
  181    H    GLY  24           H        GLY  24   0.199   1.232   1.232
  182   1HA   GLY  24          1HA       GLY  24   2.668   2.006   2.006
  183   2HA   GLY  24          2HA       GLY  24   2.821   2.063   2.063
  184    H    CYS  25           H        CYS  25   2.562   0.434   0.434
  185    HA   CYS  25           HA       CYS  25   2.465  -1.768  -1.768
  186   1HB   CYS  25          1HB       CYS  25   0.599  -2.466  -2.466
  187   2HB   CYS  25          2HB       CYS  25   1.681  -2.955  -2.955
  188    H    ILE  26           H        ILE  26   4.788  -0.587  -0.587
  189    HA   ILE  26           HA       ILE  26   6.813  -2.613  -2.613
  190    HB   ILE  26           HB       ILE  26   7.050  -0.160  -0.160
  191   1HG1  ILE  26          1HG1      ILE  26   7.823  -0.524  -0.524
  192   2HG1  ILE  26          2HG1      ILE  26   6.398   0.307   0.307
  193   1HG2  ILE  26          3HG2      ILE  26   9.178  -2.124  -2.124
  194   2HG2  ILE  26          1HG2      ILE  26   9.603  -0.459  -0.459
  195   3HG2  ILE  26          2HG2      ILE  26   8.785  -1.587  -1.587
  196   1HD1  ILE  26          1HD1      ILE  26   9.190   1.381   1.381
  197   2HD1  ILE  26          2HD1      ILE  26   8.056   1.956   1.956
  198   3HD1  ILE  26          3HD1      ILE  26   7.624   2.118   2.118
  199    H    CYS  27           H        CYS  27   8.035  -3.654  -3.654
  200    HA   CYS  27           HA       CYS  27   6.371  -4.820  -4.820
  201   1HB   CYS  27          1HB       CYS  27   8.536  -6.187  -6.187
  202   2HB   CYS  27          2HB       CYS  27   7.804  -6.940  -6.940
  203    H    SER  28           H        SER  28   7.583  -6.291  -6.291
  204    HA   SER  28           HA       SER  28   8.920  -4.281  -4.281
  205   1HB   SER  28          1HB       SER  28   7.431  -7.007  -7.007
  206   2HB   SER  28          2HB       SER  28   8.029  -6.026  -6.026
  207    HG   SER  28           HG       SER  28   5.863  -5.632  -5.632
  208    H    ILE  29           H        ILE  29   9.897  -6.361  -6.361
  209    HA   ILE  29           HA       ILE  29  12.549  -6.937  -6.937
  210    HB   ILE  29           HB       ILE  29  11.678  -7.574  -7.574
  211   1HG1  ILE  29          1HG1      ILE  29  11.058  -5.121  -5.121
  212   2HG1  ILE  29          2HG1      ILE  29  11.961  -5.515  -5.515
  213   1HG2  ILE  29          2HG2      ILE  29  13.875  -8.500  -8.500
  214   2HG2  ILE  29          3HG2      ILE  29  14.418  -6.913  -6.913
  215   3HG2  ILE  29          1HG2      ILE  29  14.115  -7.198  -7.198
  216   1HD1  ILE  29          2HD1      ILE  29  13.103  -4.349  -4.349
  217   2HD1  ILE  29          3HD1      ILE  29  12.755  -3.408  -3.408
  218   3HD1  ILE  29          1HD1      ILE  29  14.080  -4.595  -4.595
  219    H    MET  30           H        MET  30  10.699  -8.305  -8.305
  220    HA   MET  30           HA       MET  30  11.445 -11.199 -11.199
  221   1HB   MET  30          1HB       MET  30   9.737 -10.909 -10.909
  222   2HB   MET  30          2HB       MET  30   8.513 -10.566 -10.566
  223   1HG   MET  30          1HG       MET  30   8.810 -12.884 -12.884
  224   2HG   MET  30          2HG       MET  30  10.169 -13.182 -13.182
  225   1HE   MET  30          2HE       MET  30   7.548 -15.067 -15.067
  226   2HE   MET  30          1HE       MET  30   8.918 -15.393 -15.393
  227   3HE   MET  30          3HE       MET  30   7.243 -15.384 -15.384
  228    H    GLY  31           H        GLY  31   8.975  -8.978  -8.978
  229   1HA   GLY  31          1HA       GLY  31   8.366  -8.884  -8.884
  230   2HA   GLY  31          2HA       GLY  31   9.149 -10.407 -10.407
  231    H    THR  32           H        THR  32   6.602  -9.331  -9.331
  232    HA   THR  32           HA       THR  32   4.537 -11.244 -11.244
  233    HB   THR  32           HB       THR  32   4.234 -12.316 -12.316
  234    HG1  THR  32           HG1      THR  32   6.935 -11.549 -11.549
  235   1HG2  THR  32          2HG2      THR  32   5.156 -13.657 -13.657
  236   2HG2  THR  32          3HG2      THR  32   6.806 -13.231 -13.231
  237   3HG2  THR  32          1HG2      THR  32   5.753 -14.191 -14.191
  238    H    ASN  33           H        ASN  33   4.888 -10.049 -10.049
  239    HA   ASN  33           HA       ASN  33   2.326  -8.901  -8.901
  240   1HB   ASN  33          2HB       ASN  33   4.582  -9.400  -9.400
  241   2HB   ASN  33          1HB       ASN  33   4.556  -7.711  -7.711
  242   1HD2  ASN  33          1HD2      ASN  33   1.852  -9.696  -9.696
  243   2HD2  ASN  33          2HD2      ASN  33   3.159 -10.510 -10.510
  244    H    CYS  34           H        CYS  34   4.513  -7.482  -7.482
  245    HA   CYS  34           HA       CYS  34   5.426  -5.155  -5.155
  246   1HB   CYS  34          1HB       CYS  34   3.067  -5.640  -5.640
  247   2HB   CYS  34          2HB       CYS  34   4.401  -4.754  -4.754
  248    H    GLU  35           H        GLU  35   3.557  -3.203  -3.203
  249    HA   GLU  35           HA       GLU  35   1.970  -1.856  -1.856
  250   1HB   GLU  35          1HB       GLU  35   3.493   0.131   0.131
  251   2HB   GLU  35          2HB       GLU  35   3.831  -1.342  -1.342
  252   1HG   GLU  35          1HG       GLU  35   5.926  -0.429  -0.429
  253   2HG   GLU  35          2HG       GLU  35   5.794  -1.770  -1.770
  254    HE2  GLU  35           HE2      GLU  35   7.189   0.497   0.497
  255    H    CYS  36           H        CYS  36   0.823  -0.104  -0.104
  256    HA   CYS  36           HA       CYS  36   1.249   0.085   0.085
  257   1HB   CYS  36          1HB       CYS  36  -1.228   0.530   0.530
  258   2HB   CYS  36          2HB       CYS  36  -1.048   1.350   1.350
  259    H    LYS  37           H        LYS  37   2.933   1.498   1.498
  260    HA   LYS  37           HA       LYS  37   3.581   3.564   3.564
  261   1HB   LYS  37          1HB       LYS  37   4.946   2.576   2.576
  262   2HB   LYS  37          2HB       LYS  37   4.135   3.729   3.729
  263   1HG   LYS  37          1HG       LYS  37   6.253   4.702   4.702
  264   2HG   LYS  37          2HG       LYS  37   5.099   5.616   5.616
  265   1HD   LYS  37          1HD       LYS  37   6.913   5.304   5.304
  266   2HD   LYS  37          2HD       LYS  37   5.723   4.146   4.146
  267   1HE   LYS  37          1HE       LYS  37   6.980   2.289   2.289
  268   2HE   LYS  37          2HE       LYS  37   8.180   3.488   3.488
  269   1HZ   LYS  37          1HZ       LYS  37   8.860   2.286   2.286
  270   2HZ   LYS  37          2HZ       LYS  37   7.533   2.750   2.750
  271    HA   PRO  38           HA       PRO  38   0.414   6.380   6.380
  272   1HB   PRO  38          1HB       PRO  38   2.351   8.708   8.708
  273   2HB   PRO  38          2HB       PRO  38   1.047   8.661   8.661
  274   1HG   PRO  38          1HG       PRO  38   3.647   7.996   7.996
  275   2HG   PRO  38          2HG       PRO  38   2.278   7.181   7.181
  276   1HD   PRO  38          1HD       PRO  38   4.193   6.065   6.065
  277   2HD   PRO  38          2HD       PRO  38   3.047   5.202   5.202
  278    H    ARG  39           H        ARG  39   2.034   7.984   7.984
  279    HA   ARG  39           HA       ARG  39  -0.234   7.204   7.204
  280   1HB   ARG  39          1HB       ARG  39  -1.120   9.148   9.148
  281   2HB   ARG  39          2HB       ARG  39  -1.365   9.173   9.173
  282   1HG   ARG  39          1HG       ARG  39   0.570  10.863  10.863
  283   2HG   ARG  39          2HG       ARG  39   0.660  10.859  10.859
  284   1HD   ARG  39          1HD       ARG  39  -1.790  11.601  11.601
  285   2HD   ARG  39          2HD       ARG  39  -1.779  11.742  11.742
  286   1HH1  ARG  39          2HH2      ARG  39  -3.015  13.498  13.498
  287   2HH1  ARG  39          1HH2      ARG  39  -2.912  15.328  15.328
  288   1HH2  ARG  39          1HH1      ARG  39   0.473  15.340  15.340
  289   2HH2  ARG  39          2HH1      ARG  39  -1.072  16.297  16.297
  290    H    LEU  40           H        LEU  40   0.852   6.265   6.265
  291    HA   LEU  40           HA       LEU  40   3.019   7.769   7.769
  292   1HB   LEU  40          1HB       LEU  40   3.974   5.740   5.740
  293   2HB   LEU  40          2HB       LEU  40   2.882   4.737   4.737
  294    HG   LEU  40           HG       LEU  40   4.405   6.928   6.928
  295   1HD1  LEU  40          2HD2      LEU  40   6.207   6.023   6.023
  296   2HD1  LEU  40          3HD2      LEU  40   5.852   4.360   4.360
  297   3HD1  LEU  40          1HD2      LEU  40   6.493   5.557   5.557
  298   1HD2  LEU  40          3HD1      LEU  40   2.887   5.432   5.432
  299   2HD2  LEU  40          1HD1      LEU  40   4.564   5.209   5.209
  300   3HD2  LEU  40          2HD1      LEU  40   3.790   3.997   3.997
  301    H    ILE  41           H        ILE  41   2.041   8.645   8.645
  302    HA   ILE  41           HA       ILE  41  -0.071   7.563   7.563
  303    HB   ILE  41           HB       ILE  41  -1.363   9.731   9.731
  304   1HG1  ILE  41          1HG1      ILE  41  -0.392   9.937   9.937
  305   2HG1  ILE  41          2HG1      ILE  41   0.291  10.922  10.922
  306   1HG2  ILE  41          2HG2      ILE  41  -2.284   7.511   7.511
  307   2HG2  ILE  41          3HG2      ILE  41  -1.701   7.783   7.783
  308   3HG2  ILE  41          1HG2      ILE  41  -2.960   8.831   8.831
  309   1HD1  ILE  41          1HD1      ILE  41  -1.972  11.924  11.924
  310   2HD1  ILE  41          2HD1      ILE  41  -2.667  11.001  11.001
  311   3HD1  ILE  41          3HD1      ILE  41  -1.414  12.221  12.221
  312    H    MET  42           H        MET  42   0.947  10.355  10.355
  313    HA   MET  42           HA       MET  42   3.142  10.337  10.337
  314   1HB   MET  42          1HB       MET  42   1.254  12.763  12.763
  315   2HB   MET  42          2HB       MET  42   2.787  12.812  12.812
  316   1HG   MET  42          1HG       MET  42   0.434  10.992  10.992
  317   2HG   MET  42          2HG       MET  42   0.866  12.538  12.538
  318   1HE   MET  42          2HE       MET  42   0.949  11.263  11.263
  319   2HE   MET  42          1HE       MET  42   2.070   9.921   9.921
  320   3HE   MET  42          3HE       MET  42   0.684   9.646   9.646
  321    H    GLU  43           H        GLU  43   4.192   9.561   9.561
  322    HA   GLU  43           HA       GLU  43   4.361   9.816   9.816
  323   1HB   GLU  43          1HB       GLU  43   6.271   9.309   9.309
  324   2HB   GLU  43          2HB       GLU  43   5.912   8.922   8.922
  325   1HG   GLU  43          1HG       GLU  43   6.848  11.179  11.179
  326   2HG   GLU  43          2HG       GLU  43   7.480  11.333  11.333
  327    HE2  GLU  43           HE2      GLU  43   9.385   9.091   9.091
  328    H    GLY  44           H        GLY  44   3.265  10.755  10.755
  329   1HA   GLY  44          1HA       GLY  44   2.367  12.283  12.283
  330   2HA   GLY  44          2HA       GLY  44   3.936  13.036  13.036
  331    H    LEU  45           H        LEU  45   2.083  13.215  13.215
  332    HA   LEU  45           HA       LEU  45   1.353  16.130  16.130
  333   1HB   LEU  45          1HB       LEU  45   2.582  15.002  15.002
  334   2HB   LEU  45          2HB       LEU  45   2.133  16.661  16.661
  335    HG   LEU  45           HG       LEU  45   4.257  15.360  15.360
  336   1HD1  LEU  45          3HD2      LEU  45   4.961  14.884  14.884
  337   2HD1  LEU  45          1HD2      LEU  45   4.785  16.598  16.598
  338   3HD1  LEU  45          2HD2      LEU  45   6.018  16.097  16.097
  339   1HD2  LEU  45          1HD1      LEU  45   3.386  17.596  17.596
  340   2HD2  LEU  45          2HD1      LEU  45   5.090  17.693  17.693
  341   3HD2  LEU  45          3HD1      LEU  45   3.820  18.298  18.298
  342    H    GLY  46           H        GLY  46  -0.759  15.103  15.103
  343   1HA   GLY  46          1HA       GLY  46  -2.489  15.943  15.943
  344   2HA   GLY  46          2HA       GLY  46  -2.532  14.191  14.191
  345    H    LEU  47           H        LEU  47  -3.729  13.270  13.270
  346    HA   LEU  47           HA       LEU  47  -5.102  14.887  14.887
  347   1HB   LEU  47          1HB       LEU  47  -7.385  14.529  14.529
  348   2HB   LEU  47          2HB       LEU  47  -6.531  15.638  15.638
  349    HG   LEU  47           HG       LEU  47  -6.892  12.726  12.726
  350   1HD1  LEU  47          2HD1      LEU  47  -9.162  13.506  13.506
  351   2HD1  LEU  47          3HD1      LEU  47  -8.984  14.968  14.968
  352   3HD1  LEU  47          1HD1      LEU  47  -9.041  13.355  13.355
  353   1HD2  LEU  47          3HD2      LEU  47  -6.637  15.365  15.365
  354   2HD2  LEU  47          1HD2      LEU  47  -5.377  14.120  14.120
  355   3HD2  LEU  47          2HD2      LEU  47  -6.869  13.746  13.746
  356    H    ALA  48           H        ALA  48  -5.575  11.696  11.696
  357    HA   ALA  48           HA       ALA  48  -6.338  10.459  10.459
  358   1HB   ALA  48          3HB       ALA  48  -7.500   9.768   9.768
  359   2HB   ALA  48          1HB       ALA  48  -5.973   9.147   9.147
  360   3HB   ALA  48          2HB       ALA  48  -6.691   8.386   8.386
  361    HXT  ALA  48           HO        OH  49  -3.278   9.440   9.440

  Start of MODEL    9
    1   1H    LYS   1          3H        LYS   1  -8.870  -6.533  -6.533
    2   2H    LYS   1          1H        LYS   1  -8.020  -6.499  -6.499
    3   3H    LYS   1          2H        LYS   1  -7.423  -5.740  -5.740
    4    HA   LYS   1           HA       LYS   1  -9.234  -4.169  -4.169
    5   1HB   LYS   1          1HB       LYS   1  -7.680  -4.289  -4.289
    6   2HB   LYS   1          2HB       LYS   1  -8.685  -2.931  -2.931
    7   1HG   LYS   1          1HG       LYS   1  -6.292  -3.874  -3.874
    8   2HG   LYS   1          2HG       LYS   1  -6.198  -2.659  -2.659
    9   1HD   LYS   1          1HD       LYS   1  -7.904  -1.230  -1.230
   10   2HD   LYS   1          2HD       LYS   1  -7.946  -2.418  -2.418
   11   1HE   LYS   1          1HE       LYS   1  -5.447  -2.053  -2.053
   12   2HE   LYS   1          2HE       LYS   1  -5.440  -0.835  -0.835
   13   1HZ   LYS   1          1HZ       LYS   1  -7.034   0.454   0.454
   14   2HZ   LYS   1          2HZ       LYS   1  -5.683   0.181   0.181
   15    H    LYS   2           H        LYS   2  -9.436  -6.010  -6.010
   16    HA   LYS   2           HA       LYS   2 -11.232  -6.809  -6.809
   17   1HB   LYS   2          1HB       LYS   2 -12.060  -7.717  -7.717
   18   2HB   LYS   2          2HB       LYS   2 -13.036  -6.303  -6.303
   19   1HG   LYS   2          1HG       LYS   2 -13.429  -7.934  -7.934
   20   2HG   LYS   2          2HG       LYS   2 -14.043  -8.530  -8.530
   21   1HD   LYS   2          1HD       LYS   2 -15.426  -6.452  -6.452
   22   2HD   LYS   2          2HD       LYS   2 -14.808  -5.790  -5.790
   23   1HE   LYS   2          1HE       LYS   2 -16.985  -6.645  -6.645
   24   2HE   LYS   2          2HE       LYS   2 -15.841  -7.718  -7.718
   25   1HZ   LYS   2          1HZ       LYS   2 -17.606  -8.908  -8.908
   26   2HZ   LYS   2          2HZ       LYS   2 -17.231  -8.240  -8.240
   27    H    LYS   3           H        LYS   3 -11.748  -5.751  -5.751
   28    HA   LYS   3           HA       LYS   3 -12.402  -4.134  -4.134
   29   1HB   LYS   3          1HB       LYS   3 -14.257  -2.980  -2.980
   30   2HB   LYS   3          2HB       LYS   3 -14.124  -2.359  -2.359
   31   1HG   LYS   3          1HG       LYS   3 -14.820  -4.547  -4.547
   32   2HG   LYS   3          2HG       LYS   3 -14.914  -5.267  -5.267
   33   1HD   LYS   3          1HD       LYS   3 -16.695  -3.619  -3.619
   34   2HD   LYS   3          2HD       LYS   3 -16.625  -2.856  -2.856
   35   1HE   LYS   3          1HE       LYS   3 -17.409  -5.819  -5.819
   36   2HE   LYS   3          2HE       LYS   3 -18.559  -4.491  -4.491
   37   1HZ   LYS   3          1HZ       LYS   3 -17.820  -4.068  -4.068
   38   2HZ   LYS   3          2HZ       LYS   3 -18.343  -5.608  -5.608
   39    H    CYS   4           H        CYS   4 -10.452  -3.380  -3.380
   40    HA   CYS   4           HA       CYS   4  -8.440  -2.265  -2.265
   41   1HB   CYS   4          1HB       CYS   4  -8.503   0.105   0.105
   42   2HB   CYS   4          2HB       CYS   4  -9.675  -0.519  -0.519
   43    H    ILE   5           H        ILE   5  -6.931  -0.729  -0.729
   44    HA   ILE   5           HA       ILE   5  -6.801  -1.427  -1.427
   45    HB   ILE   5           HB       ILE   5  -4.668  -0.413  -0.413
   46   1HG1  ILE   5          1HG1      ILE   5  -5.490  -2.865  -2.865
   47   2HG1  ILE   5          2HG1      ILE   5  -3.782  -2.482  -2.482
   48   1HG2  ILE   5          2HG2      ILE   5  -4.143   0.378   0.378
   49   2HG2  ILE   5          3HG2      ILE   5  -4.318  -1.258  -1.258
   50   3HG2  ILE   5          1HG2      ILE   5  -3.009  -0.893  -0.893
   51   1HD1  ILE   5          2HD1      ILE   5  -5.329  -3.775  -3.775
   52   2HD1  ILE   5          3HD1      ILE   5  -4.288  -4.603  -4.603
   53   3HD1  ILE   5          1HD1      ILE   5  -3.554  -3.468  -3.468
   54    H    ALA   6           H        ALA   6  -7.628   0.239   0.239
   55    HA   ALA   6           HA       ALA   6  -7.453   3.149   3.149
   56   1HB   ALA   6          2HB       ALA   6  -9.748   2.397   2.397
   57   2HB   ALA   6          3HB       ALA   6  -9.407   1.949   1.949
   58   3HB   ALA   6          1HB       ALA   6  -9.314   3.656   3.656
   59    H    LYS   7           H        LYS   7  -5.233   2.737   2.737
   60    HA   LYS   7           HA       LYS   7  -4.339   4.045   4.045
   61   1HB   LYS   7          1HB       LYS   7  -4.799   1.761   1.761
   62   2HB   LYS   7          2HB       LYS   7  -3.867   0.999   0.999
   63   1HG   LYS   7          1HG       LYS   7  -1.769   2.090   2.090
   64   2HG   LYS   7          2HG       LYS   7  -2.708   2.860   2.860
   65   1HD   LYS   7          1HD       LYS   7  -3.331   0.636   0.636
   66   2HD   LYS   7          2HD       LYS   7  -2.593  -0.199  -0.199
   67   1HE   LYS   7          1HE       LYS   7  -0.313   0.734   0.734
   68   2HE   LYS   7          2HE       LYS   7  -1.049   1.534   1.534
   69   1HZ   LYS   7          1HZ       LYS   7  -1.706  -0.616  -0.616
   70   2HZ   LYS   7          2HZ       LYS   7  -0.091  -0.574  -0.574
   71    H    ASP   8           H        ASP   8  -2.632   5.261   5.261
   72    HA   ASP   8           HA       ASP   8  -1.011   4.612   4.612
   73   1HB   ASP   8          1HB       ASP   8  -0.725   6.579   6.579
   74   2HB   ASP   8          2HB       ASP   8   0.256   6.510   6.510
   75    HD2  ASP   8           HD2      ASP   8  -3.267   8.350   8.350
   76    H    TYR   9           H        TYR   9   0.613   3.135   3.135
   77    HA   TYR   9           HA       TYR   9   2.382   2.017   2.017
   78   1HB   TYR   9          2HB       TYR   9   2.346   2.605   2.605
   79   2HB   TYR   9          1HB       TYR   9   3.617   1.809   1.809
   80    HD1  TYR   9           HD2      TYR   9   5.278   3.084   3.084
   81    HD2  TYR   9           HD1      TYR   9   2.268   5.107   5.107
   82    HE1  TYR   9           HE2      TYR   9   6.584   5.157   5.157
   83    HE2  TYR   9           HE1      TYR   9   3.534   7.164   7.164
   84    HH   TYR   9           HH       TYR   9   5.453   8.124   8.124
   85    H    GLY  10           H        GLY  10  -0.199   1.108   1.108
   86   1HA   GLY  10          1HA       GLY  10  -0.817  -0.668  -0.668
   87   2HA   GLY  10          2HA       GLY  10  -1.933  -0.294  -0.294
   88    H    ARG  11           H        ARG  11  -0.191  -2.538  -2.538
   89    HA   ARG  11           HA       ARG  11   1.098  -4.075  -4.075
   90   1HB   ARG  11          1HB       ARG  11  -0.971  -5.303  -5.303
   91   2HB   ARG  11          2HB       ARG  11   0.486  -6.109  -6.109
   92   1HG   ARG  11          1HG       ARG  11   0.376  -3.577  -3.577
   93   2HG   ARG  11          2HG       ARG  11   0.675  -5.219  -5.219
   94   1HD   ARG  11          1HD       ARG  11   2.832  -5.292  -5.292
   95   2HD   ARG  11          2HD       ARG  11   2.539  -3.623  -3.623
   96   1HH1  ARG  11          2HH2      ARG  11   4.845  -3.610  -3.610
   97   2HH1  ARG  11          1HH2      ARG  11   6.010  -2.926  -2.926
   98   1HH2  ARG  11          1HH1      ARG  11   3.704  -3.080  -3.080
   99   2HH2  ARG  11          2HH1      ARG  11   5.402  -2.646  -2.646
  100    H    CYS  12           H        CYS  12   0.398  -3.837  -3.837
  101    HA   CYS  12           HA       CYS  12  -1.822  -5.052  -5.052
  102   1HB   CYS  12          2HB       CYS  12  -1.162  -3.890  -3.890
  103   2HB   CYS  12          1HB       CYS  12  -1.049  -2.861  -2.861
  104    H    LYS  13           H        LYS  13  -1.489  -6.005  -6.005
  105    HA   LYS  13           HA       LYS  13   0.688  -8.073  -8.073
  106   1HB   LYS  13          1HB       LYS  13  -1.080  -9.058  -9.058
  107   2HB   LYS  13          2HB       LYS  13  -2.237  -9.065  -9.065
  108   1HG   LYS  13          1HG       LYS  13   0.482 -10.478 -10.478
  109   2HG   LYS  13          2HG       LYS  13  -0.713 -11.184 -11.184
  110   1HD   LYS  13          1HD       LYS  13  -2.384 -11.390 -11.390
  111   2HD   LYS  13          2HD       LYS  13  -1.335 -10.551 -10.551
  112   1HE   LYS  13          1HE       LYS  13   0.397 -12.400 -12.400
  113   2HE   LYS  13          2HE       LYS  13  -0.644 -13.248 -13.248
  114   1HZ   LYS  13          1HZ       LYS  13  -1.391 -12.597 -12.597
  115   2HZ   LYS  13          2HZ       LYS  13  -2.336 -13.400 -13.400
  116    H    TRP  14           H        TRP  14   1.144  -8.380  -8.380
  117    HA   TRP  14           HA       TRP  14  -0.455  -7.193  -7.193
  118   1HB   TRP  14          1HB       TRP  14   2.313  -8.522  -8.522
  119   2HB   TRP  14          2HB       TRP  14   1.475  -8.314  -8.314
  120    HD1  TRP  14           HD1      TRP  14   0.541  -5.037  -5.037
  121    HE1  TRP  14           HE1      TRP  14   2.125  -3.141  -3.141
  122    HE3  TRP  14           HE3      TRP  14   4.432  -8.074  -8.074
  123    HZ2  TRP  14           HZ2      TRP  14   4.784  -3.103  -3.103
  124    HZ3  TRP  14           HZ3      TRP  14   6.514  -7.019  -7.019
  125    HH2  TRP  14           HH2      TRP  14   6.689  -4.574  -4.574
  126    H    GLY  15           H        GLY  15  -2.081  -8.295  -8.295
  127   1HA   GLY  15          1HA       GLY  15  -3.269 -10.268 -10.268
  128   2HA   GLY  15          2HA       GLY  15  -2.150 -11.358 -11.358
  129    H    GLY  16           H        GLY  16  -3.646  -8.591  -8.591
  130   1HA   GLY  16          1HA       GLY  16  -5.643 -10.312 -10.312
  131   2HA   GLY  16          2HA       GLY  16  -4.406  -9.317  -9.317
  132    H    THR  17           H        THR  17  -5.855  -8.190  -8.190
  133    HA   THR  17           HA       THR  17  -7.922  -6.412  -6.412
  134    HB   THR  17           HB       THR  17  -6.420  -5.061  -5.061
  135    HG1  THR  17           HG1      THR  17  -6.249  -7.303  -7.303
  136   1HG2  THR  17          2HG2      THR  17  -8.453  -4.240  -4.240
  137   2HG2  THR  17          3HG2      THR  17  -9.382  -5.664  -5.664
  138   3HG2  THR  17          1HG2      THR  17  -8.581  -4.661  -4.661
  139    HA   PRO  18           HA       PRO  18  -4.977  -3.332  -3.332
  140   1HB   PRO  18          1HB       PRO  18  -6.739  -1.315  -1.315
  141   2HB   PRO  18          2HB       PRO  18  -6.929  -2.894  -2.894
  142   1HG   PRO  18          2HG       PRO  18  -8.226  -1.960  -1.960
  143   2HG   PRO  18          1HG       PRO  18  -9.164  -2.389  -2.389
  144   1HD   PRO  18          1HD       PRO  18  -8.777  -4.315  -4.315
  145   2HD   PRO  18          2HD       PRO  18  -8.398  -4.754  -4.754
  146    H    CYS  19           H        CYS  19  -4.968  -0.704  -0.704
  147    HA   CYS  19           HA       CYS  19  -4.950  -0.314  -0.314
  148   1HB   CYS  19          1HB       CYS  19  -3.418   1.450   1.450
  149   2HB   CYS  19          2HB       CYS  19  -3.416   1.554   1.554
  150    H    CYS  20           H        CYS  20  -5.903   1.639   1.639
  151    HA   CYS  20           HA       CYS  20  -8.235   2.433   2.433
  152   1HB   CYS  20          1HB       CYS  20  -8.343   1.638   1.638
  153   2HB   CYS  20          2HB       CYS  20  -8.448   3.357   3.357
  154    H    ARG  21           H        ARG  21  -6.092   4.039   4.039
  155    HA   ARG  21           HA       ARG  21  -6.143   6.696   6.696
  156   1HB   ARG  21          1HB       ARG  21  -6.548   7.894   7.894
  157   2HB   ARG  21          2HB       ARG  21  -7.922   7.032   7.032
  158   1HG   ARG  21          1HG       ARG  21  -7.806   5.298   5.298
  159   2HG   ARG  21          2HG       ARG  21  -6.232   5.845   5.845
  160   1HD   ARG  21          1HD       ARG  21  -7.289   8.101   8.101
  161   2HD   ARG  21          2HD       ARG  21  -8.849   7.474   7.474
  162   1HH1  ARG  21          2HH2      ARG  21  -5.675   7.369   7.369
  163   2HH1  ARG  21          1HH2      ARG  21  -5.352   6.879   6.879
  164   1HH2  ARG  21          1HH1      ARG  21  -8.533   5.653   5.653
  165   2HH2  ARG  21          2HH1      ARG  21  -6.862   5.973   5.973
  166    H    GLY  22           H        GLY  22  -4.120   6.107   6.107
  167   1HA   GLY  22          1HA       GLY  22  -1.689   6.926   6.926
  168   2HA   GLY  22          2HA       GLY  22  -1.823   6.270   6.270
  169    H    ARG  23           H        ARG  23  -0.665   5.547   5.547
  170    HA   ARG  23           HA       ARG  23  -0.931   2.533   2.533
  171   1HB   ARG  23          1HB       ARG  23  -1.803   2.207   2.207
  172   2HB   ARG  23          2HB       ARG  23  -2.777   3.402   3.402
  173   1HG   ARG  23          1HG       ARG  23  -1.244   5.179   5.179
  174   2HG   ARG  23          2HG       ARG  23  -0.824   3.806   3.806
  175   1HD   ARG  23          1HD       ARG  23  -3.224   3.461   3.461
  176   2HD   ARG  23          2HD       ARG  23  -3.741   4.672   4.672
  177   1HH1  ARG  23          2HH2      ARG  23  -5.260   5.110   5.110
  178   2HH1  ARG  23          1HH2      ARG  23  -5.712   6.424   6.424
  179   1HH2  ARG  23          1HH1      ARG  23  -2.437   7.267   7.267
  180   2HH2  ARG  23          2HH1      ARG  23  -4.219   7.562   7.562
  181    H    GLY  24           H        GLY  24   0.035   1.354   1.354
  182   1HA   GLY  24          1HA       GLY  24   2.088   0.797   0.797
  183   2HA   GLY  24          2HA       GLY  24   3.036   1.945   1.945
  184    H    CYS  25           H        CYS  25   2.386  -0.912  -0.912
  185    HA   CYS  25           HA       CYS  25   2.572  -1.754  -1.754
  186   1HB   CYS  25          1HB       CYS  25   0.376  -2.456  -2.456
  187   2HB   CYS  25          2HB       CYS  25   1.113  -3.297  -3.297
  188    H    ILE  26           H        ILE  26   4.933  -1.441  -1.441
  189    HA   ILE  26           HA       ILE  26   6.380  -3.834  -3.834
  190    HB   ILE  26           HB       ILE  26   7.619  -1.555  -1.555
  191   1HG1  ILE  26          1HG1      ILE  26   6.849  -0.488  -0.488
  192   2HG1  ILE  26          2HG1      ILE  26   8.579  -0.676  -0.676
  193   1HG2  ILE  26          3HG2      ILE  26   8.930  -3.925  -3.925
  194   2HG2  ILE  26          1HG2      ILE  26   9.842  -2.413  -2.413
  195   3HG2  ILE  26          2HG2      ILE  26   9.068  -3.335  -3.335
  196   1HD1  ILE  26          1HD1      ILE  26   8.203  -2.676  -2.676
  197   2HD1  ILE  26          2HD1      ILE  26   6.445  -2.395  -2.395
  198   3HD1  ILE  26          3HD1      ILE  26   7.486  -1.157  -1.157
  199    H    CYS  27           H        CYS  27   7.501  -5.182  -5.182
  200    HA   CYS  27           HA       CYS  27   6.504  -5.554  -5.554
  201   1HB   CYS  27          1HB       CYS  27   7.715  -8.181  -8.181
  202   2HB   CYS  27          2HB       CYS  27   6.839  -7.675  -7.675
  203    H    SER  28           H        SER  28   8.284  -6.513  -6.513
  204    HA   SER  28           HA       SER  28  10.044  -7.052  -7.052
  205   1HB   SER  28          1HB       SER  28   9.858  -8.996  -8.996
  206   2HB   SER  28          2HB       SER  28   9.892  -8.398  -8.398
  207    HG   SER  28           HG       SER  28  11.626  -9.695  -9.695
  208    H    ILE  29           H        ILE  29  12.344  -7.549  -7.549
  209    HA   ILE  29           HA       ILE  29  14.456  -7.001  -7.001
  210    HB   ILE  29           HB       ILE  29  13.880  -4.026  -4.026
  211   1HG1  ILE  29          1HG1      ILE  29  15.968  -4.762  -4.762
  212   2HG1  ILE  29          2HG1      ILE  29  14.995  -6.227  -6.227
  213   1HG2  ILE  29          3HG2      ILE  29  15.535  -4.382  -4.382
  214   2HG2  ILE  29          1HG2      ILE  29  16.497  -5.459  -5.459
  215   3HG2  ILE  29          2HG2      ILE  29  16.329  -3.731  -3.731
  216   1HD1  ILE  29          1HD1      ILE  29  13.917  -3.403  -3.403
  217   2HD1  ILE  29          2HD1      ILE  29  14.424  -4.627  -4.627
  218   3HD1  ILE  29          3HD1      ILE  29  13.012  -4.929  -4.929
  219    H    MET  30           H        MET  30  12.859  -8.021  -8.021
  220    HA   MET  30           HA       MET  30  12.671  -8.097  -8.097
  221   1HB   MET  30          1HB       MET  30  10.930  -5.672  -5.672
  222   2HB   MET  30          2HB       MET  30  10.152  -6.913  -6.913
  223   1HG   MET  30          1HG       MET  30  11.006  -5.331  -5.331
  224   2HG   MET  30          2HG       MET  30  11.812  -6.883  -6.883
  225   1HE   MET  30          1HE       MET  30  12.962  -4.181  -4.181
  226   2HE   MET  30          3HE       MET  30  13.790  -5.762  -5.762
  227   3HE   MET  30          2HE       MET  30  14.703  -4.325  -4.325
  228    H    GLY  31           H        GLY  31  10.366  -7.556  -7.556
  229   1HA   GLY  31          1HA       GLY  31   8.699  -8.652  -8.652
  230   2HA   GLY  31          2HA       GLY  31   9.405 -10.100 -10.100
  231    H    THR  32           H        THR  32   7.925  -7.644  -7.644
  232    HA   THR  32           HA       THR  32   5.671  -9.430  -9.430
  233    HB   THR  32           HB       THR  32   4.438  -8.126  -8.126
  234    HG1  THR  32           HG1      THR  32   5.111  -6.126  -6.126
  235   1HG2  THR  32          2HG2      THR  32   6.087  -9.496  -9.496
  236   2HG2  THR  32          3HG2      THR  32   7.189  -8.101  -8.101
  237   3HG2  THR  32          1HG2      THR  32   5.623  -8.018  -8.018
  238    H    ASN  33           H        ASN  33   4.726  -9.188  -9.188
  239    HA   ASN  33           HA       ASN  33   6.115  -7.918  -7.918
  240   1HB   ASN  33          2HB       ASN  33   5.937  -9.513  -9.513
  241   2HB   ASN  33          1HB       ASN  33   6.770  -9.907  -9.907
  242   1HD2  ASN  33          1HD2      ASN  33   3.532 -12.231 -12.231
  243   2HD2  ASN  33          2HD2      ASN  33   4.077 -10.742 -10.742
  244    H    CYS  34           H        CYS  34   4.833  -6.554  -6.554
  245    HA   CYS  34           HA       CYS  34   5.186  -4.669  -4.669
  246   1HB   CYS  34          1HB       CYS  34   2.920  -5.880  -5.880
  247   2HB   CYS  34          2HB       CYS  34   3.320  -4.280  -4.280
  248    H    GLU  35           H        GLU  35   3.830  -2.940  -2.940
  249    HA   GLU  35           HA       GLU  35   2.019  -1.940  -1.940
  250   1HB   GLU  35          1HB       GLU  35   4.810  -0.650  -0.650
  251   2HB   GLU  35          2HB       GLU  35   3.548   0.156   0.156
  252   1HG   GLU  35          1HG       GLU  35   3.587  -1.681  -1.681
  253   2HG   GLU  35          2HG       GLU  35   4.925  -2.445  -2.445
  254    HE1  GLU  35           HE2      GLU  35   7.280   0.051   0.051
  255    H    CYS  36           H        CYS  36   0.848  -0.049  -0.049
  256    HA   CYS  36           HA       CYS  36   0.762   0.330   0.330
  257   1HB   CYS  36          1HB       CYS  36  -1.273   0.857   0.857
  258   2HB   CYS  36          2HB       CYS  36  -1.409   1.627   1.627
  259    H    LYS  37           H        LYS  37   2.686   1.609   1.609
  260    HA   LYS  37           HA       LYS  37   3.564   3.468   3.468
  261   1HB   LYS  37          1HB       LYS  37   4.083   3.214   3.214
  262   2HB   LYS  37          2HB       LYS  37   4.659   4.667   4.667
  263   1HG   LYS  37          1HG       LYS  37   6.487   3.185   3.185
  264   2HG   LYS  37          2HG       LYS  37   5.936   3.380   3.380
  265   1HD   LYS  37          1HD       LYS  37   4.753   1.121   1.121
  266   2HD   LYS  37          2HD       LYS  37   5.285   0.963   0.963
  267   1HE   LYS  37          1HE       LYS  37   6.753  -0.393  -0.393
  268   2HE   LYS  37          2HE       LYS  37   7.713   0.979   0.979
  269   1HZ   LYS  37          1HZ       LYS  37   8.100   0.532   0.532
  270   2HZ   LYS  37          2HZ       LYS  37   7.396   2.001   2.001
  271    HA   PRO  38           HA       PRO  38   1.051   6.676   6.676
  272   1HB   PRO  38          1HB       PRO  38   2.574   8.967   8.967
  273   2HB   PRO  38          2HB       PRO  38   2.425   7.497   7.497
  274   1HG   PRO  38          1HG       PRO  38   4.607   8.134   8.134
  275   2HG   PRO  38          2HG       PRO  38   4.832   7.622   7.622
  276   1HD   PRO  38          1HD       PRO  38   4.948   5.781   5.781
  277   2HD   PRO  38          2HD       PRO  38   4.079   5.338   5.338
  278    H    ARG  39           H        ARG  39   3.302   8.832   8.832
  279    HA   ARG  39           HA       ARG  39   2.871  10.504  10.504
  280   1HB   ARG  39          1HB       ARG  39   2.823   9.739   9.739
  281   2HB   ARG  39          2HB       ARG  39   3.735   8.616   8.616
  282   1HG   ARG  39          1HG       ARG  39   1.613   7.056   7.056
  283   2HG   ARG  39          2HG       ARG  39   0.948   8.188   8.188
  284   1HD   ARG  39          1HD       ARG  39   3.310   7.804   7.804
  285   2HD   ARG  39          2HD       ARG  39   3.427   6.396   6.396
  286   1HH1  ARG  39          2HH2      ARG  39   2.100   8.615   8.615
  287   2HH1  ARG  39          1HH2      ARG  39   1.150   8.203   8.203
  288   1HH2  ARG  39          1HH1      ARG  39   0.542   4.967   4.967
  289   2HH2  ARG  39          2HH1      ARG  39   0.334   6.287   6.287
  290    H    LEU  40           H        LEU  40   1.705  12.067  12.067
  291    HA   LEU  40           HA       LEU  40  -1.276  11.933  11.933
  292   1HB   LEU  40          1HB       LEU  40  -0.720  12.988  12.988
  293   2HB   LEU  40          2HB       LEU  40   0.072  14.320  14.320
  294    HG   LEU  40           HG       LEU  40  -2.753  13.565  13.565
  295   1HD1  LEU  40          3HD2      LEU  40  -2.994  13.440  13.440
  296   2HD1  LEU  40          1HD2      LEU  40  -2.307  15.074  15.074
  297   3HD1  LEU  40          2HD2      LEU  40  -3.869  14.837  14.837
  298   1HD2  LEU  40          3HD1      LEU  40  -1.615  15.491  15.491
  299   2HD2  LEU  40          1HD1      LEU  40  -3.060  16.026  16.026
  300   3HD2  LEU  40          2HD1      LEU  40  -1.444  16.328  16.328
  301    H    ILE  41           H        ILE  41  -1.522  12.120  12.120
  302    HA   ILE  41           HA       ILE  41  -0.715  14.366  14.366
  303    HB   ILE  41           HB       ILE  41   0.942  12.733  12.733
  304   1HG1  ILE  41          1HG1      ILE  41   0.421  12.692  12.692
  305   2HG1  ILE  41          2HG1      ILE  41  -1.206  13.258  13.258
  306   1HG2  ILE  41          3HG2      ILE  41  -0.161  10.553  10.553
  307   2HG2  ILE  41          1HG2      ILE  41  -1.317  10.822  10.822
  308   3HG2  ILE  41          2HG2      ILE  41   0.417  10.647  10.647
  309   1HD1  ILE  41          2HD1      ILE  41   1.392  14.802  14.802
  310   2HD1  ILE  41          3HD1      ILE  41   0.364  15.095  15.095
  311   3HD1  ILE  41          1HD1      ILE  41  -0.268  15.426  15.426
  312    H    MET  42           H        MET  42  -2.642  14.437  14.437
  313    HA   MET  42           HA       MET  42  -4.878  14.794  14.794
  314   1HB   MET  42          1HB       MET  42  -6.508  15.099  15.099
  315   2HB   MET  42          2HB       MET  42  -5.041  15.661  15.661
  316   1HG   MET  42          1HG       MET  42  -4.998  13.649  13.649
  317   2HG   MET  42          2HG       MET  42  -6.371  12.936  12.936
  318   1HE   MET  42          2HE       MET  42  -6.563  13.180  13.180
  319   2HE   MET  42          1HE       MET  42  -7.992  12.723  12.723
  320   3HE   MET  42          3HE       MET  42  -8.133  13.995  13.995
  321    H    GLU  43           H        GLU  43  -3.563  11.836  11.836
  322    HA   GLU  43           HA       GLU  43  -5.849  10.189  10.189
  323   1HB   GLU  43          1HB       GLU  43  -2.815  10.239  10.239
  324   2HB   GLU  43          2HB       GLU  43  -3.810   8.917   8.917
  325   1HG   GLU  43          1HG       GLU  43  -4.431   8.853   8.853
  326   2HG   GLU  43          2HG       GLU  43  -3.083   9.947   9.947
  327    HE2  GLU  43           HE2      GLU  43  -0.777   7.425   7.425
  328    H    GLY  44           H        GLY  44  -5.290  12.341  12.341
  329   1HA   GLY  44          1HA       GLY  44  -6.238  11.018  11.018
  330   2HA   GLY  44          2HA       GLY  44  -5.519  12.614  12.614
  331    H    LEU  45           H        LEU  45  -6.826  13.954  13.954
  332    HA   LEU  45           HA       LEU  45  -9.785  13.710  13.710
  333   1HB   LEU  45          1HB       LEU  45 -10.279  15.886  15.886
  334   2HB   LEU  45          2HB       LEU  45  -9.244  15.149  15.149
  335    HG   LEU  45           HG       LEU  45  -8.412  17.358  17.358
  336   1HD1  LEU  45          3HD1      LEU  45 -10.017  18.140  18.140
  337   2HD1  LEU  45          1HD1      LEU  45  -8.963  17.515  17.515
  338   3HD1  LEU  45          2HD1      LEU  45  -8.413  18.852  18.852
  339   1HD2  LEU  45          2HD2      LEU  45  -6.740  16.118  16.118
  340   2HD2  LEU  45          3HD2      LEU  45  -6.359  16.081  16.081
  341   3HD2  LEU  45          1HD2      LEU  45  -6.325  17.617  17.617
  342    H    GLY  46           H        GLY  46  -9.846  13.061  13.061
  343   1HA   GLY  46          1HA       GLY  46 -10.232  15.004  15.004
  344   2HA   GLY  46          2HA       GLY  46  -8.604  14.347  14.347
  345    H    LEU  47           H        LEU  47  -8.369  12.078  12.078
  346    HA   LEU  47           HA       LEU  47 -10.666  10.751  10.751
  347   1HB   LEU  47          1HB       LEU  47  -9.197   9.104   9.104
  348   2HB   LEU  47          2HB       LEU  47  -8.587  10.699  10.699
  349    HG   LEU  47           HG       LEU  47  -7.043  10.203  10.203
  350   1HD1  LEU  47          1HD1      LEU  47  -7.664   7.340   7.340
  351   2HD1  LEU  47          2HD1      LEU  47  -6.336   7.761   7.761
  352   3HD1  LEU  47          3HD1      LEU  47  -8.007   7.962   7.962
  353   1HD2  LEU  47          3HD2      LEU  47  -6.173  10.675  10.675
  354   2HD2  LEU  47          1HD2      LEU  47  -5.254   9.361   9.361
  355   3HD2  LEU  47          2HD2      LEU  47  -6.470   8.990   8.990
  356    H    ALA  48           H        ALA  48  -9.006  10.321  10.321
  357    HA   ALA  48           HA       ALA  48 -11.350   8.664   8.664
  358   1HB   ALA  48          3HB       ALA  48  -8.492   7.510   7.510
  359   2HB   ALA  48          1HB       ALA  48  -9.963   6.849   6.849
  360   3HB   ALA  48          2HB       ALA  48  -9.797   6.846   6.846
  361    HXT  ALA  48           HO        OH  49  -8.706  10.148  10.148

  Start of MODEL   10
    1   1H    LYS   1          2H        LYS   1  -7.366  -7.407  -7.407
    2   2H    LYS   1          3H        LYS   1  -8.230  -8.162  -8.162
    3   3H    LYS   1          1H        LYS   1  -6.613  -8.458  -8.458
    4    HA   LYS   1           HA       LYS   1  -6.914  -9.490  -9.490
    5   1HB   LYS   1          1HB       LYS   1  -8.657 -10.672 -10.672
    6   2HB   LYS   1          2HB       LYS   1  -8.278 -11.535 -11.535
    7   1HG   LYS   1          1HG       LYS   1  -5.806 -11.330 -11.330
    8   2HG   LYS   1          2HG       LYS   1  -6.160 -10.564 -10.564
    9   1HD   LYS   1          1HD       LYS   1  -7.065 -13.404 -13.404
   10   2HD   LYS   1          2HD       LYS   1  -5.620 -13.033 -13.033
   11   1HE   LYS   1          1HE       LYS   1  -7.044 -12.024 -12.024
   12   2HE   LYS   1          2HE       LYS   1  -8.507 -12.424 -12.424
   13   1HZ   LYS   1          1HZ       LYS   1  -7.974 -14.089 -14.089
   14   2HZ   LYS   1          2HZ       LYS   1  -6.501 -14.368 -14.368
   15    H    LYS   2           H        LYS   2  -8.215 -10.139 -10.139
   16    HA   LYS   2           HA       LYS   2  -9.966 -10.365 -10.365
   17   1HB   LYS   2          1HB       LYS   2 -11.352 -11.073 -11.073
   18   2HB   LYS   2          2HB       LYS   2 -11.990  -9.440  -9.440
   19   1HG   LYS   2          1HG       LYS   2 -12.926  -9.620  -9.620
   20   2HG   LYS   2          2HG       LYS   2 -12.257 -11.248 -11.248
   21   1HD   LYS   2          1HD       LYS   2 -13.699 -11.991 -11.991
   22   2HD   LYS   2          2HD       LYS   2 -14.334 -10.358 -10.358
   23   1HE   LYS   2          1HE       LYS   2 -16.006 -11.639 -11.639
   24   2HE   LYS   2          2HE       LYS   2 -15.313 -10.549 -10.549
   25   1HZ   LYS   2          1HZ       LYS   2 -13.966 -12.392 -12.392
   26   2HZ   LYS   2          2HZ       LYS   2 -15.559 -12.748 -12.748
   27    H    LYS   3           H        LYS   3 -10.906  -7.265  -7.265
   28    HA   LYS   3           HA       LYS   3 -10.795  -5.950  -5.950
   29   1HB   LYS   3          1HB       LYS   3 -13.156  -6.579  -6.579
   30   2HB   LYS   3          2HB       LYS   3 -13.071  -5.640  -5.640
   31   1HG   LYS   3          1HG       LYS   3 -14.273  -4.361  -4.361
   32   2HG   LYS   3          2HG       LYS   3 -12.757  -3.526  -3.526
   33   1HD   LYS   3          1HD       LYS   3 -11.807  -4.494  -4.494
   34   2HD   LYS   3          2HD       LYS   3 -13.321  -5.363  -5.363
   35   1HE   LYS   3          1HE       LYS   3 -14.563  -3.139  -3.139
   36   2HE   LYS   3          2HE       LYS   3 -13.042  -2.280  -2.280
   37   1HZ   LYS   3          1HZ       LYS   3 -13.586  -4.075  -4.075
   38   2HZ   LYS   3          2HZ       LYS   3 -12.172  -3.301  -3.301
   39    H    CYS   4           H        CYS   4  -8.806  -5.328  -5.328
   40    HA   CYS   4           HA       CYS   4  -7.049  -3.782  -3.782
   41   1HB   CYS   4          1HB       CYS   4  -7.562  -1.704  -1.704
   42   2HB   CYS   4          2HB       CYS   4  -8.419  -2.787  -2.787
   43    H    ILE   5           H        ILE   5  -6.865  -1.607  -1.607
   44    HA   ILE   5           HA       ILE   5  -6.939  -2.285  -2.285
   45    HB   ILE   5           HB       ILE   5  -5.016  -0.614  -0.614
   46   1HG1  ILE   5          1HG1      ILE   5  -5.098  -3.127  -3.127
   47   2HG1  ILE   5          2HG1      ILE   5  -3.555  -2.350  -2.350
   48   1HG2  ILE   5          3HG2      ILE   5  -4.712  -1.509  -1.509
   49   2HG2  ILE   5          1HG2      ILE   5  -3.398  -0.854  -0.854
   50   3HG2  ILE   5          2HG2      ILE   5  -4.824   0.140   0.140
   51   1HD1  ILE   5          3HD1      ILE   5  -4.956  -4.143  -4.143
   52   2HD1  ILE   5          1HD1      ILE   5  -3.771  -4.685  -4.685
   53   3HD1  ILE   5          2HD1      ILE   5  -3.254  -3.534  -3.534
   54    H    ALA   6           H        ALA   6  -6.709   0.737   0.737
   55    HA   ALA   6           HA       ALA   6  -7.355   2.915   2.915
   56   1HB   ALA   6          2HB       ALA   6  -9.684   2.150   2.150
   57   2HB   ALA   6          3HB       ALA   6  -9.603   1.945   1.945
   58   3HB   ALA   6          1HB       ALA   6  -9.439   3.560   3.560
   59    H    LYS   7           H        LYS   7  -5.098   2.665   2.665
   60    HA   LYS   7           HA       LYS   7  -5.012   4.724   4.724
   61   1HB   LYS   7          1HB       LYS   7  -3.599   3.502   3.502
   62   2HB   LYS   7          2HB       LYS   7  -5.344   3.414   3.414
   63   1HG   LYS   7          1HG       LYS   7  -5.383   1.109   1.109
   64   2HG   LYS   7          2HG       LYS   7  -3.651   1.141   1.141
   65   1HD   LYS   7          1HD       LYS   7  -3.089   1.350   1.350
   66   2HD   LYS   7          2HD       LYS   7  -4.781   1.591   1.591
   67   1HE   LYS   7          1HE       LYS   7  -4.285  -0.661  -0.661
   68   2HE   LYS   7          2HE       LYS   7  -5.324  -0.772  -0.772
   69   1HZ   LYS   7          1HZ       LYS   7  -3.360  -1.192  -1.192
   70   2HZ   LYS   7          2HZ       LYS   7  -3.496  -2.293  -2.293
   71    H    ASP   8           H        ASP   8  -3.167   5.859   5.859
   72    HA   ASP   8           HA       ASP   8  -1.009   5.023   5.023
   73   1HB   ASP   8          1HB       ASP   8  -1.474   7.292   7.292
   74   2HB   ASP   8          2HB       ASP   8  -0.105   7.139   7.139
   75    HD2  ASP   8           HD2      ASP   8  -1.705   9.560   9.560
   76    H    TYR   9           H        TYR   9   0.826   3.953   3.953
   77    HA   TYR   9           HA       TYR   9   2.470   2.939   2.939
   78   1HB   TYR   9          2HB       TYR   9   1.732   3.819   3.819
   79   2HB   TYR   9          1HB       TYR   9   3.230   3.112   3.112
   80    HD1  TYR   9           HD1      TYR   9   1.303   6.261   6.261
   81    HD2  TYR   9           HD2      TYR   9   4.999   4.525   4.525
   82    HE1  TYR   9           HE1      TYR   9   2.297   8.475   8.475
   83    HE2  TYR   9           HE2      TYR   9   6.004   6.761   6.761
   84    HH   TYR   9           HH       TYR   9   4.154   9.657   9.657
   85    H    GLY  10           H        GLY  10   0.114   1.798   1.798
   86   1HA   GLY  10          1HA       GLY  10  -1.079   0.258   0.258
   87   2HA   GLY  10          2HA       GLY  10  -1.859   0.475   0.475
   88    H    ARG  11           H        ARG  11  -0.950  -1.898  -1.898
   89    HA   ARG  11           HA       ARG  11   1.375  -3.207  -3.207
   90   1HB   ARG  11          1HB       ARG  11  -0.494  -3.795  -3.795
   91   2HB   ARG  11          2HB       ARG  11   0.431  -5.117  -5.117
   92   1HG   ARG  11          1HG       ARG  11   1.608  -4.185  -4.185
   93   2HG   ARG  11          2HG       ARG  11   2.559  -4.087  -4.087
   94   1HD   ARG  11          1HD       ARG  11   1.983  -1.601  -1.601
   95   2HD   ARG  11          2HD       ARG  11   1.056  -1.715  -1.715
   96   1HH1  ARG  11          2HH2      ARG  11   2.878   0.273   0.273
   97   2HH1  ARG  11          1HH2      ARG  11   4.395   0.965   0.965
   98   1HH2  ARG  11          1HH1      ARG  11   5.142  -1.961  -1.961
   99   2HH2  ARG  11          2HH1      ARG  11   5.595  -0.222  -0.222
  100    H    CYS  12           H        CYS  12   0.219  -2.944  -2.944
  101    HA   CYS  12           HA       CYS  12  -1.619  -4.549  -4.549
  102   1HB   CYS  12          2HB       CYS  12  -0.657  -3.723  -3.723
  103   2HB   CYS  12          1HB       CYS  12  -0.962  -2.530  -2.530
  104    H    LYS  13           H        LYS  13  -1.247  -5.960  -5.960
  105    HA   LYS  13           HA       LYS  13   1.148  -7.815  -7.815
  106   1HB   LYS  13          1HB       LYS  13  -0.149  -9.790  -9.790
  107   2HB   LYS  13          2HB       LYS  13  -0.836  -8.999  -8.999
  108   1HG   LYS  13          1HG       LYS  13  -2.801  -8.220  -8.220
  109   2HG   LYS  13          2HG       LYS  13  -2.033  -8.705  -8.705
  110   1HD   LYS  13          1HD       LYS  13  -3.491 -10.459 -10.459
  111   2HD   LYS  13          2HD       LYS  13  -1.947 -11.125 -11.125
  112   1HE   LYS  13          1HE       LYS  13  -2.590 -10.693 -10.693
  113   2HE   LYS  13          2HE       LYS  13  -4.121  -9.980  -9.980
  114   1HZ   LYS  13          1HZ       LYS  13  -4.690 -12.111 -12.111
  115   2HZ   LYS  13          2HZ       LYS  13  -3.276 -12.774 -12.774
  116    H    TRP  14           H        TRP  14   1.547  -9.115  -9.115
  117    HA   TRP  14           HA       TRP  14   1.208  -7.815  -7.815
  118   1HB   TRP  14          1HB       TRP  14   3.700  -9.293  -9.293
  119   2HB   TRP  14          2HB       TRP  14   3.363  -8.873  -8.873
  120    HD1  TRP  14           HD1      TRP  14   2.386  -5.494  -5.494
  121    HE1  TRP  14           HE1      TRP  14   4.408  -3.911  -3.911
  122    HE3  TRP  14           HE3      TRP  14   6.099  -9.066  -9.066
  123    HZ2  TRP  14           HZ2      TRP  14   7.234  -4.218  -4.218
  124    HZ3  TRP  14           HZ3      TRP  14   8.448  -8.306  -8.306
  125    HH2  TRP  14           HH2      TRP  14   9.006  -5.918  -5.918
  126    H    GLY  15           H        GLY  15  -0.598  -8.918  -8.918
  127   1HA   GLY  15          1HA       GLY  15  -0.837 -11.781 -11.781
  128   2HA   GLY  15          2HA       GLY  15  -1.286 -11.536 -11.536
  129    H    GLY  16           H        GLY  16  -2.619  -9.860  -9.860
  130   1HA   GLY  16          1HA       GLY  16  -3.797  -8.082  -8.082
  131   2HA   GLY  16          2HA       GLY  16  -4.857  -9.194  -9.194
  132    H    THR  17           H        THR  17  -4.946  -7.078  -7.078
  133    HA   THR  17           HA       THR  17  -7.585  -7.023  -7.023
  134    HB   THR  17           HB       THR  17  -5.293  -6.561  -6.561
  135    HG1  THR  17           HG1      THR  17  -7.003  -8.826  -8.826
  136   1HG2  THR  17          3HG2      THR  17  -8.128  -6.531  -6.531
  137   2HG2  THR  17          1HG2      THR  17  -6.804  -6.723  -6.723
  138   3HG2  THR  17          2HG2      THR  17  -6.796  -5.344  -5.344
  139    HA   PRO  18           HA       PRO  18  -4.919  -3.440  -3.440
  140   1HB   PRO  18          1HB       PRO  18  -2.281  -3.738  -3.738
  141   2HB   PRO  18          2HB       PRO  18  -2.426  -2.779  -2.779
  142   1HG   PRO  18          1HG       PRO  18  -3.311  -4.203  -4.203
  143   2HG   PRO  18          2HG       PRO  18  -3.681  -5.215  -5.215
  144   1HD   PRO  18          1HD       PRO  18  -3.256  -5.715  -5.715
  145   2HD   PRO  18          2HD       PRO  18  -3.980  -6.600  -6.600
  146    H    CYS  19           H        CYS  19  -3.683  -1.769  -1.769
  147    HA   CYS  19           HA       CYS  19  -5.324  -0.412  -0.412
  148   1HB   CYS  19          1HB       CYS  19  -3.101   1.339   1.339
  149   2HB   CYS  19          2HB       CYS  19  -4.174   1.811   1.811
  150    H    CYS  20           H        CYS  20  -6.670   0.816   0.816
  151    HA   CYS  20           HA       CYS  20  -8.108   0.444   0.444
  152   1HB   CYS  20          1HB       CYS  20  -8.932   0.463   0.463
  153   2HB   CYS  20          2HB       CYS  20  -9.778   1.774   1.774
  154    H    ARG  21           H        ARG  21  -9.486   2.198   2.198
  155    HA   ARG  21           HA       ARG  21  -9.438   4.092   4.092
  156   1HB   ARG  21          1HB       ARG  21  -8.684   5.931   5.931
  157   2HB   ARG  21          2HB       ARG  21  -9.917   6.124   6.124
  158   1HG   ARG  21          1HG       ARG  21 -11.258   4.262   4.262
  159   2HG   ARG  21          2HG       ARG  21 -10.036   4.334   4.334
  160   1HD   ARG  21          1HD       ARG  21 -11.682   6.801   6.801
  161   2HD   ARG  21          2HD       ARG  21 -12.136   5.749   5.749
  162   1HH1  ARG  21          2HH2      ARG  21 -11.227   4.959   4.959
  163   2HH1  ARG  21          1HH2      ARG  21 -10.369   5.476   5.476
  164   1HH2  ARG  21          1HH1      ARG  21  -9.012   8.293   8.293
  165   2HH2  ARG  21          2HH1      ARG  21  -9.202   7.233   7.233
  166    H    GLY  22           H        GLY  22  -7.266   2.905   2.905
  167   1HA   GLY  22          1HA       GLY  22  -5.185   3.356   3.356
  168   2HA   GLY  22          2HA       GLY  22  -5.097   4.966   4.966
  169    H    ARG  23           H        ARG  23  -3.086   2.718   2.718
  170    HA   ARG  23           HA       ARG  23  -1.960   3.004   3.004
  171   1HB   ARG  23          1HB       ARG  23  -1.616   0.733   0.733
  172   2HB   ARG  23          2HB       ARG  23  -3.279   0.994   0.994
  173   1HG   ARG  23          1HG       ARG  23  -1.507  -0.409  -0.409
  174   2HG   ARG  23          2HG       ARG  23  -2.211  -1.211  -1.211
  175   1HD   ARG  23          1HD       ARG  23  -3.808  -1.753  -1.753
  176   2HD   ARG  23          2HD       ARG  23  -4.546  -0.355  -0.355
  177   1HH1  ARG  23          2HH2      ARG  23  -6.180  -0.355  -0.355
  178   2HH1  ARG  23          1HH2      ARG  23  -6.924   0.370   0.370
  179   1HH2  ARG  23          1HH1      ARG  23  -3.876   1.005   1.005
  180   2HH2  ARG  23          2HH1      ARG  23  -5.706   1.087   1.087
  181    H    GLY  24           H        GLY  24   0.009   2.045   2.045
  182   1HA   GLY  24          1HA       GLY  24   1.813   1.029   1.029
  183   2HA   GLY  24          2HA       GLY  24   2.429   2.514   2.514
  184    H    CYS  25           H        CYS  25   2.242  -0.403  -0.403
  185    HA   CYS  25           HA       CYS  25   2.577  -0.645  -0.645
  186   1HB   CYS  25          1HB       CYS  25   0.762  -2.165  -2.165
  187   2HB   CYS  25          2HB       CYS  25   1.803  -2.940  -2.940
  188    H    ILE  26           H        ILE  26   4.512  -0.892  -0.892
  189    HA   ILE  26           HA       ILE  26   6.608  -2.494  -2.494
  190    HB   ILE  26           HB       ILE  26   7.389  -0.477  -0.477
  191   1HG1  ILE  26          1HG1      ILE  26   6.822   0.983   0.983
  192   2HG1  ILE  26          2HG1      ILE  26   8.564   0.858   0.858
  193   1HG2  ILE  26          3HG2      ILE  26   9.039  -2.439  -2.439
  194   2HG2  ILE  26          1HG2      ILE  26   9.767  -1.021  -1.021
  195   3HG2  ILE  26          2HG2      ILE  26   8.881  -2.251  -2.251
  196   1HD1  ILE  26          3HD1      ILE  26   8.371  -0.759  -0.759
  197   2HD1  ILE  26          1HD1      ILE  26   6.613  -0.469  -0.469
  198   3HD1  ILE  26          2HD1      ILE  26   7.714   0.874   0.874
  199    H    CYS  27           H        CYS  27   7.340  -4.026  -4.026
  200    HA   CYS  27           HA       CYS  27   6.173  -4.663  -4.663
  201   1HB   CYS  27          1HB       CYS  27   6.335  -6.750  -6.750
  202   2HB   CYS  27          2HB       CYS  27   5.700  -6.972  -6.972
  203    H    SER  28           H        SER  28   7.015  -6.872  -6.872
  204    HA   SER  28           HA       SER  28  10.019  -6.776  -6.776
  205   1HB   SER  28          1HB       SER  28   9.701  -7.624  -7.624
  206   2HB   SER  28          2HB       SER  28   9.530  -5.993  -5.993
  207    HG   SER  28           HG       SER  28   7.302  -6.199  -6.199
  208    H    ILE  29           H        ILE  29  10.776  -8.355  -8.355
  209    HA   ILE  29           HA       ILE  29  10.928 -10.376 -10.376
  210    HB   ILE  29           HB       ILE  29  11.756 -11.134 -11.134
  211   1HG1  ILE  29          1HG1      ILE  29  13.653  -9.801  -9.801
  212   2HG1  ILE  29          2HG1      ILE  29  12.662  -8.790  -8.790
  213   1HG2  ILE  29          3HG2      ILE  29  12.864 -12.087 -12.087
  214   2HG2  ILE  29          1HG2      ILE  29  13.616 -12.450 -12.450
  215   3HG2  ILE  29          2HG2      ILE  29  12.029 -13.099 -13.099
  216   1HD1  ILE  29          3HD1      ILE  29  13.584  -9.769  -9.769
  217   2HD1  ILE  29          1HD1      ILE  29  14.681 -10.797 -10.797
  218   3HD1  ILE  29          2HD1      ILE  29  14.823  -9.021  -9.021
  219    H    MET  30           H        MET  30   8.605 -10.328 -10.328
  220    HA   MET  30           HA       MET  30   7.433 -13.040 -13.040
  221   1HB   MET  30          1HB       MET  30   7.393 -12.774 -12.774
  222   2HB   MET  30          2HB       MET  30   6.158 -11.586 -11.586
  223   1HG   MET  30          1HG       MET  30   5.189 -13.777 -13.777
  224   2HG   MET  30          2HG       MET  30   4.722 -13.378 -13.378
  225   1HE   MET  30          2HE       MET  30   4.536 -16.348 -16.348
  226   2HE   MET  30          1HE       MET  30   4.150 -15.926 -15.926
  227   3HE   MET  30          3HE       MET  30   5.254 -17.288 -17.288
  228    H    GLY  31           H        GLY  31   6.355  -9.673  -9.673
  229   1HA   GLY  31          1HA       GLY  31   4.586  -8.485  -8.485
  230   2HA   GLY  31          2HA       GLY  31   4.114 -10.000 -10.000
  231    H    THR  32           H        THR  32   4.540  -8.831  -8.831
  232    HA   THR  32           HA       THR  32   1.737  -9.519  -9.519
  233    HB   THR  32           HB       THR  32   4.099 -11.150 -11.150
  234    HG1  THR  32           HG1      THR  32   3.233 -11.756 -11.756
  235   1HG2  THR  32          2HG2      THR  32   1.149 -11.396 -11.396
  236   2HG2  THR  32          3HG2      THR  32   2.471 -12.516 -12.516
  237   3HG2  THR  32          1HG2      THR  32   2.502 -10.846 -10.846
  238    H    ASN  33           H        ASN  33   4.625  -9.050  -9.050
  239    HA   ASN  33           HA       ASN  33   3.781  -7.162  -7.162
  240   1HB   ASN  33          2HB       ASN  33   6.240  -8.682  -8.682
  241   2HB   ASN  33          1HB       ASN  33   6.657  -7.376  -7.376
  242   1HD2  ASN  33          1HD2      ASN  33   5.459 -10.683 -10.683
  243   2HD2  ASN  33          2HD2      ASN  33   5.572 -10.585 -10.585
  244    H    CYS  34           H        CYS  34   3.658  -6.513  -6.513
  245    HA   CYS  34           HA       CYS  34   5.515  -4.631  -4.631
  246   1HB   CYS  34          1HB       CYS  34   3.615  -6.083  -6.083
  247   2HB   CYS  34          2HB       CYS  34   2.549  -4.804  -4.804
  248    H    GLU  35           H        GLU  35   3.873  -2.819  -2.819
  249    HA   GLU  35           HA       GLU  35   2.382  -1.071  -1.071
  250   1HB   GLU  35          1HB       GLU  35   3.680   0.999   0.999
  251   2HB   GLU  35          2HB       GLU  35   4.316  -0.375  -0.375
  252   1HG   GLU  35          1HG       GLU  35   6.270   0.665   0.665
  253   2HG   GLU  35          2HG       GLU  35   6.149  -0.532  -0.532
  254    HE2  GLU  35           HE2      GLU  35   6.068   1.814   1.814
  255    H    CYS  36           H        CYS  36   1.498   0.824   0.824
  256    HA   CYS  36           HA       CYS  36   1.706   0.709   0.709
  257   1HB   CYS  36          1HB       CYS  36  -0.578   1.635   1.635
  258   2HB   CYS  36          2HB       CYS  36  -0.450   2.140   2.140
  259    H    LYS  37           H        LYS  37   3.525   2.177   2.177
  260    HA   LYS  37           HA       LYS  37   4.121   4.172   4.172
  261   1HB   LYS  37          1HB       LYS  37   5.582   3.151   3.151
  262   2HB   LYS  37          2HB       LYS  37   4.900   4.320   4.320
  263   1HG   LYS  37          1HG       LYS  37   5.894   6.187   6.187
  264   2HG   LYS  37          2HG       LYS  37   6.500   5.034   5.034
  265   1HD   LYS  37          1HD       LYS  37   7.345   5.055   5.055
  266   2HD   LYS  37          2HD       LYS  37   8.190   5.929   5.929
  267   1HE   LYS  37          1HE       LYS  37   8.678   3.763   3.763
  268   2HE   LYS  37          2HE       LYS  37   7.842   2.853   2.853
  269   1HZ   LYS  37          1HZ       LYS  37  10.186   2.876   2.876
  270   2HZ   LYS  37          2HZ       LYS  37   9.435   3.670   3.670
  271    HA   PRO  38           HA       PRO  38   1.006   7.051   7.051
  272   1HB   PRO  38          1HB       PRO  38   2.252   9.643   9.643
  273   2HB   PRO  38          2HB       PRO  38   1.836   8.422   8.422
  274   1HG   PRO  38          1HG       PRO  38   4.481   8.737   8.737
  275   2HG   PRO  38          2HG       PRO  38   4.240   8.542   8.542
  276   1HD   PRO  38          1HD       PRO  38   4.917   6.377   6.377
  277   2HD   PRO  38          2HD       PRO  38   3.547   6.168   6.168
  278    H    ARG  39           H        ARG  39  -0.409   8.086   8.086
  279    HA   ARG  39           HA       ARG  39   0.386   9.330   9.330
  280   1HB   ARG  39          1HB       ARG  39  -2.040   7.576   7.576
  281   2HB   ARG  39          2HB       ARG  39  -1.880   8.442   8.442
  282   1HG   ARG  39          1HG       ARG  39   0.369   7.167   7.167
  283   2HG   ARG  39          2HG       ARG  39  -0.090   6.170   6.170
  284   1HD   ARG  39          1HD       ARG  39  -0.787   4.955   4.955
  285   2HD   ARG  39          2HD       ARG  39  -2.287   5.566   5.566
  286   1HH1  ARG  39          2HH2      ARG  39  -3.794   6.750   6.750
  287   2HH1  ARG  39          1HH2      ARG  39  -4.677   7.559   7.559
  288   1HH2  ARG  39          1HH1      ARG  39  -1.974   7.401   7.401
  289   2HH2  ARG  39          2HH1      ARG  39  -3.719   7.899   7.899
  290    H    LEU  40           H        LEU  40  -1.609  10.436  10.436
  291    HA   LEU  40           HA       LEU  40  -2.125  12.870  12.870
  292   1HB   LEU  40          1HB       LEU  40  -0.693  13.197  13.197
  293   2HB   LEU  40          2HB       LEU  40  -1.888  12.586  12.586
  294    HG   LEU  40           HG       LEU  40  -3.412  14.382  14.382
  295   1HD1  LEU  40          1HD2      LEU  40  -1.401  15.569  15.569
  296   2HD1  LEU  40          2HD2      LEU  40  -2.824  16.431  16.431
  297   3HD1  LEU  40          3HD2      LEU  40  -3.042  14.990  14.990
  298   1HD2  LEU  40          2HD1      LEU  40  -1.542  14.659  14.659
  299   2HD2  LEU  40          3HD1      LEU  40  -1.969  16.248  16.248
  300   3HD2  LEU  40          1HD1      LEU  40  -0.509  15.360  15.360
  301    H    ILE  41           H        ILE  41  -3.640  11.425  11.425
  302    HA   ILE  41           HA       ILE  41  -6.478  12.288  12.288
  303    HB   ILE  41           HB       ILE  41  -7.425  11.303  11.303
  304   1HG1  ILE  41          1HG1      ILE  41  -4.561  10.593  10.593
  305   2HG1  ILE  41          2HG1      ILE  41  -5.670   9.420   9.420
  306   1HG2  ILE  41          1HG2      ILE  41  -6.661  13.674  13.674
  307   2HG2  ILE  41          2HG2      ILE  41  -5.070  13.181  13.181
  308   3HG2  ILE  41          3HG2      ILE  41  -6.537  12.947  12.947
  309   1HD1  ILE  41          2HD1      ILE  41  -7.320   9.813   9.813
  310   2HD1  ILE  41          3HD1      ILE  41  -6.178  10.961  10.961
  311   3HD1  ILE  41          1HD1      ILE  41  -5.734   9.248   9.248
  312    H    MET  42           H        MET  42  -5.013  10.365  10.365
  313    HA   MET  42           HA       MET  42  -7.476   9.023   9.023
  314   1HB   MET  42          1HB       MET  42  -6.778   6.738   6.738
  315   2HB   MET  42          2HB       MET  42  -6.746   7.202   7.202
  316   1HG   MET  42          1HG       MET  42  -4.315   7.209   7.209
  317   2HG   MET  42          2HG       MET  42  -4.147   7.192   7.192
  318   1HE   MET  42          2HE       MET  42  -5.549   5.324   5.324
  319   2HE   MET  42          1HE       MET  42  -5.102   3.637   3.637
  320   3HE   MET  42          3HE       MET  42  -3.823   4.859   4.859
  321    H    GLU  43           H        GLU  43  -5.535  11.210  11.210
  322    HA   GLU  43           HA       GLU  43  -4.565  10.079  10.079
  323   1HB   GLU  43          1HB       GLU  43  -2.973  10.735  10.735
  324   2HB   GLU  43          2HB       GLU  43  -3.853  12.196  12.196
  325   1HG   GLU  43          1HG       GLU  43  -3.646  13.094  13.094
  326   2HG   GLU  43          2HG       GLU  43  -2.765  11.788  11.788
  327    HE2  GLU  43           HE2      GLU  43   0.341  12.479  12.479
  328    H    GLY  44           H        GLY  44  -5.340  13.011  13.011
  329   1HA   GLY  44          1HA       GLY  44  -7.611  13.298  13.298
  330   2HA   GLY  44          2HA       GLY  44  -6.776  14.665  14.665
  331    H    LEU  45           H        LEU  45  -8.689  11.933  11.933
  332    HA   LEU  45           HA       LEU  45 -10.229  11.726  11.726
  333   1HB   LEU  45          1HB       LEU  45 -12.369  12.642  12.642
  334   2HB   LEU  45          2HB       LEU  45 -11.717  12.069  12.069
  335    HG   LEU  45           HG       LEU  45 -11.467  15.069  15.069
  336   1HD1  LEU  45          2HD1      LEU  45 -13.807  14.582  14.582
  337   2HD1  LEU  45          3HD1      LEU  45 -14.132  13.764  13.764
  338   3HD1  LEU  45          1HD1      LEU  45 -13.785  15.512  15.512
  339   1HD2  LEU  45          2HD2      LEU  45 -10.540  14.152  14.152
  340   2HD2  LEU  45          3HD2      LEU  45 -11.875  15.277  15.277
  341   3HD2  LEU  45          1HD2      LEU  45 -12.146  13.523  13.523
  342    H    GLY  46           H        GLY  46  -8.355  12.691  12.691
  343   1HA   GLY  46          1HA       GLY  46  -8.525  13.326  13.326
  344   2HA   GLY  46          2HA       GLY  46  -9.648  14.598  14.598
  345    H    LEU  47           H        LEU  47  -8.784  16.196  16.196
  346    HA   LEU  47           HA       LEU  47  -7.376  17.961  17.961
  347   1HB   LEU  47          1HB       LEU  47  -4.971  16.236  16.236
  348   2HB   LEU  47          2HB       LEU  47  -4.875  17.840  17.840
  349    HG   LEU  47           HG       LEU  47  -6.251  15.478  15.478
  350   1HD1  LEU  47          2HD1      LEU  47  -3.389  16.564  16.564
  351   2HD1  LEU  47          3HD1      LEU  47  -4.189  15.346  15.346
  352   3HD1  LEU  47          1HD1      LEU  47  -3.845  14.978  14.978
  353   1HD2  LEU  47          1HD2      LEU  47  -5.416  18.251  18.251
  354   2HD2  LEU  47          2HD2      LEU  47  -7.084  17.667  17.667
  355   3HD2  LEU  47          3HD2      LEU  47  -6.044  16.902  16.902
  356    H    ALA  48           H        ALA  48  -8.716  18.409  18.409
  357    HA   ALA  48           HA       ALA  48  -7.310  19.100  19.100
  358   1HB   ALA  48          2HB       ALA  48  -9.640  18.240  18.240
  359   2HB   ALA  48          3HB       ALA  48 -10.224  19.652  19.652
  360   3HB   ALA  48          1HB       ALA  48  -9.552  19.859  19.859
  361    HXT  ALA  48           HO        OH  49  -6.286  22.267  22.267

  Start of MODEL   11
    1   1H    LYS   1          3H        LYS   1  -9.507  -8.224  -8.224
    2   2H    LYS   1          1H        LYS   1  -8.502  -8.822  -8.822
    3   3H    LYS   1          2H        LYS   1  -7.878  -7.981  -7.981
    4    HA   LYS   1           HA       LYS   1  -8.972  -5.940  -5.940
    5   1HB   LYS   1          1HB       LYS   1  -7.266  -7.259  -7.259
    6   2HB   LYS   1          2HB       LYS   1  -7.681  -5.562  -5.562
    7   1HG   LYS   1          1HG       LYS   1  -6.029  -6.967  -6.967
    8   2HG   LYS   1          2HG       LYS   1  -5.361  -6.133  -6.133
    9   1HD   LYS   1          1HD       LYS   1  -6.484  -3.969  -3.969
   10   2HD   LYS   1          2HD       LYS   1  -7.063  -4.809  -4.809
   11   1HE   LYS   1          1HE       LYS   1  -4.665  -5.312  -5.312
   12   2HE   LYS   1          2HE       LYS   1  -4.078  -4.485  -4.485
   13   1HZ   LYS   1          1HZ       LYS   1  -5.068  -2.450  -2.450
   14   2HZ   LYS   1          2HZ       LYS   1  -4.032  -3.045  -3.045
   15    H    LYS   2           H        LYS   2 -11.121  -5.877  -5.877
   16    HA   LYS   2           HA       LYS   2 -12.434  -7.279  -7.279
   17   1HB   LYS   2          1HB       LYS   2 -13.388  -7.518  -7.518
   18   2HB   LYS   2          2HB       LYS   2 -13.734  -5.793  -5.793
   19   1HG   LYS   2          1HG       LYS   2 -15.277  -6.094  -6.094
   20   2HG   LYS   2          2HG       LYS   2 -14.864  -7.800  -7.800
   21   1HD   LYS   2          1HD       LYS   2 -16.988  -7.668  -7.668
   22   2HD   LYS   2          2HD       LYS   2 -15.855  -8.087  -8.087
   23   1HE   LYS   2          1HE       LYS   2 -15.860  -5.657  -5.657
   24   2HE   LYS   2          2HE       LYS   2 -16.957  -5.232  -5.232
   25   1HZ   LYS   2          1HZ       LYS   2 -17.560  -7.189  -7.189
   26   2HZ   LYS   2          2HZ       LYS   2 -18.575  -6.790  -6.790
   27    H    LYS   3           H        LYS   3 -12.389  -6.170  -6.170
   28    HA   LYS   3           HA       LYS   3 -12.607  -4.554  -4.554
   29   1HB   LYS   3          1HB       LYS   3 -14.856  -4.200  -4.200
   30   2HB   LYS   3          2HB       LYS   3 -14.213  -2.864  -2.864
   31   1HG   LYS   3          1HG       LYS   3 -13.613  -1.656  -1.656
   32   2HG   LYS   3          2HG       LYS   3 -14.279  -3.005  -3.005
   33   1HD   LYS   3          1HD       LYS   3 -16.545  -2.612  -2.612
   34   2HD   LYS   3          2HD       LYS   3 -15.873  -1.272  -1.272
   35   1HE   LYS   3          1HE       LYS   3 -15.306  -0.046  -0.046
   36   2HE   LYS   3          2HE       LYS   3 -15.983  -1.386  -1.386
   37   1HZ   LYS   3          1HZ       LYS   3 -17.491   0.252   0.252
   38   2HZ   LYS   3          2HZ       LYS   3 -18.117  -0.986  -0.986
   39    H    CYS   4           H        CYS   4 -10.564  -4.051  -4.051
   40    HA   CYS   4           HA       CYS   4  -8.527  -3.055  -3.055
   41   1HB   CYS   4          1HB       CYS   4  -8.541  -0.579  -0.579
   42   2HB   CYS   4          2HB       CYS   4  -9.783  -1.293  -1.293
   43    H    ILE   5           H        ILE   5  -6.911  -1.358  -1.358
   44    HA   ILE   5           HA       ILE   5  -6.590  -1.730  -1.730
   45    HB   ILE   5           HB       ILE   5  -4.583  -0.803  -0.803
   46   1HG1  ILE   5          1HG1      ILE   5  -5.060  -3.091  -3.091
   47   2HG1  ILE   5          2HG1      ILE   5  -3.388  -2.815  -2.815
   48   1HG2  ILE   5          3HG2      ILE   5  -4.287  -1.260  -1.260
   49   2HG2  ILE   5          1HG2      ILE   5  -2.899  -1.091  -1.091
   50   3HG2  ILE   5          2HG2      ILE   5  -4.050   0.252   0.252
   51   1HD1  ILE   5          3HD1      ILE   5  -5.526  -4.086  -4.086
   52   2HD1  ILE   5          1HD1      ILE   5  -4.179  -4.907  -4.907
   53   3HD1  ILE   5          2HD1      ILE   5  -3.826  -3.780  -3.780
   54    H    ALA   6           H        ALA   6  -7.603   0.104   0.104
   55    HA   ALA   6           HA       ALA   6  -7.653   2.785   2.785
   56   1HB   ALA   6          2HB       ALA   6  -9.844   1.828   1.828
   57   2HB   ALA   6          3HB       ALA   6  -9.509   1.822   1.822
   58   3HB   ALA   6          1HB       ALA   6  -9.609   3.364   3.364
   59    H    LYS   7           H        LYS   7  -5.339   2.605   2.605
   60    HA   LYS   7           HA       LYS   7  -4.745   4.681   4.681
   61   1HB   LYS   7          1HB       LYS   7  -3.206   3.119   3.119
   62   2HB   LYS   7          2HB       LYS   7  -4.920   3.152   3.152
   63   1HG   LYS   7          1HG       LYS   7  -5.249   0.960   0.960
   64   2HG   LYS   7          2HG       LYS   7  -3.556   0.941   0.941
   65   1HD   LYS   7          1HD       LYS   7  -3.793  -0.531  -0.531
   66   2HD   LYS   7          2HD       LYS   7  -2.954   0.880   0.880
   67   1HE   LYS   7          1HE       LYS   7  -4.578   0.196   0.196
   68   2HE   LYS   7          2HE       LYS   7  -5.115   1.744   1.744
   69   1HZ   LYS   7          1HZ       LYS   7  -6.914   0.161   0.161
   70   2HZ   LYS   7          2HZ       LYS   7  -6.180  -0.927  -0.927
   71    H    ASP   8           H        ASP   8  -3.146   5.822   5.822
   72    HA   ASP   8           HA       ASP   8  -1.263   4.725   4.725
   73   1HB   ASP   8          1HB       ASP   8  -1.319   7.337   7.337
   74   2HB   ASP   8          2HB       ASP   8  -0.345   6.988   6.988
   75    HD2  ASP   8           HD2      ASP   8  -2.844   9.185   9.185
   76    H    TYR   9           H        TYR   9   0.568   3.529   3.529
   77    HA   TYR   9           HA       TYR   9   2.434   2.798   2.798
   78   1HB   TYR   9          2HB       TYR   9   1.829   4.236   4.236
   79   2HB   TYR   9          1HB       TYR   9   3.299   3.461   3.461
   80    HD1  TYR   9           HD2      TYR   9   1.851   6.333   6.333
   81    HD2  TYR   9           HD1      TYR   9   4.679   5.160   5.160
   82    HE1  TYR   9           HE2      TYR   9   2.884   8.442   8.442
   83    HE2  TYR   9           HE1      TYR   9   5.745   7.336   7.336
   84    HH   TYR   9           HH       TYR   9   4.508   9.799   9.799
   85    H    GLY  10           H        GLY  10   0.316   1.727   1.727
   86   1HA   GLY  10          1HA       GLY  10  -1.327   0.700   0.700
   87   2HA   GLY  10          2HA       GLY  10  -1.665   0.329   0.329
   88    H    ARG  11           H        ARG  11  -1.645  -1.964  -1.964
   89    HA   ARG  11           HA       ARG  11   0.841  -3.369  -3.369
   90   1HB   ARG  11          1HB       ARG  11  -1.673  -3.982  -3.982
   91   2HB   ARG  11          2HB       ARG  11  -0.259  -5.012  -5.012
   92   1HG   ARG  11          1HG       ARG  11  -0.306  -2.148  -2.148
   93   2HG   ARG  11          2HG       ARG  11  -0.366  -3.626  -3.626
   94   1HD   ARG  11          1HD       ARG  11   1.932  -4.290  -4.290
   95   2HD   ARG  11          2HD       ARG  11   2.016  -2.900  -2.900
   96   1HH1  ARG  11          2HH2      ARG  11   4.166  -2.959  -2.959
   97   2HH1  ARG  11          1HH2      ARG  11   5.257  -1.974  -1.974
   98   1HH2  ARG  11          1HH1      ARG  11   2.652  -0.962  -0.962
   99   2HH2  ARG  11          2HH1      ARG  11   4.450  -0.912  -0.912
  100    H    CYS  12           H        CYS  12   0.403  -3.349  -3.349
  101    HA   CYS  12           HA       CYS  12  -1.760  -4.913  -4.913
  102   1HB   CYS  12          2HB       CYS  12  -1.067  -3.822  -3.822
  103   2HB   CYS  12          1HB       CYS  12  -0.950  -2.654  -2.654
  104    H    LYS  13           H        LYS  13  -1.011  -5.928  -5.928
  105    HA   LYS  13           HA       LYS  13   1.538  -7.377  -7.377
  106   1HB   LYS  13          1HB       LYS  13   0.972  -9.672  -9.672
  107   2HB   LYS  13          2HB       LYS  13   0.385  -9.045  -9.045
  108   1HG   LYS  13          1HG       LYS  13  -1.968  -9.155  -9.155
  109   2HG   LYS  13          2HG       LYS  13  -1.464  -9.428  -9.428
  110   1HD   LYS  13          1HD       LYS  13  -2.144 -11.543 -11.543
  111   2HD   LYS  13          2HD       LYS  13  -0.392 -11.610 -11.610
  112   1HE   LYS  13          1HE       LYS  13  -0.204 -11.286 -11.286
  113   2HE   LYS  13          2HE       LYS  13  -1.969 -11.223 -11.223
  114   1HZ   LYS  13          1HZ       LYS  13  -0.400 -13.522 -13.522
  115   2HZ   LYS  13          2HZ       LYS  13  -2.031 -13.471 -13.471
  116    H    TRP  14           H        TRP  14   1.825  -8.661  -8.661
  117    HA   TRP  14           HA       TRP  14   0.367  -7.499  -7.499
  118   1HB   TRP  14          1HB       TRP  14   3.258  -8.478  -8.478
  119   2HB   TRP  14          2HB       TRP  14   2.404  -8.564  -8.564
  120    HD1  TRP  14           HD1      TRP  14   1.435  -5.239  -5.239
  121    HE1  TRP  14           HE1      TRP  14   2.547  -3.222  -3.222
  122    HE3  TRP  14           HE3      TRP  14   4.692  -7.975  -7.975
  123    HZ2  TRP  14           HZ2      TRP  14   4.618  -2.977  -2.977
  124    HZ3  TRP  14           HZ3      TRP  14   6.229  -6.761  -6.761
  125    HH2  TRP  14           HH2      TRP  14   6.194  -4.303  -4.303
  126    H    GLY  15           H        GLY  15  -1.188  -8.749  -8.749
  127   1HA   GLY  15          1HA       GLY  15  -2.176 -10.970 -10.970
  128   2HA   GLY  15          2HA       GLY  15  -1.081 -11.813 -11.813
  129    H    GLY  16           H        GLY  16  -2.883  -8.841  -8.841
  130   1HA   GLY  16          1HA       GLY  16  -4.806 -10.274 -10.274
  131   2HA   GLY  16          2HA       GLY  16  -3.789  -8.928  -8.928
  132    H    THR  17           H        THR  17  -5.442  -7.840  -7.840
  133    HA   THR  17           HA       THR  17  -7.629  -6.814  -6.814
  134    HB   THR  17           HB       THR  17  -6.820  -6.280  -6.280
  135    HG1  THR  17           HG1      THR  17  -8.708  -5.266  -5.266
  136   1HG2  THR  17          1HG2      THR  17  -5.349  -4.615  -4.615
  137   2HG2  THR  17          2HG2      THR  17  -6.676  -3.660  -3.660
  138   3HG2  THR  17          3HG2      THR  17  -6.761  -4.174  -4.174
  139    HA   PRO  18           HA       PRO  18  -5.653  -3.728  -3.728
  140   1HB   PRO  18          1HB       PRO  18  -7.382  -1.525  -1.525
  141   2HB   PRO  18          2HB       PRO  18  -7.895  -3.081  -3.081
  142   1HG   PRO  18          1HG       PRO  18  -8.167  -2.200  -2.200
  143   2HG   PRO  18          2HG       PRO  18  -9.534  -2.569  -2.569
  144   1HD   PRO  18          1HD       PRO  18  -8.651  -4.504  -4.504
  145   2HD   PRO  18          2HD       PRO  18  -8.806  -4.932  -4.932
  146    H    CYS  19           H        CYS  19  -6.333  -2.646  -2.646
  147    HA   CYS  19           HA       CYS  19  -5.363  -1.202  -1.202
  148   1HB   CYS  19          1HB       CYS  19  -3.110  -1.416  -1.416
  149   2HB   CYS  19          2HB       CYS  19  -3.273  -0.006  -0.006
  150    H    CYS  20           H        CYS  20  -5.874   0.781   0.781
  151    HA   CYS  20           HA       CYS  20  -8.279   1.585   1.585
  152   1HB   CYS  20          1HB       CYS  20  -8.240   1.115   1.115
  153   2HB   CYS  20          2HB       CYS  20  -8.332   2.866   2.866
  154    H    ARG  21           H        ARG  21  -6.110   3.750   3.750
  155    HA   ARG  21           HA       ARG  21  -7.062   6.181   6.181
  156   1HB   ARG  21          1HB       ARG  21  -5.564   5.932   5.932
  157   2HB   ARG  21          2HB       ARG  21  -6.246   7.380   7.380
  158   1HG   ARG  21          1HG       ARG  21  -8.575   6.209   6.209
  159   2HG   ARG  21          2HG       ARG  21  -7.804   5.003   5.003
  160   1HD   ARG  21          1HD       ARG  21  -8.022   8.031   8.031
  161   2HD   ARG  21          2HD       ARG  21  -8.971   6.762   6.762
  162   1HH1  ARG  21          2HH2      ARG  21  -6.318   8.957   8.957
  163   2HH1  ARG  21          1HH2      ARG  21  -4.926   9.308   9.308
  164   1HH2  ARG  21          1HH1      ARG  21  -5.451   6.481   6.481
  165   2HH2  ARG  21          2HH1      ARG  21  -4.471   8.005   8.005
  166    H    GLY  22           H        GLY  22  -4.674   7.043   7.043
  167   1HA   GLY  22          1HA       GLY  22  -2.858   7.458   7.458
  168   2HA   GLY  22          2HA       GLY  22  -2.419   7.947   7.947
  169    H    ARG  23           H        ARG  23  -2.321   5.426   5.426
  170    HA   ARG  23           HA       ARG  23  -1.159   3.412   3.412
  171   1HB   ARG  23          1HB       ARG  23  -2.033   1.744   1.744
  172   2HB   ARG  23          2HB       ARG  23  -3.281   2.946   2.946
  173   1HG   ARG  23          1HG       ARG  23  -2.461   3.852   3.852
  174   2HG   ARG  23          2HG       ARG  23  -1.503   2.387   2.387
  175   1HD   ARG  23          1HD       ARG  23  -3.416   1.792   1.792
  176   2HD   ARG  23          2HD       ARG  23  -3.710   1.029   1.029
  177   1HH1  ARG  23          1HH2      ARG  23  -7.128   1.089   1.089
  178   2HH1  ARG  23          2HH2      ARG  23  -5.362   0.680   0.680
  179   1HH2  ARG  23          1HH1      ARG  23  -6.979   4.010   4.010
  180   2HH2  ARG  23          2HH1      ARG  23  -7.978   2.848   2.848
  181    H    GLY  24           H        GLY  24   0.080   1.777   1.777
  182   1HA   GLY  24          1HA       GLY  24   1.725   1.387   1.387
  183   2HA   GLY  24          2HA       GLY  24   2.741   2.528   2.528
  184    H    CYS  25           H        CYS  25   1.940  -0.328  -0.328
  185    HA   CYS  25           HA       CYS  25   2.286  -1.238  -1.238
  186   1HB   CYS  25          1HB       CYS  25   0.331  -2.256  -2.256
  187   2HB   CYS  25          2HB       CYS  25   1.185  -2.948  -2.948
  188    H    ILE  26           H        ILE  26   4.444  -0.574  -0.574
  189    HA   ILE  26           HA       ILE  26   6.533  -2.473  -2.473
  190    HB   ILE  26           HB       ILE  26   6.852  -0.275  -0.275
  191   1HG1  ILE  26          1HG1      ILE  26   6.313   0.916   0.916
  192   2HG1  ILE  26          2HG1      ILE  26   8.035   1.101   1.101
  193   1HG2  ILE  26          2HG2      ILE  26   8.967  -2.043  -2.043
  194   2HG2  ILE  26          3HG2      ILE  26   9.347  -0.467  -0.467
  195   3HG2  ILE  26          1HG2      ILE  26   8.561  -1.759  -1.759
  196   1HD1  ILE  26          2HD1      ILE  26   8.409  -0.666  -0.666
  197   2HD1  ILE  26          3HD1      ILE  26   6.638  -0.735  -0.735
  198   3HD1  ILE  26          1HD1      ILE  26   7.508   0.773   0.773
  199    H    CYS  27           H        CYS  27   7.598  -3.779  -3.779
  200    HA   CYS  27           HA       CYS  27   6.137  -4.632  -4.632
  201   1HB   CYS  27          1HB       CYS  27   5.772  -6.171  -6.171
  202   2HB   CYS  27          2HB       CYS  27   7.434  -6.797  -6.797
  203    H    SER  28           H        SER  28   7.534  -6.641  -6.641
  204    HA   SER  28           HA       SER  28   9.727  -5.109  -5.109
  205   1HB   SER  28          1HB       SER  28   7.626  -7.310  -7.310
  206   2HB   SER  28          2HB       SER  28   8.772  -6.750  -6.750
  207    HG   SER  28           HG       SER  28   8.013  -4.615  -4.615
  208    H    ILE  29           H        ILE  29  10.368  -7.549  -7.549
  209    HA   ILE  29           HA       ILE  29  12.632  -8.350  -8.350
  210    HB   ILE  29           HB       ILE  29  11.462  -9.490  -9.490
  211   1HG1  ILE  29          1HG1      ILE  29  11.906  -6.988  -6.988
  212   2HG1  ILE  29          2HG1      ILE  29  12.601  -7.963  -7.963
  213   1HG2  ILE  29          3HG2      ILE  29  14.335  -9.899  -9.899
  214   2HG2  ILE  29          1HG2      ILE  29  13.780 -10.184 -10.184
  215   3HG2  ILE  29          2HG2      ILE  29  13.099 -11.132 -11.132
  216   1HD1  ILE  29          3HD1      ILE  29  14.097  -6.793  -6.793
  217   2HD1  ILE  29          1HD1      ILE  29  14.156  -6.141  -6.141
  218   3HD1  ILE  29          2HD1      ILE  29  14.896  -7.718  -7.718
  219    H    MET  30           H        MET  30   9.872  -9.491  -9.491
  220    HA   MET  30           HA       MET  30  10.816 -11.997 -11.997
  221   1HB   MET  30          1HB       MET  30   8.350 -12.239 -12.239
  222   2HB   MET  30          2HB       MET  30   8.955 -13.494 -13.494
  223   1HG   MET  30          1HG       MET  30  10.339 -12.449 -12.449
  224   2HG   MET  30          2HG       MET  30   9.556 -14.015 -14.015
  225   1HE   MET  30          1HE       MET  30  11.838 -15.172 -15.172
  226   2HE   MET  30          3HE       MET  30  13.437 -14.910 -14.910
  227   3HE   MET  30          2HE       MET  30  12.635 -13.571 -13.571
  228    H    GLY  31           H        GLY  31   8.317  -9.483  -9.483
  229   1HA   GLY  31          1HA       GLY  31   6.817  -8.995  -8.995
  230   2HA   GLY  31          2HA       GLY  31   7.137 -10.558 -10.558
  231    H    THR  32           H        THR  32   5.913  -9.286  -9.286
  232    HA   THR  32           HA       THR  32   3.477 -11.001 -11.001
  233    HB   THR  32           HB       THR  32   4.124 -11.888 -11.888
  234    HG1  THR  32           HG1      THR  32   6.312 -12.102 -12.102
  235   1HG2  THR  32          2HG2      THR  32   4.133 -13.489 -13.489
  236   2HG2  THR  32          3HG2      THR  32   5.854 -13.086 -13.086
  237   3HG2  THR  32          1HG2      THR  32   5.353 -13.887 -13.887
  238    H    ASN  33           H        ASN  33   5.123  -9.583  -9.583
  239    HA   ASN  33           HA       ASN  33   2.968  -8.136  -8.136
  240   1HB   ASN  33          2HB       ASN  33   6.036  -8.642  -8.642
  241   2HB   ASN  33          1HB       ASN  33   5.366  -7.679  -7.679
  242   1HD2  ASN  33          1HD2      ASN  33   5.193 -11.534 -11.534
  243   2HD2  ASN  33          2HD2      ASN  33   6.259 -10.740 -10.740
  244    H    CYS  34           H        CYS  34   3.741  -7.204  -7.204
  245    HA   CYS  34           HA       CYS  34   5.316  -5.010  -5.010
  246   1HB   CYS  34          1HB       CYS  34   2.733  -4.953  -4.953
  247   2HB   CYS  34          2HB       CYS  34   4.196  -4.634  -4.634
  248    H    GLU  35           H        GLU  35   4.149  -2.761  -2.761
  249    HA   GLU  35           HA       GLU  35   2.255  -1.531  -1.531
  250   1HB   GLU  35          1HB       GLU  35   4.964  -0.245  -0.245
  251   2HB   GLU  35          2HB       GLU  35   3.620   0.706   0.706
  252   1HG   GLU  35          1HG       GLU  35   3.588  -0.691  -0.691
  253   2HG   GLU  35          2HG       GLU  35   4.962  -1.617  -1.617
  254    HE2  GLU  35           HE2      GLU  35   5.450   1.992   1.992
  255    H    CYS  36           H        CYS  36   1.121   0.289   0.289
  256    HA   CYS  36           HA       CYS  36   0.888   0.365   0.365
  257   1HB   CYS  36          1HB       CYS  36  -1.219   1.249   1.249
  258   2HB   CYS  36          2HB       CYS  36  -1.196   1.916   1.916
  259    H    LYS  37           H        LYS  37   2.982   1.277   1.277
  260    HA   LYS  37           HA       LYS  37   4.316   2.697   2.697
  261   1HB   LYS  37          1HB       LYS  37   2.665   3.792   3.792
  262   2HB   LYS  37          2HB       LYS  37   2.335   4.985   4.985
  263   1HG   LYS  37          1HG       LYS  37   3.716   6.191   6.191
  264   2HG   LYS  37          2HG       LYS  37   4.885   5.668   5.668
  265   1HD   LYS  37          1HD       LYS  37   4.405   4.220   4.220
  266   2HD   LYS  37          2HD       LYS  37   5.488   5.579   5.579
  267   1HE   LYS  37          1HE       LYS  37   5.895   2.917   2.917
  268   2HE   LYS  37          2HE       LYS  37   6.629   3.311   3.311
  269   1HZ   LYS  37          1HZ       LYS  37   7.055   4.806   4.806
  270   2HZ   LYS  37          2HZ       LYS  37   8.100   3.756   3.756
  271    HA   PRO  38           HA       PRO  38   5.473   4.875   4.875
  272   1HB   PRO  38          1HB       PRO  38   8.008   3.852   3.852
  273   2HB   PRO  38          2HB       PRO  38   6.541   2.938   2.938
  274   1HG   PRO  38          1HG       PRO  38   8.256   2.780   2.780
  275   2HG   PRO  38          2HG       PRO  38   7.624   1.433   1.433
  276   1HD   PRO  38          1HD       PRO  38   6.385   2.353   2.353
  277   2HD   PRO  38          2HD       PRO  38   5.461   1.602   1.602
  278    H    ARG  39           H        ARG  39   7.272   6.375   6.375
  279    HA   ARG  39           HA       ARG  39   7.939   8.190   8.190
  280   1HB   ARG  39          1HB       ARG  39   9.038   9.639   9.639
  281   2HB   ARG  39          2HB       ARG  39   7.439   9.193   9.193
  282   1HG   ARG  39          1HG       ARG  39   8.496   7.500   7.500
  283   2HG   ARG  39          2HG       ARG  39  10.088   8.065   8.065
  284   1HD   ARG  39          1HD       ARG  39   9.480  10.421  10.421
  285   2HD   ARG  39          2HD       ARG  39   7.903   9.830   9.830
  286   1HH1  ARG  39          2HH2      ARG  39   9.042  11.632  11.632
  287   2HH1  ARG  39          1HH2      ARG  39   9.677  11.813  11.813
  288   1HH2  ARG  39          1HH1      ARG  39  10.543   8.491   8.491
  289   2HH2  ARG  39          2HH1      ARG  39  10.471  10.154  10.154
  290    H    LEU  40           H        LEU  40   9.917   8.640   8.640
  291    HA   LEU  40           HA       LEU  40  11.599   6.396   6.396
  292   1HB   LEU  40          1HB       LEU  40  12.876   7.366   7.366
  293   2HB   LEU  40          2HB       LEU  40  11.183   7.697   7.697
  294    HG   LEU  40           HG       LEU  40  13.119   9.713   9.713
  295   1HD1  LEU  40          1HD2      LEU  40  13.854   9.168   9.168
  296   2HD1  LEU  40          2HD2      LEU  40  12.217   9.501   9.501
  297   3HD1  LEU  40          3HD2      LEU  40  13.201  10.822  10.822
  298   1HD2  LEU  40          1HD1      LEU  40  10.230   9.900   9.900
  299   2HD2  LEU  40          2HD1      LEU  40  10.864  10.264  10.264
  300   3HD2  LEU  40          3HD1      LEU  40  11.254  11.353  11.353
  301    H    ILE  41           H        ILE  41  12.092   8.665   8.665
  302    HA   ILE  41           HA       ILE  41  14.933   7.840   7.840
  303    HB   ILE  41           HB       ILE  41  15.168   9.766   9.766
  304   1HG1  ILE  41          1HG1      ILE  41  13.722  11.814  11.814
  305   2HG1  ILE  41          2HG1      ILE  41  12.553  10.864  10.864
  306   1HG2  ILE  41          3HG2      ILE  41  16.148   9.852   9.852
  307   2HG2  ILE  41          1HG2      ILE  41  14.680  10.642  10.642
  308   3HG2  ILE  41          2HG2      ILE  41  15.694  11.459  11.459
  309   1HD1  ILE  41          2HD1      ILE  41  13.352  10.356  10.356
  310   2HD1  ILE  41          3HD1      ILE  41  11.903  11.236  11.236
  311   3HD1  ILE  41          1HD1      ILE  41  12.063   9.503   9.503
  312    H    MET  42           H        MET  42  12.478   6.620   6.620
  313    HA   MET  42           HA       MET  42  13.430   4.997   4.997
  314   1HB   MET  42          1HB       MET  42  10.662   6.275   6.275
  315   2HB   MET  42          2HB       MET  42  11.300   4.898   4.898
  316   1HG   MET  42          1HG       MET  42  12.475   7.724   7.724
  317   2HG   MET  42          2HG       MET  42  11.554   6.888   6.888
  318   1HE   MET  42          3HE       MET  42  13.680   7.620   7.620
  319   2HE   MET  42          2HE       MET  42  15.335   6.995   6.995
  320   3HE   MET  42          1HE       MET  42  14.653   8.190   8.190
  321    H    GLU  43           H        GLU  43  13.135   4.476   4.476
  322    HA   GLU  43           HA       GLU  43  10.935   3.443   3.443
  323   1HB   GLU  43          1HB       GLU  43  13.301   3.952   3.952
  324   2HB   GLU  43          2HB       GLU  43  13.376   2.243   2.243
  325   1HG   GLU  43          1HG       GLU  43  11.093   4.177   4.177
  326   2HG   GLU  43          2HG       GLU  43  12.338   3.738   3.738
  327    HE2  GLU  43           HE2      GLU  43   9.109   1.666   1.666
  328    H    GLY  44           H        GLY  44  10.377   1.896   1.896
  329   1HA   GLY  44          1HA       GLY  44   9.134  -0.285  -0.285
  330   2HA   GLY  44          2HA       GLY  44  10.719  -1.027  -1.027
  331    H    LEU  45           H        LEU  45   9.679   1.706   1.706
  332    HA   LEU  45           HA       LEU  45   9.487   2.008   2.008
  333   1HB   LEU  45          1HB       LEU  45   7.901  -0.126  -0.126
  334   2HB   LEU  45          2HB       LEU  45   9.179  -0.939  -0.939
  335    HG   LEU  45           HG       LEU  45   8.996   0.923   0.923
  336   1HD1  LEU  45          2HD2      LEU  45   6.448   1.643   1.643
  337   2HD1  LEU  45          3HD2      LEU  45   6.807   2.226   2.226
  338   3HD1  LEU  45          1HD2      LEU  45   7.836   2.710   2.710
  339   1HD2  LEU  45          2HD1      LEU  45   7.989  -1.344  -1.344
  340   2HD2  LEU  45          3HD1      LEU  45   6.960  -0.095  -0.095
  341   3HD2  LEU  45          1HD1      LEU  45   6.501  -0.827  -0.827
  342    H    GLY  46           H        GLY  46  11.494   2.840   2.840
  343   1HA   GLY  46          1HA       GLY  46  13.273   3.107   3.107
  344   2HA   GLY  46          2HA       GLY  46  13.211   1.417   1.417
  345    H    LEU  47           H        LEU  47  14.872   3.772   3.772
  346    HA   LEU  47           HA       LEU  47  16.719   1.732   1.732
  347   1HB   LEU  47          1HB       LEU  47  16.665   4.764   4.764
  348   2HB   LEU  47          2HB       LEU  47  17.874   3.691   3.691
  349    HG   LEU  47           HG       LEU  47  14.879   3.554   3.554
  350   1HD1  LEU  47          2HD1      LEU  47  15.950   5.656   5.656
  351   2HD1  LEU  47          3HD1      LEU  47  17.179   4.697   4.697
  352   3HD1  LEU  47          1HD1      LEU  47  15.465   4.588   4.588
  353   1HD2  LEU  47          3HD2      LEU  47  17.209   2.034   2.034
  354   2HD2  LEU  47          1HD2      LEU  47  15.905   1.315   1.315
  355   3HD2  LEU  47          2HD2      LEU  47  15.522   2.064   2.064
  356    H    ALA  48           H        ALA  48  17.096   4.781   4.781
  357    HA   ALA  48           HA       ALA  48  19.055   3.364   3.364
  358   1HB   ALA  48          3HB       ALA  48  19.886   5.923   5.923
  359   2HB   ALA  48          1HB       ALA  48  20.805   5.137   5.137
  360   3HB   ALA  48          2HB       ALA  48  20.562   4.293   4.293
  361    HXT  ALA  48           HO        OH  49  17.469   7.002   7.002

  Start of MODEL   12
    1   1H    LYS   1          2H        LYS   1  -7.186  -6.013  -6.013
    2   2H    LYS   1          3H        LYS   1  -8.397  -5.663  -5.663
    3   3H    LYS   1          1H        LYS   1  -7.028  -6.424  -6.424
    4    HA   LYS   1           HA       LYS   1  -7.503  -8.377  -8.377
    5   1HB   LYS   1          1HB       LYS   1  -9.741  -7.546  -7.546
    6   2HB   LYS   1          2HB       LYS   1  -9.626  -9.145  -9.145
    7   1HG   LYS   1          1HG       LYS   1  -7.384  -9.513  -9.513
    8   2HG   LYS   1          2HG       LYS   1  -7.424  -7.901  -7.901
    9   1HD   LYS   1          1HD       LYS   1  -9.510  -8.559  -8.559
   10   2HD   LYS   1          2HD       LYS   1  -9.460 -10.148 -10.148
   11   1HE   LYS   1          1HE       LYS   1  -8.509 -10.424 -10.424
   12   2HE   LYS   1          2HE       LYS   1  -7.164 -10.565 -10.565
   13   1HZ   LYS   1          1HZ       LYS   1  -7.872  -8.116  -8.116
   14   2HZ   LYS   1          2HZ       LYS   1  -6.614  -8.235  -8.235
   15    H    LYS   2           H        LYS   2 -10.748  -6.892  -6.892
   16    HA   LYS   2           HA       LYS   2 -11.147  -7.617  -7.617
   17   1HB   LYS   2          1HB       LYS   2 -13.200  -7.346  -7.346
   18   2HB   LYS   2          2HB       LYS   2 -13.608  -7.609  -7.609
   19   1HG   LYS   2          1HG       LYS   2 -12.348  -9.772  -9.772
   20   2HG   LYS   2          2HG       LYS   2 -11.897  -9.571  -9.571
   21   1HD   LYS   2          1HD       LYS   2 -14.803  -9.795  -9.795
   22   2HD   LYS   2          2HD       LYS   2 -13.837 -11.140 -11.140
   23   1HE   LYS   2          1HE       LYS   2 -13.642 -10.023 -10.023
   24   2HE   LYS   2          2HE       LYS   2 -14.654  -8.689  -8.689
   25   1HZ   LYS   2          1HZ       LYS   2 -15.487 -11.535 -11.535
   26   2HZ   LYS   2          2HZ       LYS   2 -16.418 -10.302 -10.302
   27    H    LYS   3           H        LYS   3 -10.761  -5.883  -5.883
   28    HA   LYS   3           HA       LYS   3 -10.866  -3.800  -3.800
   29   1HB   LYS   3          1HB       LYS   3 -13.391  -4.157  -4.157
   30   2HB   LYS   3          2HB       LYS   3 -13.315  -3.009  -3.009
   31   1HG   LYS   3          1HG       LYS   3 -12.515  -2.470  -2.470
   32   2HG   LYS   3          2HG       LYS   3 -14.080  -2.114  -2.114
   33   1HD   LYS   3          1HD       LYS   3 -12.949  -0.500  -0.500
   34   2HD   LYS   3          2HD       LYS   3 -11.419  -0.787  -0.787
   35   1HE   LYS   3          1HE       LYS   3 -12.421   0.071   0.071
   36   2HE   LYS   3          2HE       LYS   3 -13.956   0.371   0.371
   37   1HZ   LYS   3          1HZ       LYS   3 -12.575   2.344   2.344
   38   2HZ   LYS   3          2HZ       LYS   3 -11.350   1.625   1.625
   39    H    CYS   4           H        CYS   4  -8.930  -3.241  -3.241
   40    HA   CYS   4           HA       CYS   4  -7.236  -1.993  -1.993
   41   1HB   CYS   4          1HB       CYS   4  -7.665   0.331   0.331
   42   2HB   CYS   4          2HB       CYS   4  -8.538  -0.276  -0.276
   43    H    ILE   5           H        ILE   5  -6.681  -0.279  -0.279
   44    HA   ILE   5           HA       ILE   5  -7.311  -1.320  -1.320
   45    HB   ILE   5           HB       ILE   5  -4.666  -0.500  -0.500
   46   1HG1  ILE   5          1HG1      ILE   5  -5.524  -2.808  -2.808
   47   2HG1  ILE   5          2HG1      ILE   5  -3.869  -2.643  -2.643
   48   1HG2  ILE   5          3HG2      ILE   5  -5.119  -1.236  -1.236
   49   2HG2  ILE   5          1HG2      ILE   5  -3.510  -1.163  -1.163
   50   3HG2  ILE   5          2HG2      ILE   5  -4.512   0.301   0.301
   51   1HD1  ILE   5          2HD1      ILE   5  -6.000  -3.461  -3.461
   52   2HD1  ILE   5          3HD1      ILE   5  -5.323  -4.623  -4.623
   53   3HD1  ILE   5          1HD1      ILE   5  -4.235  -3.776  -3.776
   54    H    ALA   6           H        ALA   6  -8.181   0.430   0.430
   55    HA   ALA   6           HA       ALA   6  -7.625   3.308   3.308
   56   1HB   ALA   6          2HB       ALA   6  -9.985   2.689   2.689
   57   2HB   ALA   6          3HB       ALA   6  -9.841   2.211   2.211
   58   3HB   ALA   6          1HB       ALA   6  -9.613   3.911   3.911
   59    H    LYS   7           H        LYS   7  -5.448   2.588   2.588
   60    HA   LYS   7           HA       LYS   7  -4.963   4.025   4.025
   61   1HB   LYS   7          1HB       LYS   7  -5.533   1.656   1.656
   62   2HB   LYS   7          2HB       LYS   7  -4.231   1.027   1.027
   63   1HG   LYS   7          1HG       LYS   7  -2.566   2.346   2.346
   64   2HG   LYS   7          2HG       LYS   7  -3.881   2.914   2.914
   65   1HD   LYS   7          1HD       LYS   7  -3.121  -0.055  -0.055
   66   2HD   LYS   7          2HD       LYS   7  -2.520   0.945   0.945
   67   1HE   LYS   7          1HE       LYS   7  -4.881   1.269   1.269
   68   2HE   LYS   7          2HE       LYS   7  -5.507   0.257   0.257
   69   1HZ   LYS   7          1HZ       LYS   7  -4.194  -1.579  -1.579
   70   2HZ   LYS   7          2HZ       LYS   7  -5.209  -1.018  -1.018
   71    H    ASP   8           H        ASP   8  -3.305   5.293   5.293
   72    HA   ASP   8           HA       ASP   8  -1.209   4.794   4.794
   73   1HB   ASP   8          1HB       ASP   8   0.217   6.517   6.517
   74   2HB   ASP   8          2HB       ASP   8  -1.157   7.027   7.027
   75    HD2  ASP   8           HD2      ASP   8  -0.891   7.475   7.475
   76    H    TYR   9           H        TYR   9   0.425   3.299   3.299
   77    HA   TYR   9           HA       TYR   9   2.204   2.192   2.192
   78   1HB   TYR   9          2HB       TYR   9   2.105   3.065   3.065
   79   2HB   TYR   9          1HB       TYR   9   3.458   2.410   2.410
   80    HD1  TYR   9           HD1      TYR   9   4.490   3.902   3.902
   81    HD2  TYR   9           HD2      TYR   9   1.732   5.512   5.512
   82    HE1  TYR   9           HE1      TYR   9   5.469   6.137   6.137
   83    HE2  TYR   9           HE2      TYR   9   2.672   7.736   7.736
   84    HH   TYR   9           HH       TYR   9   4.248   8.945   8.945
   85    H    GLY  10           H        GLY  10  -0.143   1.052   1.052
   86   1HA   GLY  10          1HA       GLY  10  -1.104  -0.546  -0.546
   87   2HA   GLY  10          2HA       GLY  10  -1.826  -0.611  -0.611
   88    H    ARG  11           H        ARG  11  -0.492  -2.594  -2.594
   89    HA   ARG  11           HA       ARG  11   1.976  -3.476  -3.476
   90   1HB   ARG  11          1HB       ARG  11   1.279  -3.380  -3.380
   91   2HB   ARG  11          2HB       ARG  11   0.870  -5.038  -5.038
   92   1HG   ARG  11          1HG       ARG  11   3.100  -5.162  -5.162
   93   2HG   ARG  11          2HG       ARG  11   3.293  -5.288  -5.288
   94   1HD   ARG  11          1HD       ARG  11   3.756  -2.724  -2.724
   95   2HD   ARG  11          2HD       ARG  11   3.652  -2.718  -2.718
   96   1HH1  ARG  11          2HH2      ARG  11   5.496  -1.572  -1.572
   97   2HH1  ARG  11          1HH2      ARG  11   7.327  -1.628  -1.628
   98   1HH2  ARG  11          1HH1      ARG  11   7.548  -4.673  -4.673
   99   2HH2  ARG  11          2HH1      ARG  11   8.412  -3.274  -3.274
  100    H    CYS  12           H        CYS  12   0.670  -3.738  -3.738
  101    HA   CYS  12           HA       CYS  12  -1.231  -5.616  -5.616
  102   1HB   CYS  12          2HB       CYS  12  -1.007  -4.613  -4.613
  103   2HB   CYS  12          1HB       CYS  12  -0.725  -3.428  -3.428
  104    H    LYS  13           H        LYS  13  -0.726  -6.742  -6.742
  105    HA   LYS  13           HA       LYS  13   0.634  -7.978  -7.978
  106   1HB   LYS  13          1HB       LYS  13   2.642  -8.041  -8.041
  107   2HB   LYS  13          2HB       LYS  13   2.150  -9.650  -9.650
  108   1HG   LYS  13          1HG       LYS  13   2.828  -8.654  -8.654
  109   2HG   LYS  13          2HG       LYS  13   3.809  -9.717  -9.717
  110   1HD   LYS  13          1HD       LYS  13   1.081 -10.421 -10.421
  111   2HD   LYS  13          2HD       LYS  13   2.626 -10.856 -10.856
  112   1HE   LYS  13          1HE       LYS  13   1.573 -11.872 -11.872
  113   2HE   LYS  13          2HE       LYS  13   1.453 -12.747 -12.747
  114   1HZ   LYS  13          1HZ       LYS  13   3.849 -12.816 -12.816
  115   2HZ   LYS  13          2HZ       LYS  13   3.313 -13.513 -13.513
  116    H    TRP  14           H        TRP  14  -1.088  -8.832  -8.832
  117    HA   TRP  14           HA       TRP  14  -2.829 -10.897 -10.897
  118   1HB   TRP  14          1HB       TRP  14  -3.504  -8.785  -8.785
  119   2HB   TRP  14          2HB       TRP  14  -4.615  -9.652  -9.652
  120    HD1  TRP  14           HD1      TRP  14  -2.508  -6.198  -6.198
  121    HE1  TRP  14           HE1      TRP  14  -2.793  -5.035  -5.035
  122    HE3  TRP  14           HE3      TRP  14  -4.655 -10.141 -10.141
  123    HZ2  TRP  14           HZ2      TRP  14  -3.573  -5.770  -5.770
  124    HZ3  TRP  14           HZ3      TRP  14  -4.899  -9.842  -9.842
  125    HH2  TRP  14           HH2      TRP  14  -4.374  -7.686  -7.686
  126    H    GLY  15           H        GLY  15  -4.076 -11.120 -11.120
  127   1HA   GLY  15          1HA       GLY  15  -2.238 -12.627 -12.627
  128   2HA   GLY  15          2HA       GLY  15  -4.005 -12.577 -12.577
  129    H    GLY  16           H        GLY  16  -1.841  -9.855  -9.855
  130   1HA   GLY  16          1HA       GLY  16  -1.532  -7.798  -7.798
  131   2HA   GLY  16          2HA       GLY  16  -1.878  -7.961  -7.961
  132    H    THR  17           H        THR  17  -2.639  -6.084  -6.084
  133    HA   THR  17           HA       THR  17  -5.554  -5.645  -5.645
  134    HB   THR  17           HB       THR  17  -4.939  -4.632  -4.632
  135    HG1  THR  17           HG1      THR  17  -5.977  -6.518  -6.518
  136   1HG2  THR  17          1HG2      THR  17  -6.841  -3.857  -3.857
  137   2HG2  THR  17          2HG2      THR  17  -7.556  -5.457  -5.457
  138   3HG2  THR  17          3HG2      THR  17  -7.307  -4.716  -4.716
  139    HA   PRO  18           HA       PRO  18  -3.305  -2.016  -2.016
  140   1HB   PRO  18          1HB       PRO  18  -5.327  -0.074  -0.074
  141   2HB   PRO  18          2HB       PRO  18  -5.230  -1.442  -1.442
  142   1HG   PRO  18          1HG       PRO  18  -6.718  -1.401  -1.401
  143   2HG   PRO  18          2HG       PRO  18  -7.508  -1.650  -1.650
  144   1HD   PRO  18          1HD       PRO  18  -6.842  -3.817  -3.817
  145   2HD   PRO  18          2HD       PRO  18  -6.195  -3.756  -3.756
  146    H    CYS  19           H        CYS  19  -5.146  -1.580  -1.580
  147    HA   CYS  19           HA       CYS  19  -4.993  -0.415  -0.415
  148   1HB   CYS  19          1HB       CYS  19  -2.632  -0.575  -0.575
  149   2HB   CYS  19          2HB       CYS  19  -2.336   0.882   0.882
  150    H    CYS  20           H        CYS  20  -5.626   1.558   1.558
  151    HA   CYS  20           HA       CYS  20  -7.246   2.633   2.633
  152   1HB   CYS  20          1HB       CYS  20  -8.061   2.179   2.179
  153   2HB   CYS  20          2HB       CYS  20  -8.377   3.835   3.835
  154    H    ARG  21           H        ARG  21  -7.959   4.782   4.782
  155    HA   ARG  21           HA       ARG  21  -7.571   6.991   6.991
  156   1HB   ARG  21          1HB       ARG  21  -6.078   7.354   7.354
  157   2HB   ARG  21          2HB       ARG  21  -6.927   8.563   8.563
  158   1HG   ARG  21          1HG       ARG  21  -9.101   7.112   7.112
  159   2HG   ARG  21          2HG       ARG  21  -8.144   6.210   6.210
  160   1HD   ARG  21          1HD       ARG  21  -7.706   8.294   8.294
  161   2HD   ARG  21          2HD       ARG  21  -8.522   9.273   9.273
  162   1HH1  ARG  21          2HH2      ARG  21  -8.251   6.395   6.395
  163   2HH1  ARG  21          1HH2      ARG  21  -9.511   5.726   5.726
  164   1HH2  ARG  21          1HH1      ARG  21 -11.992   7.822   7.822
  165   2HH2  ARG  21          2HH1      ARG  21 -11.484   6.481   6.481
  166    H    GLY  22           H        GLY  22  -6.202   5.962   5.962
  167   1HA   GLY  22          1HA       GLY  22  -4.409   6.214   6.214
  168   2HA   GLY  22          2HA       GLY  22  -3.888   7.620   7.620
  169    H    ARG  23           H        ARG  23  -3.807   4.024   4.024
  170    HA   ARG  23           HA       ARG  23  -0.907   4.088   4.088
  171   1HB   ARG  23          1HB       ARG  23  -2.835   4.056   4.056
  172   2HB   ARG  23          2HB       ARG  23  -2.610   2.378   2.378
  173   1HG   ARG  23          1HG       ARG  23  -0.894   2.502   2.502
  174   2HG   ARG  23          2HG       ARG  23   0.068   3.146   3.146
  175   1HD   ARG  23          1HD       ARG  23  -1.486   4.745   4.745
  176   2HD   ARG  23          2HD       ARG  23   0.228   4.421   4.421
  177   1HH1  ARG  23          2HH2      ARG  23   1.906   4.832   4.832
  178   2HH1  ARG  23          1HH2      ARG  23   2.791   6.184   6.184
  179   1HH2  ARG  23          1HH1      ARG  23  -0.089   7.945   7.945
  180   2HH2  ARG  23          2HH1      ARG  23   1.736   7.827   7.827
  181    H    GLY  24           H        GLY  24   0.010   2.056   2.056
  182   1HA   GLY  24          1HA       GLY  24  -1.094  -0.413  -0.413
  183   2HA   GLY  24          2HA       GLY  24   0.384   0.074   0.074
  184    H    CYS  25           H        CYS  25  -0.708  -1.458  -1.458
  185    HA   CYS  25           HA       CYS  25   0.522  -0.798  -0.798
  186   1HB   CYS  25          1HB       CYS  25  -1.098  -2.673  -2.673
  187   2HB   CYS  25          2HB       CYS  25   0.082  -3.830  -3.830
  188    H    ILE  26           H        ILE  26   1.947  -3.371  -3.371
  189    HA   ILE  26           HA       ILE  26   4.207  -4.124  -4.124
  190    HB   ILE  26           HB       ILE  26   4.925  -1.162  -1.162
  191   1HG1  ILE  26          1HG1      ILE  26   4.307  -3.035  -3.035
  192   2HG1  ILE  26          2HG1      ILE  26   3.194  -1.864  -1.864
  193   1HG2  ILE  26          3HG2      ILE  26   6.635  -3.571  -3.571
  194   2HG2  ILE  26          1HG2      ILE  26   7.033  -1.902  -1.902
  195   3HG2  ILE  26          2HG2      ILE  26   6.968  -2.291  -2.291
  196   1HD1  ILE  26          2HD1      ILE  26   4.684   0.057   0.057
  197   2HD1  ILE  26          3HD1      ILE  26   5.814  -1.079  -1.079
  198   3HD1  ILE  26          1HD1      ILE  26   4.153  -0.896  -0.896
  199    H    CYS  27           H        CYS  27   6.214  -4.418  -4.418
  200    HA   CYS  27           HA       CYS  27   5.868  -4.776  -4.776
  201   1HB   CYS  27          1HB       CYS  27   7.552  -6.395  -6.395
  202   2HB   CYS  27          2HB       CYS  27   7.493  -6.716  -6.716
  203    H    SER  28           H        SER  28   7.860  -5.403  -5.403
  204    HA   SER  28           HA       SER  28   9.575  -2.956  -2.956
  205   1HB   SER  28          1HB       SER  28   8.291  -5.295  -5.295
  206   2HB   SER  28          2HB       SER  28   9.451  -4.288  -4.288
  207    HG   SER  28           HG       SER  28   7.411  -3.501  -3.501
  208    H    ILE  29           H        ILE  29  11.024  -4.779  -4.779
  209    HA   ILE  29           HA       ILE  29  12.904  -6.164  -6.164
  210    HB   ILE  29           HB       ILE  29  14.705  -6.176  -6.176
  211   1HG1  ILE  29          1HG1      ILE  29  14.850  -4.192  -4.192
  212   2HG1  ILE  29          2HG1      ILE  29  13.189  -3.750  -3.750
  213   1HG2  ILE  29          2HG2      ILE  29  14.792  -4.944  -4.944
  214   2HG2  ILE  29          3HG2      ILE  29  13.917  -3.570  -3.570
  215   3HG2  ILE  29          1HG2      ILE  29  15.555  -3.998  -3.998
  216   1HD1  ILE  29          3HD1      ILE  29  14.083  -6.339  -6.339
  217   2HD1  ILE  29          1HD1      ILE  29  13.429  -4.876  -4.876
  218   3HD1  ILE  29          2HD1      ILE  29  12.387  -5.851  -5.851
  219    H    MET  30           H        MET  30  10.946  -7.332  -7.332
  220    HA   MET  30           HA       MET  30  11.752 -10.015 -10.015
  221   1HB   MET  30          1HB       MET  30  10.451  -9.067  -9.067
  222   2HB   MET  30          2HB       MET  30   9.004  -9.264  -9.264
  223   1HG   MET  30          1HG       MET  30   9.519 -11.752 -11.752
  224   2HG   MET  30          2HG       MET  30  11.018 -11.509 -11.509
  225   1HE   MET  30          3HE       MET  30  10.165 -13.401 -13.401
  226   2HE   MET  30          2HE       MET  30   8.597 -13.307 -13.307
  227   3HE   MET  30          1HE       MET  30   8.632 -13.567 -13.567
  228    H    GLY  31           H        GLY  31   8.977  -8.205  -8.205
  229   1HA   GLY  31          1HA       GLY  31   7.621  -8.845  -8.845
  230   2HA   GLY  31          2HA       GLY  31   8.455 -10.369 -10.369
  231    H    THR  32           H        THR  32   6.883  -8.941  -8.941
  232    HA   THR  32           HA       THR  32   4.594 -10.781 -10.781
  233    HB   THR  32           HB       THR  32   7.164 -11.320 -11.320
  234    HG1  THR  32           HG1      THR  32   5.380 -13.011 -13.011
  235   1HG2  THR  32          2HG2      THR  32   4.477 -12.531 -12.531
  236   2HG2  THR  32          3HG2      THR  32   6.098 -13.060 -13.060
  237   3HG2  THR  32          1HG2      THR  32   5.517 -11.443 -11.443
  238    H    ASN  33           H        ASN  33   6.627  -8.965  -8.965
  239    HA   ASN  33           HA       ASN  33   4.768  -7.710  -7.710
  240   1HB   ASN  33          2HB       ASN  33   7.747  -7.836  -7.836
  241   2HB   ASN  33          1HB       ASN  33   7.325  -6.724  -6.724
  242   1HD2  ASN  33          1HD2      ASN  33   8.442  -9.305  -9.305
  243   2HD2  ASN  33          2HD2      ASN  33   8.986  -7.902  -7.902
  244    H    CYS  34           H        CYS  34   4.493  -7.172  -7.172
  245    HA   CYS  34           HA       CYS  34   5.683  -4.889  -4.889
  246   1HB   CYS  34          1HB       CYS  34   2.942  -5.902  -5.902
  247   2HB   CYS  34          2HB       CYS  34   3.951  -4.951  -4.951
  248    H    GLU  35           H        GLU  35   3.719  -2.979  -2.979
  249    HA   GLU  35           HA       GLU  35   2.578  -1.603  -1.603
  250   1HB   GLU  35          1HB       GLU  35   4.018   0.414   0.414
  251   2HB   GLU  35          2HB       GLU  35   4.772  -1.036  -1.036
  252   1HG   GLU  35          1HG       GLU  35   6.171  -1.263  -1.263
  253   2HG   GLU  35          2HG       GLU  35   5.377   0.134   0.134
  254    HE2  GLU  35           HE2      GLU  35   8.280   0.536   0.536
  255    H    CYS  36           H        CYS  36   1.210   0.173   0.173
  256    HA   CYS  36           HA       CYS  36   0.390   0.232   0.232
  257   1HB   CYS  36          1HB       CYS  36  -0.317   2.051   2.051
  258   2HB   CYS  36          2HB       CYS  36  -0.800   2.474   2.474
  259    H    LYS  37           H        LYS  37   1.856   2.049   2.049
  260    HA   LYS  37           HA       LYS  37   3.634   3.816   3.816
  261   1HB   LYS  37          1HB       LYS  37   3.562   3.476   3.476
  262   2HB   LYS  37          2HB       LYS  37   4.318   4.883   4.883
  263   1HG   LYS  37          1HG       LYS  37   5.969   3.703   3.703
  264   2HG   LYS  37          2HG       LYS  37   5.140   2.167   2.167
  265   1HD   LYS  37          1HD       LYS  37   6.265   3.638   3.638
  266   2HD   LYS  37          2HD       LYS  37   7.241   2.556   2.556
  267   1HE   LYS  37          1HE       LYS  37   4.626   1.666   1.666
  268   2HE   LYS  37          2HE       LYS  37   6.235   1.511   1.511
  269   1HZ   LYS  37          1HZ       LYS  37   5.317   0.225   0.225
  270   2HZ   LYS  37          2HZ       LYS  37   5.544  -0.512  -0.512
  271    HA   PRO  38           HA       PRO  38   1.039   6.950   6.950
  272   1HB   PRO  38          1HB       PRO  38   2.095   9.518   9.518
  273   2HB   PRO  38          2HB       PRO  38   2.644   8.352   8.352
  274   1HG   PRO  38          1HG       PRO  38   3.845   8.967   8.967
  275   2HG   PRO  38          2HG       PRO  38   4.689   8.585   8.585
  276   1HD   PRO  38          1HD       PRO  38   4.222   6.800   6.800
  277   2HD   PRO  38          2HD       PRO  38   4.556   6.245   6.245
  278    H    ARG  39           H        ARG  39  -0.907   7.083   7.083
  279    HA   ARG  39           HA       ARG  39  -1.619   8.274   8.274
  280   1HB   ARG  39          1HB       ARG  39  -3.947   7.718   7.718
  281   2HB   ARG  39          2HB       ARG  39  -2.935   6.312   6.312
  282   1HG   ARG  39          1HG       ARG  39  -2.988   6.559   6.559
  283   2HG   ARG  39          2HG       ARG  39  -3.848   8.091   8.091
  284   1HD   ARG  39          1HD       ARG  39  -5.837   6.892   6.892
  285   2HD   ARG  39          2HD       ARG  39  -4.967   5.368   5.368
  286   1HH1  ARG  39          2HH2      ARG  39  -6.241   8.530   8.530
  287   2HH1  ARG  39          1HH2      ARG  39  -7.011   8.895   8.895
  288   1HH2  ARG  39          1HH1      ARG  39  -6.281   5.789   5.789
  289   2HH2  ARG  39          2HH1      ARG  39  -7.032   7.445   7.445
  290    H    LEU  40           H        LEU  40  -3.049   9.971   9.971
  291    HA   LEU  40           HA       LEU  40  -1.976  12.245  12.245
  292   1HB   LEU  40          1HB       LEU  40  -2.301  12.287  12.287
  293   2HB   LEU  40          2HB       LEU  40  -4.031  12.499  12.499
  294    HG   LEU  40           HG       LEU  40  -2.305  14.374  14.374
  295   1HD1  LEU  40          2HD1      LEU  40  -0.917  14.310  14.310
  296   2HD1  LEU  40          3HD1      LEU  40  -2.338  14.686  14.686
  297   3HD1  LEU  40          1HD1      LEU  40  -1.714  15.887  15.887
  298   1HD2  LEU  40          1HD2      LEU  40  -4.785  14.711  14.711
  299   2HD2  LEU  40          2HD2      LEU  40  -3.927  16.122  16.122
  300   3HD2  LEU  40          3HD2      LEU  40  -4.710  14.984  14.984
  301    H    ILE  41           H        ILE  41  -2.573  12.480  12.480
  302    HA   ILE  41           HA       ILE  41  -5.067  13.858  13.858
  303    HB   ILE  41           HB       ILE  41  -5.759  11.469  11.469
  304   1HG1  ILE  41          1HG1      ILE  41  -5.869  13.138  13.138
  305   2HG1  ILE  41          2HG1      ILE  41  -6.817  13.474  13.474
  306   1HG2  ILE  41          1HG2      ILE  41  -3.615  10.497  10.497
  307   2HG2  ILE  41          2HG2      ILE  41  -3.798  11.420  11.420
  308   3HG2  ILE  41          3HG2      ILE  41  -4.973  10.162  10.162
  309   1HD1  ILE  41          1HD1      ILE  41  -7.913  11.185  11.185
  310   2HD1  ILE  41          2HD1      ILE  41  -7.023  10.901  10.901
  311   3HD1  ILE  41          3HD1      ILE  41  -8.202  12.224  12.224
  312    H    MET  42           H        MET  42  -2.607  14.757  14.757
  313    HA   MET  42           HA       MET  42  -1.760  16.268  16.268
  314   1HB   MET  42          1HB       MET  42  -1.053  14.011  14.011
  315   2HB   MET  42          2HB       MET  42  -0.028  13.741  13.741
  316   1HG   MET  42          1HG       MET  42   1.292  14.426  14.426
  317   2HG   MET  42          2HG       MET  42   1.427  15.694  15.694
  318   1HE   MET  42          1HE       MET  42   2.066  15.951  15.951
  319   2HE   MET  42          3HE       MET  42   2.345  17.281  17.281
  320   3HE   MET  42          2HE       MET  42   1.408  17.581  17.581
  321    H    GLU  43           H        GLU  43  -0.265  14.480  14.480
  322    HA   GLU  43           HA       GLU  43   1.774  16.233  16.233
  323   1HB   GLU  43          1HB       GLU  43   0.128  14.031  14.031
  324   2HB   GLU  43          2HB       GLU  43   1.570  14.655  14.655
  325   1HG   GLU  43          1HG       GLU  43   2.929  13.822  13.822
  326   2HG   GLU  43          2HG       GLU  43   1.479  13.264  13.264
  327    HE1  GLU  43           HE2      GLU  43   0.865  10.541  10.541
  328    H    GLY  44           H        GLY  44  -0.966  17.120  17.120
  329   1HA   GLY  44          1HA       GLY  44  -0.323  19.537  19.537
  330   2HA   GLY  44          2HA       GLY  44  -0.814  18.502  18.502
  331    H    LEU  45           H        LEU  45  -1.941  19.777  19.777
  332    HA   LEU  45           HA       LEU  45  -4.514  20.637  20.637
  333   1HB   LEU  45          1HB       LEU  45  -5.959  19.709  19.709
  334   2HB   LEU  45          2HB       LEU  45  -5.558  18.740  18.740
  335    HG   LEU  45           HG       LEU  45  -3.897  17.411  17.411
  336   1HD1  LEU  45          1HD2      LEU  45  -4.773  19.006  19.006
  337   2HD1  LEU  45          2HD2      LEU  45  -3.820  17.502  17.502
  338   3HD1  LEU  45          3HD2      LEU  45  -3.139  18.960  18.960
  339   1HD2  LEU  45          1HD1      LEU  45  -6.257  16.638  16.638
  340   2HD2  LEU  45          2HD1      LEU  45  -5.567  16.140  16.140
  341   3HD2  LEU  45          3HD1      LEU  45  -6.699  17.511  17.511
  342    H    GLY  46           H        GLY  46  -3.470  22.578  22.578
  343   1HA   GLY  46          1HA       GLY  46  -4.085  24.375  24.375
  344   2HA   GLY  46          2HA       GLY  46  -2.620  23.597  23.597
  345    H    LEU  47           H        LEU  47  -0.739  23.585  23.585
  346    HA   LEU  47           HA       LEU  47  -0.345  26.286  26.286
  347   1HB   LEU  47          1HB       LEU  47   1.663  24.020  24.020
  348   2HB   LEU  47          2HB       LEU  47   2.064  25.533  25.533
  349    HG   LEU  47           HG       LEU  47   1.019  25.347  25.347
  350   1HD1  LEU  47          3HD1      LEU  47   3.223  24.194  24.194
  351   2HD1  LEU  47          1HD1      LEU  47   3.932  25.639  25.639
  352   3HD1  LEU  47          2HD1      LEU  47   3.383  25.693  25.693
  353   1HD2  LEU  47          2HD2      LEU  47   2.322  27.729  27.729
  354   2HD2  LEU  47          3HD2      LEU  47   0.615  27.617  27.617
  355   3HD2  LEU  47          1HD2      LEU  47   1.886  27.696  27.696
  356    H    ALA  48           H        ALA  48   0.071  22.845  22.845
  357    HA   ALA  48           HA       ALA  48   0.059  23.607  23.607
  358   1HB   ALA  48          2HB       ALA  48   1.653  21.839  21.839
  359   2HB   ALA  48          3HB       ALA  48   0.311  20.817  20.817
  360   3HB   ALA  48          1HB       ALA  48   0.476  21.196  21.196
  361    HXT  ALA  48           HO        OH  49  -3.271  21.554  21.554

  Start of MODEL   13
    1   1H    LYS   1          2H        LYS   1  -9.615  -9.039  -9.039
    2   2H    LYS   1          3H        LYS   1  -8.762  -8.216  -8.216
    3   3H    LYS   1          1H        LYS   1  -8.048  -9.451  -9.451
    4    HA   LYS   1           HA       LYS   1  -9.547 -11.070 -11.070
    5   1HB   LYS   1          1HB       LYS   1  -7.323 -10.607 -10.607
    6   2HB   LYS   1          2HB       LYS   1  -8.049  -9.404  -9.404
    7   1HG   LYS   1          1HG       LYS   1  -9.539 -11.283 -11.283
    8   2HG   LYS   1          2HG       LYS   1  -8.716 -12.418 -12.418
    9   1HD   LYS   1          1HD       LYS   1  -7.680 -12.668 -12.668
   10   2HD   LYS   1          2HD       LYS   1  -6.497 -11.816 -11.816
   11   1HE   LYS   1          1HE       LYS   1  -7.189  -9.616  -9.616
   12   2HE   LYS   1          2HE       LYS   1  -8.392 -10.485 -10.485
   13   1HZ   LYS   1          1HZ       LYS   1  -6.324 -10.122 -10.122
   14   2HZ   LYS   1          2HZ       LYS   1  -5.460 -10.942 -10.942
   15    H    LYS   2           H        LYS   2  -9.888  -8.316  -8.316
   16    HA   LYS   2           HA       LYS   2 -12.832  -9.019  -9.019
   17   1HB   LYS   2          1HB       LYS   2 -11.299  -9.043  -9.043
   18   2HB   LYS   2          2HB       LYS   2 -11.049  -7.308  -7.308
   19   1HG   LYS   2          1HG       LYS   2 -13.562  -6.973  -6.973
   20   2HG   LYS   2          2HG       LYS   2 -13.769  -8.703  -8.703
   21   1HD   LYS   2          1HD       LYS   2 -12.045  -6.905  -6.905
   22   2HD   LYS   2          2HD       LYS   2 -13.725  -7.306  -7.306
   23   1HE   LYS   2          1HE       LYS   2 -12.633  -8.799  -8.799
   24   2HE   LYS   2          2HE       LYS   2 -13.082  -9.818  -9.818
   25   1HZ   LYS   2          1HZ       LYS   2 -10.802  -9.601  -9.601
   26   2HZ   LYS   2          2HZ       LYS   2 -10.847 -10.248 -10.248
   27    H    LYS   3           H        LYS   3 -11.666  -5.725  -5.725
   28    HA   LYS   3           HA       LYS   3 -12.455  -4.729  -4.729
   29   1HB   LYS   3          1HB       LYS   3 -14.735  -4.946  -4.946
   30   2HB   LYS   3          2HB       LYS   3 -14.206  -3.811  -3.811
   31   1HG   LYS   3          1HG       LYS   3 -15.577  -2.614  -2.614
   32   2HG   LYS   3          2HG       LYS   3 -13.944  -2.024  -2.024
   33   1HD   LYS   3          1HD       LYS   3 -13.730  -3.505  -3.505
   34   2HD   LYS   3          2HD       LYS   3 -15.346  -4.142  -4.142
   35   1HE   LYS   3          1HE       LYS   3 -14.697  -1.157  -1.157
   36   2HE   LYS   3          2HE       LYS   3 -15.138  -2.325  -2.325
   37   1HZ   LYS   3          1HZ       LYS   3 -17.268  -2.637  -2.637
   38   2HZ   LYS   3          2HZ       LYS   3 -17.032  -1.059  -1.059
   39    H    CYS   4           H        CYS   4 -10.269  -4.324  -4.324
   40    HA   CYS   4           HA       CYS   4  -8.325  -3.037  -3.037
   41   1HB   CYS   4          1HB       CYS   4  -8.578  -0.807  -0.807
   42   2HB   CYS   4          2HB       CYS   4  -9.699  -1.786  -1.786
   43    H    ILE   5           H        ILE   5  -7.266  -1.061  -1.061
   44    HA   ILE   5           HA       ILE   5  -7.567  -0.903  -0.903
   45    HB   ILE   5           HB       ILE   5  -4.883  -0.764  -0.764
   46   1HG1  ILE   5          1HG1      ILE   5  -6.328  -3.364  -3.364
   47   2HG1  ILE   5          2HG1      ILE   5  -5.633  -2.832  -2.832
   48   1HG2  ILE   5          3HG2      ILE   5  -5.087  -0.042  -0.042
   49   2HG2  ILE   5          1HG2      ILE   5  -5.640  -1.693  -1.693
   50   3HG2  ILE   5          2HG2      ILE   5  -3.984  -1.419  -1.419
   51   1HD1  ILE   5          1HD1      ILE   5  -3.280  -2.984  -2.984
   52   2HD1  ILE   5          2HD1      ILE   5  -3.993  -3.728  -3.728
   53   3HD1  ILE   5          3HD1      ILE   5  -4.133  -4.538  -4.538
   54    H    ALA   6           H        ALA   6  -7.927   1.229   1.229
   55    HA   ALA   6           HA       ALA   6  -7.485   3.390   3.390
   56   1HB   ALA   6          2HB       ALA   6  -9.551   3.282   3.282
   57   2HB   ALA   6          3HB       ALA   6  -8.686   3.624   3.624
   58   3HB   ALA   6          1HB       ALA   6  -8.740   4.839   4.839
   59    H    LYS   7           H        LYS   7  -5.066   2.201   2.201
   60    HA   LYS   7           HA       LYS   7  -2.935   2.799   2.799
   61   1HB   LYS   7          1HB       LYS   7  -3.681   4.990   4.990
   62   2HB   LYS   7          2HB       LYS   7  -2.082   4.310   4.310
   63   1HG   LYS   7          1HG       LYS   7  -3.023   2.005   2.005
   64   2HG   LYS   7          2HG       LYS   7  -4.363   2.875   2.875
   65   1HD   LYS   7          1HD       LYS   7  -1.388   3.510   3.510
   66   2HD   LYS   7          2HD       LYS   7  -2.262   2.385   2.385
   67   1HE   LYS   7          1HE       LYS   7  -3.013   5.394   5.394
   68   2HE   LYS   7          2HE       LYS   7  -2.004   4.769   4.769
   69   1HZ   LYS   7          1HZ       LYS   7  -3.830   3.387   3.387
   70   2HZ   LYS   7          2HZ       LYS   7  -4.265   4.963   4.963
   71    H    ASP   8           H        ASP   8  -2.227   5.244   5.244
   72    HA   ASP   8           HA       ASP   8  -0.316   5.789   5.789
   73   1HB   ASP   8          1HB       ASP   8  -0.667   7.511   7.511
   74   2HB   ASP   8          2HB       ASP   8   0.053   7.563   7.563
   75    HD1  ASP   8           HD2      ASP   8  -2.434   9.225   9.225
   76    H    TYR   9           H        TYR   9   0.554   3.808   3.808
   77    HA   TYR   9           HA       TYR   9   1.964   2.527   2.527
   78   1HB   TYR   9          2HB       TYR   9   1.431   3.058   3.058
   79   2HB   TYR   9          1HB       TYR   9   2.628   1.988   1.988
   80    HD1  TYR   9           HD1      TYR   9   4.483   3.077   3.077
   81    HD2  TYR   9           HD2      TYR   9   2.031   5.440   5.440
   82    HE1  TYR   9           HE1      TYR   9   6.095   4.917   4.917
   83    HE2  TYR   9           HE2      TYR   9   3.611   7.279   7.279
   84    HH   TYR   9           HH       TYR   9   6.594   6.984   6.984
   85    H    GLY  10           H        GLY  10  -0.005   1.915   1.915
   86   1HA   GLY  10          1HA       GLY  10  -2.351   0.576   0.576
   87   2HA   GLY  10          2HA       GLY  10  -1.753   0.461   0.461
   88    H    ARG  11           H        ARG  11  -2.025  -2.136  -2.136
   89    HA   ARG  11           HA       ARG  11   0.315  -3.377  -3.377
   90   1HB   ARG  11          1HB       ARG  11  -1.213  -3.060  -3.060
   91   2HB   ARG  11          2HB       ARG  11  -2.495  -3.933  -3.933
   92   1HG   ARG  11          1HG       ARG  11  -1.452  -5.346  -5.346
   93   2HG   ARG  11          2HG       ARG  11  -1.172  -6.049  -6.049
   94   1HD   ARG  11          1HD       ARG  11   1.183  -5.259  -5.259
   95   2HD   ARG  11          2HD       ARG  11   0.934  -4.320  -4.320
   96   1HH1  ARG  11          2HH2      ARG  11   2.997  -5.010  -5.010
   97   2HH1  ARG  11          1HH2      ARG  11   3.861  -6.224  -6.224
   98   1HH2  ARG  11          1HH1      ARG  11   1.261  -8.489  -8.489
   99   2HH2  ARG  11          2HH1      ARG  11   2.938  -8.070  -8.070
  100    H    CYS  12           H        CYS  12   0.354  -3.456  -3.456
  101    HA   CYS  12           HA       CYS  12  -1.658  -4.850  -4.850
  102   1HB   CYS  12          2HB       CYS  12  -0.431  -3.926  -3.926
  103   2HB   CYS  12          1HB       CYS  12  -0.816  -2.790  -2.790
  104    H    LYS  13           H        LYS  13  -0.895  -6.106  -6.106
  105    HA   LYS  13           HA       LYS  13   1.442  -7.769  -7.769
  106   1HB   LYS  13          1HB       LYS  13  -0.003  -9.023  -9.023
  107   2HB   LYS  13          2HB       LYS  13  -1.112  -9.487  -9.487
  108   1HG   LYS  13          1HG       LYS  13   1.894 -10.095 -10.095
  109   2HG   LYS  13          2HG       LYS  13   0.923 -11.033 -11.033
  110   1HD   LYS  13          1HD       LYS  13  -0.580 -11.817 -11.817
  111   2HD   LYS  13          2HD       LYS  13   0.236 -10.801 -10.801
  112   1HE   LYS  13          1HE       LYS  13   2.393 -12.091 -12.091
  113   2HE   LYS  13          2HE       LYS  13   1.581 -13.124 -13.124
  114   1HZ   LYS  13          1HZ       LYS  13   0.780 -12.839 -12.839
  115   2HZ   LYS  13          2HZ       LYS  13   0.027 -13.794 -13.794
  116    H    TRP  14           H        TRP  14   1.712  -8.224  -8.224
  117    HA   TRP  14           HA       TRP  14  -0.459  -7.616  -7.616
  118   1HB   TRP  14          1HB       TRP  14   2.578  -7.735  -7.735
  119   2HB   TRP  14          2HB       TRP  14   1.644  -8.208  -8.208
  120    HD1  TRP  14           HD1      TRP  14   1.968  -4.997  -4.997
  121    HE1  TRP  14           HE1      TRP  14   1.014  -2.886  -2.886
  122    HE3  TRP  14           HE3      TRP  14   0.172  -7.417  -7.417
  123    HZ2  TRP  14           HZ2      TRP  14  -0.444  -2.478  -2.478
  124    HZ3  TRP  14           HZ3      TRP  14  -1.098  -6.107  -6.107
  125    HH2  TRP  14           HH2      TRP  14  -1.407  -3.679  -3.679
  126    H    GLY  15           H        GLY  15  -1.759  -9.101  -9.101
  127   1HA   GLY  15          1HA       GLY  15  -2.480 -11.488 -11.488
  128   2HA   GLY  15          2HA       GLY  15  -1.083 -12.098 -12.098
  129    H    GLY  16           H        GLY  16  -3.128  -9.428  -9.428
  130   1HA   GLY  16          2HA       GLY  16  -4.629 -10.877 -10.877
  131   2HA   GLY  16          1HA       GLY  16  -3.337  -9.746  -9.746
  132    H    THR  17           H        THR  17  -4.925  -8.608  -8.608
  133    HA   THR  17           HA       THR  17  -7.051  -7.146  -7.146
  134    HB   THR  17           HB       THR  17  -6.078  -5.372  -5.372
  135    HG1  THR  17           HG1      THR  17  -6.901  -6.758  -6.758
  136   1HG2  THR  17          2HG2      THR  17  -8.834  -6.449  -6.449
  137   2HG2  THR  17          3HG2      THR  17  -8.377  -5.214  -5.214
  138   3HG2  THR  17          1HG2      THR  17  -8.067  -4.943  -4.943
  139    HA   PRO  18           HA       PRO  18  -4.326  -4.706  -4.706
  140   1HB   PRO  18          1HB       PRO  18  -6.049  -2.730  -2.730
  141   2HB   PRO  18          2HB       PRO  18  -6.168  -4.446  -4.446
  142   1HG   PRO  18          1HG       PRO  18  -7.582  -3.033  -3.033
  143   2HG   PRO  18          2HG       PRO  18  -8.429  -3.811  -3.811
  144   1HD   PRO  18          1HD       PRO  18  -8.035  -5.328  -5.328
  145   2HD   PRO  18          2HD       PRO  18  -7.395  -6.042  -6.042
  146    H    CYS  19           H        CYS  19  -5.956  -2.847  -2.847
  147    HA   CYS  19           HA       CYS  19  -5.425  -0.851  -0.851
  148   1HB   CYS  19          1HB       CYS  19  -3.098  -0.146  -0.146
  149   2HB   CYS  19          2HB       CYS  19  -3.760   0.866   0.866
  150    H    CYS  20           H        CYS  20  -6.169   1.194   1.194
  151    HA   CYS  20           HA       CYS  20  -8.330   0.820   0.820
  152   1HB   CYS  20          1HB       CYS  20  -8.497   1.483   1.483
  153   2HB   CYS  20          2HB       CYS  20  -8.750   3.015   3.015
  154    H    ARG  21           H        ARG  21  -6.744   3.946   3.946
  155    HA   ARG  21           HA       ARG  21  -7.879   4.997   4.997
  156   1HB   ARG  21          1HB       ARG  21  -7.109   6.609   6.609
  157   2HB   ARG  21          2HB       ARG  21  -7.914   7.190   7.190
  158   1HG   ARG  21          1HG       ARG  21  -9.880   5.542   5.542
  159   2HG   ARG  21          2HG       ARG  21  -9.055   5.232   5.232
  160   1HD   ARG  21          1HD       ARG  21 -10.713   6.869   6.869
  161   2HD   ARG  21          2HD       ARG  21  -9.157   7.698   7.698
  162   1HH1  ARG  21          2HH2      ARG  21 -10.822   9.170   9.170
  163   2HH1  ARG  21          1HH2      ARG  21 -11.586  10.717  10.717
  164   1HH2  ARG  21          1HH1      ARG  21 -11.167   9.854   9.854
  165   2HH2  ARG  21          2HH1      ARG  21 -11.767  11.075  11.075
  166    H    GLY  22           H        GLY  22  -5.804   3.834   3.834
  167   1HA   GLY  22          1HA       GLY  22  -4.005   4.397   4.397
  168   2HA   GLY  22          2HA       GLY  22  -3.976   6.044   6.044
  169    H    ARG  23           H        ARG  23  -2.727   2.834   2.834
  170    HA   ARG  23           HA       ARG  23  -1.233   3.577   3.577
  171   1HB   ARG  23          1HB       ARG  23  -1.232   1.316   1.316
  172   2HB   ARG  23          2HB       ARG  23  -2.839   1.731   1.731
  173   1HG   ARG  23          1HG       ARG  23  -0.896   0.259   0.259
  174   2HG   ARG  23          2HG       ARG  23  -1.739  -0.578  -0.578
  175   1HD   ARG  23          1HD       ARG  23  -3.976   0.280   0.280
  176   2HD   ARG  23          2HD       ARG  23  -3.083   0.939   0.939
  177   1HH1  ARG  23          2HH2      ARG  23  -5.312  -0.035  -0.035
  178   2HH1  ARG  23          1HH2      ARG  23  -5.979  -1.445  -1.445
  179   1HH2  ARG  23          1HH1      ARG  23  -3.163  -3.378  -3.378
  180   2HH2  ARG  23          2HH1      ARG  23  -4.843  -3.210  -3.210
  181    H    GLY  24           H        GLY  24   0.611   2.476   2.476
  182   1HA   GLY  24          1HA       GLY  24   2.601   1.543   1.543
  183   2HA   GLY  24          2HA       GLY  24   3.191   2.899   2.899
  184    H    CYS  25           H        CYS  25   2.826  -0.015  -0.015
  185    HA   CYS  25           HA       CYS  25   2.775  -0.679  -0.679
  186   1HB   CYS  25          1HB       CYS  25   0.974  -1.903  -1.903
  187   2HB   CYS  25          2HB       CYS  25   2.044  -2.489  -2.489
  188    H    ILE  26           H        ILE  26   4.865  -0.238  -0.238
  189    HA   ILE  26           HA       ILE  26   7.064  -2.038  -2.038
  190    HB   ILE  26           HB       ILE  26   7.326   0.048   0.048
  191   1HG1  ILE  26          1HG1      ILE  26   7.059   1.361   1.361
  192   2HG1  ILE  26          2HG1      ILE  26   8.776   1.362   1.362
  193   1HG2  ILE  26          3HG2      ILE  26   9.438  -1.812  -1.812
  194   2HG2  ILE  26          1HG2      ILE  26   9.833  -0.288  -0.288
  195   3HG2  ILE  26          2HG2      ILE  26   8.885  -1.556  -1.556
  196   1HD1  ILE  26          2HD1      ILE  26   9.071  -0.397  -0.397
  197   2HD1  ILE  26          3HD1      ILE  26   7.318  -0.280  -0.280
  198   3HD1  ILE  26          1HD1      ILE  26   8.351   1.139   1.139
  199    H    CYS  27           H        CYS  27   7.861  -3.479  -3.479
  200    HA   CYS  27           HA       CYS  27   6.187  -4.455  -4.455
  201   1HB   CYS  27          1HB       CYS  27   7.144  -6.201  -6.201
  202   2HB   CYS  27          2HB       CYS  27   6.183  -6.742  -6.742
  203    H    SER  28           H        SER  28   7.105  -6.879  -6.879
  204    HA   SER  28           HA       SER  28   9.861  -6.738  -6.738
  205   1HB   SER  28          1HB       SER  28   8.783  -5.538  -5.538
  206   2HB   SER  28          2HB       SER  28   7.602  -6.788  -6.788
  207    HG   SER  28           HG       SER  28   9.398  -8.097  -8.097
  208    H    ILE  29           H        ILE  29  10.038  -8.339  -8.339
  209    HA   ILE  29           HA       ILE  29  10.923 -10.746 -10.746
  210    HB   ILE  29           HB       ILE  29   8.373 -10.863 -10.863
  211   1HG1  ILE  29          1HG1      ILE  29  11.177 -10.958 -10.958
  212   2HG1  ILE  29          2HG1      ILE  29  10.697  -9.416  -9.416
  213   1HG2  ILE  29          3HG2      ILE  29  10.621 -12.946 -12.946
  214   2HG2  ILE  29          1HG2      ILE  29   9.529 -12.911 -12.911
  215   3HG2  ILE  29          2HG2      ILE  29   8.870 -13.195 -13.195
  216   1HD1  ILE  29          2HD1      ILE  29   9.030 -10.974 -10.974
  217   2HD1  ILE  29          3HD1      ILE  29  10.108  -9.587  -9.587
  218   3HD1  ILE  29          1HD1      ILE  29   8.645  -9.360  -9.360
  219    H    MET  30           H        MET  30  10.169 -10.111 -10.111
  220    HA   MET  30           HA       MET  30  10.009 -11.116 -11.116
  221   1HB   MET  30          1HB       MET  30  10.644 -13.337 -13.337
  222   2HB   MET  30          2HB       MET  30   8.930 -13.690 -13.690
  223   1HG   MET  30          1HG       MET  30   9.473 -14.791 -14.791
  224   2HG   MET  30          2HG       MET  30   8.999 -13.281 -13.281
  225   1HE   MET  30          3HE       MET  30  10.389 -13.803 -13.803
  226   2HE   MET  30          2HE       MET  30  12.115 -14.271 -14.271
  227   3HE   MET  30          1HE       MET  30  10.892 -15.374 -15.374
  228    H    GLY  31           H        GLY  31   7.990  -9.341  -9.341
  229   1HA   GLY  31          1HA       GLY  31   5.967  -8.492  -8.492
  230   2HA   GLY  31          2HA       GLY  31   5.904  -9.914  -9.914
  231    H    THR  32           H        THR  32   5.664  -9.087  -9.087
  232    HA   THR  32           HA       THR  32   3.181 -10.790 -10.790
  233    HB   THR  32           HB       THR  32   4.283 -11.909 -11.909
  234    HG1  THR  32           HG1      THR  32   6.009 -10.541 -10.541
  235   1HG2  THR  32          2HG2      THR  32   4.075 -13.230 -13.230
  236   2HG2  THR  32          3HG2      THR  32   5.709 -12.669 -12.669
  237   3HG2  THR  32          1HG2      THR  32   5.484 -13.714 -13.714
  238    H    ASN  33           H        ASN  33   5.277  -9.582  -9.582
  239    HA   ASN  33           HA       ASN  33   3.573  -8.106  -8.106
  240   1HB   ASN  33          2HB       ASN  33   6.557  -8.665  -8.665
  241   2HB   ASN  33          1HB       ASN  33   6.312  -7.590  -7.590
  242   1HD2  ASN  33          1HD2      ASN  33   5.367 -10.065 -10.065
  243   2HD2  ASN  33          2HD2      ASN  33   5.256  -8.292  -8.292
  244    H    CYS  34           H        CYS  34   3.746  -7.187  -7.187
  245    HA   CYS  34           HA       CYS  34   5.219  -4.847  -4.847
  246   1HB   CYS  34          1HB       CYS  34   3.745  -6.266  -6.266
  247   2HB   CYS  34          2HB       CYS  34   2.478  -5.153  -5.153
  248    H    GLU  35           H        GLU  35   3.918  -3.056  -3.056
  249    HA   GLU  35           HA       GLU  35   2.016  -1.606  -1.606
  250   1HB   GLU  35          1HB       GLU  35   4.798  -0.220  -0.220
  251   2HB   GLU  35          2HB       GLU  35   3.350   0.577   0.577
  252   1HG   GLU  35          1HG       GLU  35   3.224  -1.041  -1.041
  253   2HG   GLU  35          2HG       GLU  35   4.736  -1.778  -1.778
  254    HE2  GLU  35           HE2      GLU  35   5.044   1.030   1.030
  255    H    CYS  36           H        CYS  36   1.153   0.438   0.438
  256    HA   CYS  36           HA       CYS  36   1.743   0.531   0.531
  257   1HB   CYS  36          1HB       CYS  36  -0.965   1.203   1.203
  258   2HB   CYS  36          2HB       CYS  36  -0.280   1.738   1.738
  259    H    LYS  37           H        LYS  37   3.510   1.836   1.836
  260    HA   LYS  37           HA       LYS  37   3.713   3.784   3.784
  261   1HB   LYS  37          1HB       LYS  37   5.327   3.569   3.569
  262   2HB   LYS  37          2HB       LYS  37   5.692   4.773   4.773
  263   1HG   LYS  37          1HG       LYS  37   5.979   2.986   2.986
  264   2HG   LYS  37          2HG       LYS  37   5.563   1.752   1.752
  265   1HD   LYS  37          1HD       LYS  37   7.923   1.675   1.675
  266   2HD   LYS  37          2HD       LYS  37   7.562   2.335   2.335
  267   1HE   LYS  37          1HE       LYS  37   9.492   3.449   3.449
  268   2HE   LYS  37          2HE       LYS  37   8.193   4.615   4.615
  269   1HZ   LYS  37          1HZ       LYS  37   7.688   4.439   4.439
  270   2HZ   LYS  37          2HZ       LYS  37   8.873   3.334   3.334
  271    HA   PRO  38           HA       PRO  38   0.949   6.890   6.890
  272   1HB   PRO  38          1HB       PRO  38   3.176   9.024   9.024
  273   2HB   PRO  38          2HB       PRO  38   1.603   9.067   9.067
  274   1HG   PRO  38          1HG       PRO  38   3.865   8.179   8.179
  275   2HG   PRO  38          2HG       PRO  38   2.294   7.420   7.420
  276   1HD   PRO  38          1HD       PRO  38   4.611   6.287   6.287
  277   2HD   PRO  38          2HD       PRO  38   3.231   5.465   5.465
  278    H    ARG  39           H        ARG  39   3.506   7.940   7.940
  279    HA   ARG  39           HA       ARG  39   1.355   8.781   8.781
  280   1HB   ARG  39          1HB       ARG  39   2.778  10.819  10.819
  281   2HB   ARG  39          2HB       ARG  39   1.725  10.861  10.861
  282   1HG   ARG  39          1HG       ARG  39   3.729  12.088  12.088
  283   2HG   ARG  39          2HG       ARG  39   3.542  10.743  10.743
  284   1HD   ARG  39          1HD       ARG  39   5.888  11.009  11.009
  285   2HD   ARG  39          2HD       ARG  39   5.348   9.468   9.468
  286   1HH1  ARG  39          2HH2      ARG  39   7.397   9.240   9.240
  287   2HH1  ARG  39          1HH2      ARG  39   8.503   9.318   9.318
  288   1HH2  ARG  39          1HH1      ARG  39   6.599  11.695  11.695
  289   2HH2  ARG  39          2HH1      ARG  39   8.080  10.611  10.611
  290    H    LEU  40           H        LEU  40   1.546   7.760   7.760
  291    HA   LEU  40           HA       LEU  40   4.332   7.146   7.146
  292   1HB   LEU  40          1HB       LEU  40   2.978   5.160   5.160
  293   2HB   LEU  40          2HB       LEU  40   1.805   5.827   5.827
  294    HG   LEU  40           HG       LEU  40   4.746   5.989   5.989
  295   1HD1  LEU  40          3HD2      LEU  40   4.706   3.688   3.688
  296   2HD1  LEU  40          1HD2      LEU  40   3.304   3.256   3.256
  297   3HD1  LEU  40          2HD2      LEU  40   4.879   3.629   3.629
  298   1HD2  LEU  40          2HD1      LEU  40   3.024   6.799   6.799
  299   2HD2  LEU  40          3HD1      LEU  40   3.877   5.405   5.405
  300   3HD2  LEU  40          1HD1      LEU  40   2.230   5.204   5.204
  301    H    ILE  41           H        ILE  41   4.852   8.724   8.724
  302    HA   ILE  41           HA       ILE  41   3.791   9.908   9.908
  303    HB   ILE  41           HB       ILE  41   2.464  11.341  11.341
  304   1HG1  ILE  41          1HG1      ILE  41   4.568  13.059  13.059
  305   2HG1  ILE  41          2HG1      ILE  41   3.375  12.088  12.088
  306   1HG2  ILE  41          1HG2      ILE  41   3.951  11.545  11.545
  307   2HG2  ILE  41          2HG2      ILE  41   5.023  12.647  12.647
  308   3HG2  ILE  41          3HG2      ILE  41   3.343  13.109  13.109
  309   1HD1  ILE  41          1HD1      ILE  41   1.491  13.367  13.367
  310   2HD1  ILE  41          2HD1      ILE  41   2.695  14.420  14.420
  311   3HD1  ILE  41          3HD1      ILE  41   2.562  14.396  14.396
  312    H    MET  42           H        MET  42   5.644   8.465   8.465
  313    HA   MET  42           HA       MET  42   7.825   8.031   8.031
  314   1HB   MET  42          1HB       MET  42   7.957  10.451  10.451
  315   2HB   MET  42          2HB       MET  42   8.845  10.868  10.868
  316   1HG   MET  42          1HG       MET  42   9.616   8.738   8.738
  317   2HG   MET  42          2HG       MET  42  10.365  10.323  10.323
  318   1HE   MET  42          2HE       MET  42  12.355  10.832  10.832
  319   2HE   MET  42          1HE       MET  42  11.127  10.894  10.894
  320   3HE   MET  42          3HE       MET  42  12.627   9.950   9.950
  321    H    GLU  43           H        GLU  43   7.403   6.690   6.690
  322    HA   GLU  43           HA       GLU  43   8.989   7.381   7.381
  323   1HB   GLU  43          1HB       GLU  43   6.710   7.325   7.325
  324   2HB   GLU  43          2HB       GLU  43   6.428   5.983   5.983
  325   1HG   GLU  43          1HG       GLU  43   7.526   4.545   4.545
  326   2HG   GLU  43          2HG       GLU  43   8.076   5.608   5.608
  327    HE2  GLU  43           HE2      GLU  43   5.014   5.695   5.695
  328    H    GLY  44           H        GLY  44   8.566   4.456   4.456
  329   1HA   GLY  44          1HA       GLY  44  10.954   3.825   3.825
  330   2HA   GLY  44          2HA       GLY  44  11.088   3.209   3.209
  331    H    LEU  45           H        LEU  45   8.497   3.236   3.236
  332    HA   LEU  45           HA       LEU  45   7.112   1.667   1.667
  333   1HB   LEU  45          1HB       LEU  45   9.396   1.274   1.274
  334   2HB   LEU  45          2HB       LEU  45   9.569  -0.144  -0.144
  335    HG   LEU  45           HG       LEU  45   7.358  -1.033  -1.033
  336   1HD1  LEU  45          1HD2      LEU  45   7.748   1.377   1.377
  337   2HD1  LEU  45          2HD2      LEU  45   6.632   0.015   0.015
  338   3HD1  LEU  45          3HD2      LEU  45   6.360   1.100   1.100
  339   1HD2  LEU  45          1HD1      LEU  45   9.589  -1.846  -1.846
  340   2HD2  LEU  45          2HD1      LEU  45   8.441  -1.768  -1.768
  341   3HD2  LEU  45          3HD1      LEU  45   9.696  -0.515  -0.515
  342    H    GLY  46           H        GLY  46   5.661   1.298   1.298
  343   1HA   GLY  46          1HA       GLY  46   5.793  -1.441  -1.441
  344   2HA   GLY  46          2HA       GLY  46   4.882  -0.070  -0.070
  345    H    LEU  47           H        LEU  47   5.219  -1.822  -1.822
  346    HA   LEU  47           HA       LEU  47   2.200  -2.164  -2.164
  347   1HB   LEU  47          1HB       LEU  47   4.051  -1.190  -1.190
  348   2HB   LEU  47          2HB       LEU  47   2.367  -1.606  -1.606
  349    HG   LEU  47           HG       LEU  47   3.309   0.674   0.674
  350   1HD1  LEU  47          2HD1      LEU  47   3.887   1.156   1.156
  351   2HD1  LEU  47          3HD1      LEU  47   2.205   0.849   0.849
  352   3HD1  LEU  47          1HD1      LEU  47   2.590   2.223   2.223
  353   1HD2  LEU  47          2HD2      LEU  47   1.030  -0.179  -0.179
  354   2HD2  LEU  47          3HD2      LEU  47   0.917   1.436   1.436
  355   3HD2  LEU  47          1HD2      LEU  47   0.460   0.008   0.008
  356    H    ALA  48           H        ALA  48   5.204  -3.813  -3.813
  357    HA   ALA  48           HA       ALA  48   4.071  -5.984  -5.984
  358   1HB   ALA  48          2HB       ALA  48   6.478  -5.377  -5.377
  359   2HB   ALA  48          3HB       ALA  48   6.795  -5.802  -5.802
  360   3HB   ALA  48          1HB       ALA  48   6.310  -7.059  -7.059
  361    HXT  ALA  48           HO        OH  49   2.868  -8.093  -8.093

  Start of MODEL   14
    1   1H    LYS   1          1H        LYS   1  -8.264 -11.370 -11.370
    2   2H    LYS   1          2H        LYS   1  -7.063 -10.389 -10.389
    3   3H    LYS   1          3H        LYS   1  -7.359 -11.842 -11.842
    4    HA   LYS   1           HA       LYS   1  -9.537 -11.141 -11.141
    5   1HB   LYS   1          1HB       LYS   1  -7.339  -9.143  -9.143
    6   2HB   LYS   1          2HB       LYS   1  -8.853  -9.336  -9.336
    7   1HG   LYS   1          1HG       LYS   1  -6.701 -11.530 -11.530
    8   2HG   LYS   1          2HG       LYS   1  -6.888 -10.432 -10.432
    9   1HD   LYS   1          1HD       LYS   1  -9.215 -11.345 -11.345
   10   2HD   LYS   1          2HD       LYS   1  -9.006 -12.492 -12.492
   11   1HE   LYS   1          1HE       LYS   1  -7.008 -13.517 -13.517
   12   2HE   LYS   1          2HE       LYS   1  -7.208 -12.366 -12.366
   13   1HZ   LYS   1          1HZ       LYS   1  -9.400 -13.279 -13.279
   14   2HZ   LYS   1          2HZ       LYS   1  -8.250 -14.435 -14.435
   15    H    LYS   2           H        LYS   2 -11.231  -9.929  -9.929
   16    HA   LYS   2           HA       LYS   2 -11.104  -7.846  -7.846
   17   1HB   LYS   2          1HB       LYS   2 -13.533  -9.004  -9.004
   18   2HB   LYS   2          2HB       LYS   2 -13.642  -7.877  -7.877
   19   1HG   LYS   2          1HG       LYS   2 -12.479 -10.722 -10.722
   20   2HG   LYS   2          2HG       LYS   2 -14.102 -10.229 -10.229
   21   1HD   LYS   2          1HD       LYS   2 -13.143  -8.668  -8.668
   22   2HD   LYS   2          2HD       LYS   2 -11.514  -9.203  -9.203
   23   1HE   LYS   2          1HE       LYS   2 -12.121 -11.588 -11.588
   24   2HE   LYS   2          2HE       LYS   2 -13.751 -11.055 -11.055
   25   1HZ   LYS   2          1HZ       LYS   2 -11.244 -10.063 -10.063
   26   2HZ   LYS   2          2HZ       LYS   2 -12.749  -9.573  -9.573
   27    H    LYS   3           H        LYS   3 -11.606  -5.756  -5.756
   28    HA   LYS   3           HA       LYS   3 -12.104  -3.641  -3.641
   29   1HB   LYS   3          1HB       LYS   3 -13.171  -4.768  -4.768
   30   2HB   LYS   3          2HB       LYS   3 -13.230  -3.093  -3.093
   31   1HG   LYS   3          1HG       LYS   3 -14.620  -3.728  -3.728
   32   2HG   LYS   3          2HG       LYS   3 -14.590  -5.417  -5.417
   33   1HD   LYS   3          1HD       LYS   3 -15.725  -4.771  -4.771
   34   2HD   LYS   3          2HD       LYS   3 -15.773  -3.086  -3.086
   35   1HE   LYS   3          1HE       LYS   3 -17.206  -3.761  -3.761
   36   2HE   LYS   3          2HE       LYS   3 -17.161  -5.445  -5.445
   37   1HZ   LYS   3          1HZ       LYS   3 -18.247  -4.774  -4.774
   38   2HZ   LYS   3          2HZ       LYS   3 -19.149  -4.375  -4.375
   39    H    CYS   4           H        CYS   4 -10.255  -2.622  -2.622
   40    HA   CYS   4           HA       CYS   4  -7.744  -2.858  -2.858
   41   1HB   CYS   4          2HB       CYS   4  -7.868  -0.560  -0.560
   42   2HB   CYS   4          1HB       CYS   4  -8.772  -0.852  -0.852
   43    H    ILE   5           H        ILE   5  -6.568  -1.161  -1.161
   44    HA   ILE   5           HA       ILE   5  -6.963  -1.474  -1.474
   45    HB   ILE   5           HB       ILE   5  -4.501  -0.637  -0.637
   46   1HG1  ILE   5          1HG1      ILE   5  -5.058  -2.963  -2.963
   47   2HG1  ILE   5          2HG1      ILE   5  -3.478  -2.732  -2.732
   48   1HG2  ILE   5          3HG2      ILE   5  -4.854  -1.138  -1.138
   49   2HG2  ILE   5          1HG2      ILE   5  -3.273  -0.948  -0.948
   50   3HG2  ILE   5          2HG2      ILE   5  -4.443   0.398   0.398
   51   1HD1  ILE   5          2HD1      ILE   5  -6.043  -3.769  -3.769
   52   2HD1  ILE   5          3HD1      ILE   5  -4.612  -4.728  -4.728
   53   3HD1  ILE   5          1HD1      ILE   5  -4.470  -3.547  -3.547
   54    H    ALA   6           H        ALA   6  -8.036   0.444   0.444
   55    HA   ALA   6           HA       ALA   6  -7.654   3.088   3.088
   56   1HB   ALA   6          2HB       ALA   6  -9.989   2.361   2.361
   57   2HB   ALA   6          3HB       ALA   6  -9.931   2.319   2.319
   58   3HB   ALA   6          1HB       ALA   6  -9.733   3.863   3.863
   59    H    LYS   7           H        LYS   7  -5.517   2.768   2.768
   60    HA   LYS   7           HA       LYS   7  -5.193   4.698   4.698
   61   1HB   LYS   7          1HB       LYS   7  -5.726   2.559   2.559
   62   2HB   LYS   7          2HB       LYS   7  -4.419   1.721   1.721
   63   1HG   LYS   7          1HG       LYS   7  -2.747   3.271   3.271
   64   2HG   LYS   7          2HG       LYS   7  -4.043   4.135   4.135
   65   1HD   LYS   7          1HD       LYS   7  -3.397   1.133   1.133
   66   2HD   LYS   7          2HD       LYS   7  -2.771   2.424   2.424
   67   1HE   LYS   7          1HE       LYS   7  -5.135   3.048   3.048
   68   2HE   LYS   7          2HE       LYS   7  -5.774   1.727   1.727
   69   1HZ   LYS   7          1HZ       LYS   7  -4.523   0.164   0.164
   70   2HZ   LYS   7          2HZ       LYS   7  -5.533   1.048   1.048
   71    H    ASP   8           H        ASP   8  -3.481   5.826   5.826
   72    HA   ASP   8           HA       ASP   8  -1.353   4.856   4.856
   73   1HB   ASP   8          1HB       ASP   8  -0.018   6.899   6.899
   74   2HB   ASP   8          2HB       ASP   8  -1.513   7.228   7.228
   75    HD2  ASP   8           HD2      ASP   8  -0.607   8.600   8.600
   76    H    TYR   9           H        TYR   9   0.474   3.518   3.518
   77    HA   TYR   9           HA       TYR   9   2.112   2.641   2.641
   78   1HB   TYR   9          2HB       TYR   9   1.851   4.168   4.168
   79   2HB   TYR   9          1HB       TYR   9   3.282   3.704   3.704
   80    HD1  TYR   9           HD1      TYR   9   2.016   5.689   5.689
   81    HD2  TYR   9           HD2      TYR   9   3.060   6.154   6.154
   82    HE1  TYR   9           HE1      TYR   9   2.704   7.894   7.894
   83    HE2  TYR   9           HE2      TYR   9   3.756   8.437   8.437
   84    HH   TYR   9           HH       TYR   9   3.475   9.837   9.837
   85    H    GLY  10           H        GLY  10   0.084   1.496   1.496
   86   1HA   GLY  10          1HA       GLY  10  -1.395   0.442   0.442
   87   2HA   GLY  10          2HA       GLY  10  -1.806   0.059   0.059
   88    H    ARG  11           H        ARG  11  -1.653  -2.203  -2.203
   89    HA   ARG  11           HA       ARG  11   0.982  -3.494  -3.494
   90   1HB   ARG  11          1HB       ARG  11  -1.320  -4.199  -4.199
   91   2HB   ARG  11          2HB       ARG  11   0.115  -5.174  -5.174
   92   1HG   ARG  11          1HG       ARG  11   0.087  -2.315  -2.315
   93   2HG   ARG  11          2HG       ARG  11   0.164  -3.797  -3.797
   94   1HD   ARG  11          1HD       ARG  11   2.396  -4.389  -4.389
   95   2HD   ARG  11          2HD       ARG  11   2.326  -2.965  -2.965
   96   1HH1  ARG  11          2HH2      ARG  11   4.593  -3.211  -3.211
   97   2HH1  ARG  11          1HH2      ARG  11   5.771  -2.282  -2.282
   98   1HH2  ARG  11          1HH1      ARG  11   3.293  -1.096  -1.096
   99   2HH2  ARG  11          2HH1      ARG  11   5.079  -1.160  -1.160
  100    H    CYS  12           H        CYS  12   0.319  -3.428  -3.428
  101    HA   CYS  12           HA       CYS  12  -1.989  -4.934  -4.934
  102   1HB   CYS  12          2HB       CYS  12  -1.326  -3.880  -3.880
  103   2HB   CYS  12          1HB       CYS  12  -1.250  -2.704  -2.704
  104    H    LYS  13           H        LYS  13  -1.381  -5.967  -5.967
  105    HA   LYS  13           HA       LYS  13   1.071  -7.698  -7.698
  106   1HB   LYS  13          1HB       LYS  13  -0.763  -9.020  -9.020
  107   2HB   LYS  13          2HB       LYS  13  -1.627  -9.199  -9.199
  108   1HG   LYS  13          1HG       LYS  13   0.559 -10.297 -10.297
  109   2HG   LYS  13          2HG       LYS  13   1.217 -10.211 -10.211
  110   1HD   LYS  13          1HD       LYS  13  -1.291 -11.734 -11.734
  111   2HD   LYS  13          2HD       LYS  13   0.285 -12.445 -12.445
  112   1HE   LYS  13          1HE       LYS  13  -1.501 -11.195 -11.195
  113   2HE   LYS  13          2HE       LYS  13  -1.353 -12.914 -12.914
  114   1HZ   LYS  13          1HZ       LYS  13   0.970 -12.825 -12.825
  115   2HZ   LYS  13          2HZ       LYS  13   0.026 -12.305 -12.305
  116    H    TRP  14           H        TRP  14   1.623  -8.426  -8.426
  117    HA   TRP  14           HA       TRP  14   0.019  -7.541  -7.541
  118   1HB   TRP  14          1HB       TRP  14   3.037  -7.941  -7.941
  119   2HB   TRP  14          2HB       TRP  14   2.281  -8.247  -8.247
  120    HD1  TRP  14           HD1      TRP  14   0.692  -5.081  -5.081
  121    HE1  TRP  14           HE1      TRP  14   1.386  -2.952  -2.952
  122    HE3  TRP  14           HE3      TRP  14   4.397  -7.273  -7.273
  123    HZ2  TRP  14           HZ2      TRP  14   3.402  -2.386  -2.386
  124    HZ3  TRP  14           HZ3      TRP  14   5.716  -5.837  -5.837
  125    HH2  TRP  14           HH2      TRP  14   5.230  -3.433  -3.433
  126    H    GLY  15           H        GLY  15  -1.370  -9.081  -9.081
  127   1HA   GLY  15          1HA       GLY  15  -1.452 -11.709 -11.709
  128   2HA   GLY  15          2HA       GLY  15  -0.748 -11.962 -11.962
  129    H    GLY  16           H        GLY  16  -1.835 -10.405 -10.405
  130   1HA   GLY  16          1HA       GLY  16  -4.804 -11.008 -11.008
  131   2HA   GLY  16          2HA       GLY  16  -3.688 -10.166 -10.166
  132    H    THR  17           H        THR  17  -5.106  -8.683  -8.683
  133    HA   THR  17           HA       THR  17  -6.486  -7.012  -7.012
  134    HB   THR  17           HB       THR  17  -5.672  -5.180  -5.180
  135    HG1  THR  17           HG1      THR  17  -6.942  -7.629  -7.629
  136   1HG2  THR  17          1HG2      THR  17  -7.577  -4.805  -4.805
  137   2HG2  THR  17          2HG2      THR  17  -8.435  -6.185  -6.185
  138   3HG2  THR  17          3HG2      THR  17  -7.939  -4.811  -4.811
  139    HA   PRO  18           HA       PRO  18  -3.084  -4.269  -4.269
  140   1HB   PRO  18          1HB       PRO  18  -4.637  -2.489  -2.489
  141   2HB   PRO  18          2HB       PRO  18  -4.652  -4.190  -4.190
  142   1HG   PRO  18          1HG       PRO  18  -6.543  -2.880  -2.880
  143   2HG   PRO  18          2HG       PRO  18  -7.090  -3.483  -3.483
  144   1HD   PRO  18          1HD       PRO  18  -7.144  -5.232  -5.232
  145   2HD   PRO  18          2HD       PRO  18  -6.242  -5.809  -5.809
  146    H    CYS  19           H        CYS  19  -4.334  -1.588  -1.588
  147    HA   CYS  19           HA       CYS  19  -4.684  -0.746  -0.746
  148   1HB   CYS  19          1HB       CYS  19  -2.230  -0.508  -0.508
  149   2HB   CYS  19          2HB       CYS  19  -2.355   0.886   0.886
  150    H    CYS  20           H        CYS  20  -5.603   1.168   1.168
  151    HA   CYS  20           HA       CYS  20  -7.540   1.298   1.298
  152   1HB   CYS  20          1HB       CYS  20  -7.994   1.276   1.276
  153   2HB   CYS  20          2HB       CYS  20  -8.321   2.883   2.883
  154    H    ARG  21           H        ARG  21  -6.282   4.176   4.176
  155    HA   ARG  21           HA       ARG  21  -7.695   5.908   5.908
  156   1HB   ARG  21          1HB       ARG  21  -6.482   6.704   6.704
  157   2HB   ARG  21          2HB       ARG  21  -7.435   7.729   7.729
  158   1HG   ARG  21          1HG       ARG  21  -9.421   6.202   6.202
  159   2HG   ARG  21          2HG       ARG  21  -8.521   5.142   5.142
  160   1HD   ARG  21          1HD       ARG  21  -9.072   8.111   8.111
  161   2HD   ARG  21          2HD       ARG  21 -10.107   6.766   6.766
  162   1HH1  ARG  21          2HH2      ARG  21 -10.222   8.138   8.138
  163   2HH1  ARG  21          1HH2      ARG  21  -9.665   8.200   8.200
  164   1HH2  ARG  21          1HH1      ARG  21  -6.790   6.405   6.405
  165   2HH2  ARG  21          2HH1      ARG  21  -7.850   7.284   7.284
  166    H    GLY  22           H        GLY  22  -5.965   5.108   5.108
  167   1HA   GLY  22          1HA       GLY  22  -4.347   5.848   5.848
  168   2HA   GLY  22          2HA       GLY  22  -4.225   7.397   7.397
  169    H    ARG  23           H        ARG  23  -3.432   3.965   3.965
  170    HA   ARG  23           HA       ARG  23  -0.758   4.761   4.761
  171   1HB   ARG  23          1HB       ARG  23  -3.030   3.122   3.122
  172   2HB   ARG  23          2HB       ARG  23  -1.374   2.922   2.922
  173   1HG   ARG  23          1HG       ARG  23  -1.118   5.188   5.188
  174   2HG   ARG  23          2HG       ARG  23  -2.599   5.705   5.705
  175   1HD   ARG  23          1HD       ARG  23  -3.913   4.091   4.091
  176   2HD   ARG  23          2HD       ARG  23  -2.428   3.883   3.883
  177   1HH1  ARG  23          2HH2      ARG  23  -5.171   4.290   4.290
  178   2HH1  ARG  23          1HH2      ARG  23  -6.059   5.497   5.497
  179   1HH2  ARG  23          1HH1      ARG  23  -3.659   7.936   7.936
  180   2HH2  ARG  23          2HH1      ARG  23  -5.258   7.423   7.423
  181    H    GLY  24           H        GLY  24   0.495   2.985   2.985
  182   1HA   GLY  24          1HA       GLY  24   0.575   0.618   0.618
  183   2HA   GLY  24          2HA       GLY  24   1.988   1.604   1.604
  184    H    CYS  25           H        CYS  25   0.744  -0.614  -0.614
  185    HA   CYS  25           HA       CYS  25   1.622  -0.715  -0.715
  186   1HB   CYS  25          1HB       CYS  25  -0.262  -2.095  -2.095
  187   2HB   CYS  25          2HB       CYS  25   0.362  -2.809  -2.809
  188    H    ILE  26           H        ILE  26   3.809  -0.140  -0.140
  189    HA   ILE  26           HA       ILE  26   5.797  -1.977  -1.977
  190    HB   ILE  26           HB       ILE  26   6.432   0.208   0.208
  191   1HG1  ILE  26          1HG1      ILE  26   5.586   1.363   1.363
  192   2HG1  ILE  26          2HG1      ILE  26   7.321   1.554   1.554
  193   1HG2  ILE  26          3HG2      ILE  26   8.301  -1.618  -1.618
  194   2HG2  ILE  26          1HG2      ILE  26   8.845  -0.052  -0.052
  195   3HG2  ILE  26          2HG2      ILE  26   8.178  -1.326  -1.326
  196   1HD1  ILE  26          3HD1      ILE  26   7.460  -0.259  -0.259
  197   2HD1  ILE  26          1HD1      ILE  26   5.676  -0.342  -0.342
  198   3HD1  ILE  26          2HD1      ILE  26   6.485   1.161   1.161
  199    H    CYS  27           H        CYS  27   6.902  -3.309  -3.309
  200    HA   CYS  27           HA       CYS  27   5.986  -4.336  -4.336
  201   1HB   CYS  27          1HB       CYS  27   6.449  -6.136  -6.136
  202   2HB   CYS  27          2HB       CYS  27   5.863  -6.607  -6.607
  203    H    SER  28           H        SER  28   7.370  -6.549  -6.549
  204    HA   SER  28           HA       SER  28  10.030  -5.441  -5.441
  205   1HB   SER  28          1HB       SER  28   8.126  -7.728  -7.728
  206   2HB   SER  28          2HB       SER  28   9.578  -7.292  -7.292
  207    HG   SER  28           HG       SER  28   7.418  -5.535  -5.535
  208    H    ILE  29           H        ILE  29  10.909  -8.056  -8.056
  209    HA   ILE  29           HA       ILE  29  12.374  -8.714  -8.714
  210    HB   ILE  29           HB       ILE  29  12.036 -10.164 -10.164
  211   1HG1  ILE  29          1HG1      ILE  29  12.819  -7.764  -7.764
  212   2HG1  ILE  29          2HG1      ILE  29  13.762  -8.970  -8.970
  213   1HG2  ILE  29          2HG2      ILE  29  14.297 -10.653 -10.653
  214   2HG2  ILE  29          3HG2      ILE  29  14.348 -11.138 -11.138
  215   3HG2  ILE  29          1HG2      ILE  29  13.117 -11.818 -11.818
  216   1HD1  ILE  29          3HD1      ILE  29  14.415  -7.530  -7.530
  217   2HD1  ILE  29          1HD1      ILE  29  15.145  -7.159  -7.159
  218   3HD1  ILE  29          2HD1      ILE  29  15.501  -8.710  -8.710
  219    H    MET  30           H        MET  30   9.481  -9.475  -9.475
  220    HA   MET  30           HA       MET  30   9.474 -11.908 -11.908
  221   1HB   MET  30          1HB       MET  30   9.612 -12.778 -12.778
  222   2HB   MET  30          2HB       MET  30   8.024 -12.100 -12.100
  223   1HG   MET  30          1HG       MET  30   7.943 -14.532 -14.532
  224   2HG   MET  30          2HG       MET  30   7.023 -13.670 -13.670
  225   1HE   MET  30          2HE       MET  30   7.117 -15.767 -15.767
  226   2HE   MET  30          1HE       MET  30   8.623 -16.637 -16.637
  227   3HE   MET  30          3HE       MET  30   7.995 -16.695 -16.695
  228    H    GLY  31           H        GLY  31   7.461  -9.291  -9.291
  229   1HA   GLY  31          1HA       GLY  31   5.446  -8.410  -8.410
  230   2HA   GLY  31          2HA       GLY  31   5.336  -9.859  -9.859
  231    H    THR  32           H        THR  32   5.310  -8.942  -8.942
  232    HA   THR  32           HA       THR  32   2.831 -10.511 -10.511
  233    HB   THR  32           HB       THR  32   4.111 -11.763 -11.763
  234    HG1  THR  32           HG1      THR  32   6.213 -11.335 -11.335
  235   1HG2  THR  32          2HG2      THR  32   3.077 -13.011 -13.011
  236   2HG2  THR  32          3HG2      THR  32   4.613 -12.821 -12.821
  237   3HG2  THR  32          1HG2      THR  32   4.564 -13.765 -13.765
  238    H    ASN  33           H        ASN  33   5.304  -9.566  -9.566
  239    HA   ASN  33           HA       ASN  33   3.930  -8.023  -8.023
  240   1HB   ASN  33          2HB       ASN  33   6.783  -8.739  -8.739
  241   2HB   ASN  33          1HB       ASN  33   6.665  -7.738  -7.738
  242   1HD2  ASN  33          1HD2      ASN  33   6.461 -11.628 -11.628
  243   2HD2  ASN  33          2HD2      ASN  33   6.915 -10.928 -10.928
  244    H    CYS  34           H        CYS  34   3.864  -7.118  -7.118
  245    HA   CYS  34           HA       CYS  34   5.373  -4.810  -4.810
  246   1HB   CYS  34          1HB       CYS  34   3.973  -6.278  -6.278
  247   2HB   CYS  34          2HB       CYS  34   2.523  -5.543  -5.543
  248    H    GLU  35           H        GLU  35   3.741  -3.068  -3.068
  249    HA   GLU  35           HA       GLU  35   2.082  -1.684  -1.684
  250   1HB   GLU  35          1HB       GLU  35   4.690  -0.112  -0.112
  251   2HB   GLU  35          2HB       GLU  35   3.292   0.560   0.560
  252   1HG   GLU  35          1HG       GLU  35   3.604  -1.233  -1.233
  253   2HG   GLU  35          2HG       GLU  35   5.160  -1.589  -1.589
  254    HE1  GLU  35           HE2      GLU  35   4.454   1.908   1.908
  255    H    CYS  36           H        CYS  36   1.196   0.354   0.354
  256    HA   CYS  36           HA       CYS  36   0.872   0.613   0.613
  257   1HB   CYS  36          1HB       CYS  36  -0.754   2.121   2.121
  258   2HB   CYS  36          2HB       CYS  36  -0.761   2.495   2.495
  259    H    LYS  37           H        LYS  37   3.148   0.933   0.933
  260    HA   LYS  37           HA       LYS  37   4.825   1.778   1.778
  261   1HB   LYS  37          1HB       LYS  37   6.168   2.816   2.816
  262   2HB   LYS  37          2HB       LYS  37   4.817   2.205   2.205
  263   1HG   LYS  37          1HG       LYS  37   3.854   4.496   4.496
  264   2HG   LYS  37          2HG       LYS  37   5.088   5.176   5.176
  265   1HD   LYS  37          1HD       LYS  37   5.710   3.810   3.810
  266   2HD   LYS  37          2HD       LYS  37   5.474   5.533   5.533
  267   1HE   LYS  37          1HE       LYS  37   7.724   3.930   3.930
  268   2HE   LYS  37          2HE       LYS  37   7.903   4.777   4.777
  269   1HZ   LYS  37          1HZ       LYS  37   7.325   6.851   6.851
  270   2HZ   LYS  37          2HZ       LYS  37   7.142   6.080   6.080
  271    HA   PRO  38           HA       PRO  38   5.118   5.181   5.181
  272   1HB   PRO  38          1HB       PRO  38   7.738   4.913   4.913
  273   2HB   PRO  38          2HB       PRO  38   6.446   3.784   3.784
  274   1HG   PRO  38          1HG       PRO  38   8.495   3.475   3.475
  275   2HG   PRO  38          2HG       PRO  38   8.070   2.286   2.286
  276   1HD   PRO  38          1HD       PRO  38   6.945   2.189   2.189
  277   2HD   PRO  38          2HD       PRO  38   5.977   1.759   1.759
  278    H    ARG  39           H        ARG  39   5.914   7.236   7.236
  279    HA   ARG  39           HA       ARG  39   6.791   9.304   9.304
  280   1HB   ARG  39          1HB       ARG  39   8.541   8.126   8.126
  281   2HB   ARG  39          2HB       ARG  39   8.642   9.727   9.727
  282   1HG   ARG  39          1HG       ARG  39   9.642   9.136   9.136
  283   2HG   ARG  39          2HG       ARG  39   9.019   7.505   7.505
  284   1HD   ARG  39          1HD       ARG  39  11.185   8.428   8.428
  285   2HD   ARG  39          2HD       ARG  39  11.525   7.741   7.741
  286   1HH1  ARG  39          2HH2      ARG  39  10.899   7.784   7.784
  287   2HH1  ARG  39          1HH2      ARG  39  10.788   6.373   6.373
  288   1HH2  ARG  39          1HH1      ARG  39  10.446   4.037   4.037
  289   2HH2  ARG  39          2HH1      ARG  39  10.549   4.397   4.397
  290    H    LEU  40           H        LEU  40   6.420  10.871  10.871
  291    HA   LEU  40           HA       LEU  40   4.604  10.440  10.440
  292   1HB   LEU  40          1HB       LEU  40   3.385  11.580  11.580
  293   2HB   LEU  40          2HB       LEU  40   4.464  12.965  12.965
  294    HG   LEU  40           HG       LEU  40   3.369  11.965  11.965
  295   1HD1  LEU  40          3HD2      LEU  40   1.322  11.716  11.716
  296   2HD1  LEU  40          1HD2      LEU  40   1.470  13.409  13.409
  297   3HD1  LEU  40          2HD2      LEU  40   1.116  13.030  13.030
  298   1HD2  LEU  40          2HD1      LEU  40   4.747  14.019  14.019
  299   2HD2  LEU  40          3HD1      LEU  40   3.106  14.385  14.385
  300   3HD2  LEU  40          1HD1      LEU  40   3.608  14.817  14.817
  301    H    ILE  41           H        ILE  41   5.860  10.388  10.388
  302    HA   ILE  41           HA       ILE  41   7.612  12.677  12.677
  303    HB   ILE  41           HB       ILE  41   9.237  11.248  11.248
  304   1HG1  ILE  41          1HG1      ILE  41   8.508   9.059   9.059
  305   2HG1  ILE  41          2HG1      ILE  41   8.062   8.994   8.994
  306   1HG2  ILE  41          1HG2      ILE  41   9.800  12.659  12.659
  307   2HG2  ILE  41          2HG2      ILE  41   9.454  11.285  11.285
  308   3HG2  ILE  41          3HG2      ILE  41  10.808  11.210  11.210
  309   1HD1  ILE  41          1HD1      ILE  41  10.543   9.064   9.064
  310   2HD1  ILE  41          2HD1      ILE  41  10.945   8.941   8.941
  311   3HD1  ILE  41          3HD1      ILE  41  10.053   7.630   7.630
  312    H    MET  42           H        MET  42   6.848  10.066  10.066
  313    HA   MET  42           HA       MET  42   4.628  11.236  11.236
  314   1HB   MET  42          1HB       MET  42   6.555   9.197   9.197
  315   2HB   MET  42          2HB       MET  42   5.120   9.871   9.871
  316   1HG   MET  42          1HG       MET  42   6.163  12.174  12.174
  317   2HG   MET  42          2HG       MET  42   7.626  11.498  11.498
  318   1HE   MET  42          2HE       MET  42   8.183  13.005  13.005
  319   2HE   MET  42          1HE       MET  42   9.421  11.948  11.948
  320   3HE   MET  42          3HE       MET  42   9.090  11.831  11.831
  321    H    GLU  43           H        GLU  43   3.587  10.359  10.359
  322    HA   GLU  43           HA       GLU  43   3.588   8.125   8.125
  323   1HB   GLU  43          1HB       GLU  43   2.336  10.161  10.161
  324   2HB   GLU  43          2HB       GLU  43   0.859   9.384   9.384
  325   1HG   GLU  43          1HG       GLU  43   3.031   8.596   8.596
  326   2HG   GLU  43          2HG       GLU  43   1.512   9.298   9.298
  327    HE2  GLU  43           HE2      GLU  43   1.841   5.371   5.371
  328    H    GLY  44           H        GLY  44   3.329   6.654   6.654
  329   1HA   GLY  44          1HA       GLY  44   1.934   4.339   4.339
  330   2HA   GLY  44          2HA       GLY  44   1.445   5.243   5.243
  331    H    LEU  45           H        LEU  45   3.721   6.303   6.303
  332    HA   LEU  45           HA       LEU  45   5.100   3.788   3.788
  333   1HB   LEU  45          1HB       LEU  45   5.262   6.632   6.632
  334   2HB   LEU  45          2HB       LEU  45   6.037   5.219   5.219
  335    HG   LEU  45           HG       LEU  45   2.996   5.641   5.641
  336   1HD1  LEU  45          2HD1      LEU  45   4.078   7.166   7.166
  337   2HD1  LEU  45          3HD1      LEU  45   4.826   5.774   5.774
  338   3HD1  LEU  45          1HD1      LEU  45   3.056   5.963   5.963
  339   1HD2  LEU  45          2HD2      LEU  45   4.521   3.329   3.329
  340   2HD2  LEU  45          3HD2      LEU  45   3.474   3.195   3.195
  341   3HD2  LEU  45          1HD2      LEU  45   2.768   3.632   3.632
  342    H    GLY  46           H        GLY  46   6.479   7.058   7.058
  343   1HA   GLY  46          1HA       GLY  46   8.120   6.990   6.990
  344   2HA   GLY  46          2HA       GLY  46   8.965   5.741   5.741
  345    H    LEU  47           H        LEU  47   9.803   6.298   6.298
  346    HA   LEU  47           HA       LEU  47  10.226   9.263   9.263
  347   1HB   LEU  47          1HB       LEU  47  12.387   7.104   7.104
  348   2HB   LEU  47          2HB       LEU  47  12.543   8.757   8.757
  349    HG   LEU  47           HG       LEU  47  12.145   7.958   7.958
  350   1HD1  LEU  47          3HD1      LEU  47  14.334   7.133   7.133
  351   2HD1  LEU  47          1HD1      LEU  47  14.748   8.764   8.764
  352   3HD1  LEU  47          2HD1      LEU  47  14.576   8.452   8.452
  353   1HD2  LEU  47          3HD2      LEU  47  12.904  10.711  10.711
  354   2HD2  LEU  47          1HD2      LEU  47  11.365  10.308  10.308
  355   3HD2  LEU  47          2HD2      LEU  47  12.865  10.312  10.312
  356    H    ALA  48           H        ALA  48  10.761   6.067   6.067
  357    HA   ALA  48           HA       ALA  48   9.790   7.205   7.205
  358   1HB   ALA  48          2HB       ALA  48  11.728   5.648   5.648
  359   2HB   ALA  48          3HB       ALA  48  10.745   4.350   4.350
  360   3HB   ALA  48          1HB       ALA  48  10.361   4.969   4.969
  361    HXT  ALA  48           HO        OH  49   7.224   4.435   4.435

  Start of MODEL   15
    1   1H    LYS   1          1H        LYS   1  -8.930  -3.182  -3.182
    2   2H    LYS   1          2H        LYS   1  -9.118  -3.715  -3.715
    3   3H    LYS   1          3H        LYS   1  -7.661  -3.885  -3.885
    4    HA   LYS   1           HA       LYS   1  -8.560  -5.392  -5.392
    5   1HB   LYS   1          1HB       LYS   1  -8.807  -7.368  -7.368
    6   2HB   LYS   1          2HB       LYS   1  -7.498  -6.356  -6.356
    7   1HG   LYS   1          1HG       LYS   1  -8.983  -5.502  -5.502
    8   2HG   LYS   1          2HG       LYS   1 -10.283  -6.551  -6.551
    9   1HD   LYS   1          1HD       LYS   1  -8.807  -8.579  -8.579
   10   2HD   LYS   1          2HD       LYS   1  -7.507  -7.527  -7.527
   11   1HE   LYS   1          1HE       LYS   1  -8.990  -6.728  -6.728
   12   2HE   LYS   1          2HE       LYS   1 -10.293  -7.782  -7.782
   13   1HZ   LYS   1          1HZ       LYS   1  -9.004  -8.788  -8.788
   14   2HZ   LYS   1          2HZ       LYS   1  -7.614  -8.674  -8.674
   15    H    LYS   2           H        LYS   2 -10.237  -6.419  -6.419
   16    HA   LYS   2           HA       LYS   2 -12.359  -6.863  -6.863
   17   1HB   LYS   2          1HB       LYS   2 -12.812  -7.608  -7.608
   18   2HB   LYS   2          2HB       LYS   2 -13.621  -6.089  -6.089
   19   1HG   LYS   2          1HG       LYS   2 -14.428  -8.122  -8.122
   20   2HG   LYS   2          2HG       LYS   2 -15.065  -8.113  -8.113
   21   1HD   LYS   2          1HD       LYS   2 -15.992  -5.769  -5.769
   22   2HD   LYS   2          2HD       LYS   2 -15.451  -5.849  -5.849
   23   1HE   LYS   2          1HE       LYS   2 -16.908  -7.889  -7.889
   24   2HE   LYS   2          2HE       LYS   2 -17.471  -7.802  -7.802
   25   1HZ   LYS   2          1HZ       LYS   2 -17.804  -5.656  -5.656
   26   2HZ   LYS   2          2HZ       LYS   2 -18.321  -5.570  -5.570
   27    H    LYS   3           H        LYS   3 -12.572  -5.473  -5.473
   28    HA   LYS   3           HA       LYS   3 -13.057  -3.617  -3.617
   29   1HB   LYS   3          1HB       LYS   3 -15.351  -3.968  -3.968
   30   2HB   LYS   3          2HB       LYS   3 -15.022  -2.729  -2.729
   31   1HG   LYS   3          1HG       LYS   3 -14.688  -1.034  -1.034
   32   2HG   LYS   3          2HG       LYS   3 -14.999  -2.295  -2.295
   33   1HD   LYS   3          1HD       LYS   3 -17.307  -2.647  -2.647
   34   2HD   LYS   3          2HD       LYS   3 -17.025  -1.391  -1.391
   35   1HE   LYS   3          1HE       LYS   3 -17.006  -0.933  -0.933
   36   2HE   LYS   3          2HE       LYS   3 -18.406  -0.686  -0.686
   37   1HZ   LYS   3          1HZ       LYS   3 -15.839   0.769   0.769
   38   2HZ   LYS   3          2HZ       LYS   3 -17.153   0.986   0.986
   39    H    CYS   4           H        CYS   4 -10.915  -3.072  -3.072
   40    HA   CYS   4           HA       CYS   4  -8.998  -1.954  -1.954
   41   1HB   CYS   4          1HB       CYS   4  -8.956   0.379   0.379
   42   2HB   CYS   4          2HB       CYS   4  -9.997  -0.197  -0.197
   43    H    ILE   5           H        ILE   5  -7.755  -0.536  -0.536
   44    HA   ILE   5           HA       ILE   5  -8.310  -1.047  -1.047
   45    HB   ILE   5           HB       ILE   5  -5.623  -0.574  -0.574
   46   1HG1  ILE   5          1HG1      ILE   5  -7.039  -3.242  -3.242
   47   2HG1  ILE   5          2HG1      ILE   5  -6.381  -2.407  -2.407
   48   1HG2  ILE   5          2HG2      ILE   5  -6.088  -0.558  -0.558
   49   2HG2  ILE   5          3HG2      ILE   5  -5.976  -2.310  -2.310
   50   3HG2  ILE   5          1HG2      ILE   5  -4.605  -1.265  -1.265
   51   1HD1  ILE   5          1HD1      ILE   5  -4.011  -2.752  -2.752
   52   2HD1  ILE   5          2HD1      ILE   5  -4.638  -3.744  -3.744
   53   3HD1  ILE   5          3HD1      ILE   5  -4.878  -4.267  -4.267
   54    H    ALA   6           H        ALA   6  -8.641   0.861   0.861
   55    HA   ALA   6           HA       ALA   6  -7.974   3.523   3.523
   56   1HB   ALA   6          2HB       ALA   6 -10.287   3.054   3.054
   57   2HB   ALA   6          3HB       ALA   6  -9.838   2.916   2.916
   58   3HB   ALA   6          1HB       ALA   6  -9.658   4.469   4.469
   59    H    LYS   7           H        LYS   7  -5.610   2.412   2.412
   60    HA   LYS   7           HA       LYS   7  -4.687   4.412   4.412
   61   1HB   LYS   7          1HB       LYS   7  -2.797   2.617   2.617
   62   2HB   LYS   7          2HB       LYS   7  -4.357   2.085   2.085
   63   1HG   LYS   7          1HG       LYS   7  -3.347   0.305   0.305
   64   2HG   LYS   7          2HG       LYS   7  -4.717   0.833   0.833
   65   1HD   LYS   7          1HD       LYS   7  -2.021   1.921   1.921
   66   2HD   LYS   7          2HD       LYS   7  -2.391   0.250   0.250
   67   1HE   LYS   7          1HE       LYS   7  -3.869   0.620   0.620
   68   2HE   LYS   7          2HE       LYS   7  -4.616   2.009   2.009
   69   1HZ   LYS   7          1HZ       LYS   7  -2.778   3.372   3.372
   70   2HZ   LYS   7          2HZ       LYS   7  -3.522   2.661   2.661
   71    H    ASP   8           H        ASP   8  -2.438   4.465   4.465
   72    HA   ASP   8           HA       ASP   8  -1.351   4.783   4.783
   73   1HB   ASP   8          1HB       ASP   8  -1.435   7.174   7.174
   74   2HB   ASP   8          2HB       ASP   8  -0.205   6.589   6.589
   75    HD2  ASP   8           HD2      ASP   8   1.603   8.343   8.343
   76    H    TYR   9           H        TYR   9   0.454   3.038   3.038
   77    HA   TYR   9           HA       TYR   9   2.319   2.207   2.207
   78   1HB   TYR   9          2HB       TYR   9   2.566   3.174   3.174
   79   2HB   TYR   9          1HB       TYR   9   3.836   2.611   2.611
   80    HD1  TYR   9           HD1      TYR   9   1.839   5.613   5.613
   81    HD2  TYR   9           HD2      TYR   9   4.935   4.174   4.174
   82    HE1  TYR   9           HE1      TYR   9   2.711   7.864   7.864
   83    HE2  TYR   9           HE2      TYR   9   5.836   6.456   6.456
   84    HH   TYR   9           HH       TYR   9   5.598   8.577   8.577
   85    H    GLY  10           H        GLY  10  -0.048   0.923   0.923
   86   1HA   GLY  10          2HA       GLY  10  -0.071  -0.513  -0.513
   87   2HA   GLY  10          1HA       GLY  10  -1.400  -0.250  -0.250
   88    H    ARG  11           H        ARG  11   0.847  -2.423  -2.423
   89    HA   ARG  11           HA       ARG  11   1.258  -4.356  -4.356
   90   1HB   ARG  11          1HB       ARG  11  -1.154  -4.491  -4.491
   91   2HB   ARG  11          2HB       ARG  11  -0.432  -5.978  -5.978
   92   1HG   ARG  11          1HG       ARG  11   0.461  -5.502  -5.502
   93   2HG   ARG  11          2HG       ARG  11   1.757  -5.444  -5.444
   94   1HD   ARG  11          1HD       ARG  11   1.778  -2.941  -2.941
   95   2HD   ARG  11          2HD       ARG  11   0.404  -2.929  -2.929
   96   1HH1  ARG  11          2HH2      ARG  11   2.105  -1.194  -1.194
   97   2HH1  ARG  11          1HH2      ARG  11   3.275  -0.860  -0.860
   98   1HH2  ARG  11          1HH1      ARG  11   3.720  -4.207  -4.207
   99   2HH2  ARG  11          2HH1      ARG  11   4.132  -2.463  -2.463
  100    H    CYS  12           H        CYS  12   1.045  -4.299  -4.299
  101    HA   CYS  12           HA       CYS  12  -1.468  -5.076  -5.076
  102   1HB   CYS  12          2HB       CYS  12  -0.581  -4.179  -4.179
  103   2HB   CYS  12          1HB       CYS  12  -0.250  -3.051  -3.051
  104    H    LYS  13           H        LYS  13  -0.940  -6.240  -6.240
  105    HA   LYS  13           HA       LYS  13   1.182  -8.252  -8.252
  106   1HB   LYS  13          1HB       LYS  13   0.162 -10.380 -10.380
  107   2HB   LYS  13          2HB       LYS  13  -0.357  -9.519  -9.519
  108   1HG   LYS  13          1HG       LYS  13  -2.332 -10.437 -10.437
  109   2HG   LYS  13          2HG       LYS  13  -2.592  -9.027  -9.027
  110   1HD   LYS  13          1HD       LYS  13  -2.071 -10.305 -10.305
  111   2HD   LYS  13          2HD       LYS  13  -1.363 -11.636 -11.636
  112   1HE   LYS  13          1HE       LYS  13  -3.597 -12.220 -12.220
  113   2HE   LYS  13          2HE       LYS  13  -4.359 -10.889 -10.889
  114   1HZ   LYS  13          1HZ       LYS  13  -4.599 -12.994 -12.994
  115   2HZ   LYS  13          2HZ       LYS  13  -2.982 -13.215 -13.215
  116    H    TRP  14           H        TRP  14   1.338  -9.502  -9.502
  117    HA   TRP  14           HA       TRP  14   0.781  -7.659  -7.659
  118   1HB   TRP  14          1HB       TRP  14   2.517 -10.186 -10.186
  119   2HB   TRP  14          2HB       TRP  14   2.361  -9.095  -9.095
  120    HD1  TRP  14           HD1      TRP  14   2.649  -6.228  -6.228
  121    HE1  TRP  14           HE1      TRP  14   5.036  -5.517  -5.517
  122    HE3  TRP  14           HE3      TRP  14   4.854 -10.846 -10.846
  123    HZ2  TRP  14           HZ2      TRP  14   7.480  -6.912  -6.912
  124    HZ3  TRP  14           HZ3      TRP  14   7.213 -11.093 -11.093
  125    HH2  TRP  14           HH2      TRP  14   8.504  -9.160  -9.160
  126    H    GLY  15           H        GLY  15  -0.910  -7.909  -7.909
  127   1HA   GLY  15          1HA       GLY  15  -2.714  -8.929  -8.929
  128   2HA   GLY  15          2HA       GLY  15  -2.162 -10.531 -10.531
  129    H    GLY  16           H        GLY  16  -2.903  -7.839  -7.839
  130   1HA   GLY  16          1HA       GLY  16  -5.076  -9.468  -9.468
  131   2HA   GLY  16          2HA       GLY  16  -4.003  -8.274  -8.274
  132    H    THR  17           H        THR  17  -5.700  -7.413  -7.413
  133    HA   THR  17           HA       THR  17  -7.901  -5.924  -5.924
  134    HB   THR  17           HB       THR  17  -6.838  -4.595  -4.595
  135    HG1  THR  17           HG1      THR  17  -8.086  -7.146  -7.146
  136   1HG2  THR  17          1HG2      THR  17  -8.891  -3.910  -3.910
  137   2HG2  THR  17          2HG2      THR  17  -9.671  -5.450  -5.450
  138   3HG2  THR  17          3HG2      THR  17  -9.140  -4.394  -4.394
  139    HA   PRO  18           HA       PRO  18  -5.340  -2.996  -2.996
  140   1HB   PRO  18          1HB       PRO  18  -6.988  -0.697  -0.697
  141   2HB   PRO  18          2HB       PRO  18  -7.233  -2.191  -2.191
  142   1HG   PRO  18          1HG       PRO  18  -8.367  -1.559  -1.559
  143   2HG   PRO  18          2HG       PRO  18  -9.348  -1.862  -1.862
  144   1HD   PRO  18          1HD       PRO  18  -8.915  -3.971  -3.971
  145   2HD   PRO  18          2HD       PRO  18  -8.388  -4.199  -4.199
  146    H    CYS  19           H        CYS  19  -6.617  -1.739  -1.739
  147    HA   CYS  19           HA       CYS  19  -5.760  -0.432  -0.432
  148   1HB   CYS  19          1HB       CYS  19  -3.538   0.883   0.883
  149   2HB   CYS  19          2HB       CYS  19  -3.778   0.844   0.844
  150    H    CYS  20           H        CYS  20  -6.546   1.535   1.535
  151    HA   CYS  20           HA       CYS  20  -8.289   2.559   2.559
  152   1HB   CYS  20          1HB       CYS  20  -8.830   2.076   2.076
  153   2HB   CYS  20          2HB       CYS  20  -8.830   3.805   3.805
  154    H    ARG  21           H        ARG  21  -6.360   4.118   4.118
  155    HA   ARG  21           HA       ARG  21  -5.987   6.659   6.659
  156   1HB   ARG  21          1HB       ARG  21  -6.129   7.909   7.909
  157   2HB   ARG  21          2HB       ARG  21  -7.609   7.153   7.153
  158   1HG   ARG  21          1HG       ARG  21  -7.326   5.287   5.287
  159   2HG   ARG  21          2HG       ARG  21  -5.808   5.973   5.973
  160   1HD   ARG  21          1HD       ARG  21  -7.343   6.626   6.626
  161   2HD   ARG  21          2HD       ARG  21  -7.081   8.108   8.108
  162   1HH1  ARG  21          2HH2      ARG  21  -8.623   7.846   7.846
  163   2HH1  ARG  21          1HH2      ARG  21 -10.404   8.137   8.137
  164   1HH2  ARG  21          1HH1      ARG  21 -11.365   7.323   7.323
  165   2HH2  ARG  21          2HH1      ARG  21 -11.850   7.859   7.859
  166    H    GLY  22           H        GLY  22  -4.118   5.393   5.393
  167   1HA   GLY  22          1HA       GLY  22  -1.716   6.292   6.292
  168   2HA   GLY  22          2HA       GLY  22  -1.623   6.064   6.064
  169    H    ARG  23           H        ARG  23  -2.090   4.283   4.283
  170    HA   ARG  23           HA       ARG  23  -1.232   1.663   1.663
  171   1HB   ARG  23          1HB       ARG  23  -2.006   0.576   0.576
  172   2HB   ARG  23          2HB       ARG  23  -3.218   1.777   1.777
  173   1HG   ARG  23          1HG       ARG  23  -2.371   3.310   3.310
  174   2HG   ARG  23          2HG       ARG  23  -1.188   2.069   2.069
  175   1HD   ARG  23          1HD       ARG  23  -3.080   0.464   0.464
  176   2HD   ARG  23          2HD       ARG  23  -4.261   1.726   1.726
  177   1HH1  ARG  23          2HH2      ARG  23  -4.493  -0.032  -0.032
  178   2HH1  ARG  23          1HH2      ARG  23  -4.698   0.088   0.088
  179   1HH2  ARG  23          1HH1      ARG  23  -2.897   3.018   3.018
  180   2HH2  ARG  23          2HH1      ARG  23  -3.852   1.703   1.703
  181    H    GLY  24           H        GLY  24   0.030   0.278   0.278
  182   1HA   GLY  24          1HA       GLY  24   2.558   0.980   0.980
  183   2HA   GLY  24          2HA       GLY  24   2.805   1.195   1.195
  184    H    CYS  25           H        CYS  25   3.008  -0.353  -0.353
  185    HA   CYS  25           HA       CYS  25   2.768  -2.459  -2.459
  186   1HB   CYS  25          1HB       CYS  25   0.854  -3.272  -3.272
  187   2HB   CYS  25          2HB       CYS  25   1.977  -4.017  -4.017
  188    H    ILE  26           H        ILE  26   4.734  -2.431  -2.431
  189    HA   ILE  26           HA       ILE  26   6.785  -4.118  -4.118
  190    HB   ILE  26           HB       ILE  26   7.554  -2.016  -2.016
  191   1HG1  ILE  26          1HG1      ILE  26   6.980  -0.645  -0.645
  192   2HG1  ILE  26          2HG1      ILE  26   8.726  -0.704  -0.704
  193   1HG2  ILE  26          3HG2      ILE  26   9.242  -4.003  -4.003
  194   2HG2  ILE  26          1HG2      ILE  26   9.939  -2.551  -2.551
  195   3HG2  ILE  26          2HG2      ILE  26   9.052  -3.766  -3.766
  196   1HD1  ILE  26          2HD1      ILE  26   8.712  -2.329  -2.329
  197   2HD1  ILE  26          3HD1      ILE  26   6.936  -2.166  -2.166
  198   3HD1  ILE  26          1HD1      ILE  26   7.956  -0.752  -0.752
  199    H    CYS  27           H        CYS  27   7.669  -5.598  -5.598
  200    HA   CYS  27           HA       CYS  27   6.246  -6.073  -6.073
  201   1HB   CYS  27          1HB       CYS  27   6.557  -8.335  -8.335
  202   2HB   CYS  27          2HB       CYS  27   5.635  -8.141  -8.141
  203    H    SER  28           H        SER  28   7.158  -6.981  -6.981
  204    HA   SER  28           HA       SER  28   8.102  -8.454  -8.454
  205   1HB   SER  28          1HB       SER  28   7.867 -10.661 -10.661
  206   2HB   SER  28          2HB       SER  28   6.732  -9.949  -9.949
  207    HG   SER  28           HG       SER  28   7.783 -11.670 -11.670
  208    H    ILE  29           H        ILE  29   9.756  -9.711  -9.711
  209    HA   ILE  29           HA       ILE  29  12.467  -9.698  -9.698
  210    HB   ILE  29           HB       ILE  29  12.286  -9.065  -9.065
  211   1HG1  ILE  29          1HG1      ILE  29  12.509 -11.841 -11.841
  212   2HG1  ILE  29          2HG1      ILE  29  11.512 -11.678 -11.678
  213   1HG2  ILE  29          2HG2      ILE  29  14.612  -9.071  -9.071
  214   2HG2  ILE  29          3HG2      ILE  29  14.394 -10.699 -10.699
  215   3HG2  ILE  29          1HG2      ILE  29  14.364 -10.445 -10.445
  216   1HD1  ILE  29          2HD1      ILE  29   9.826 -10.338 -10.338
  217   2HD1  ILE  29          3HD1      ILE  29  10.898 -10.584 -10.584
  218   3HD1  ILE  29          1HD1      ILE  29  10.130 -11.981 -11.981
  219    H    MET  30           H        MET  30  11.123  -7.145  -7.145
  220    HA   MET  30           HA       MET  30  12.766  -5.259  -5.259
  221   1HB   MET  30          1HB       MET  30  14.005  -5.294  -5.294
  222   2HB   MET  30          2HB       MET  30  12.610  -4.389  -4.389
  223   1HG   MET  30          1HG       MET  30  13.153  -2.515  -2.515
  224   2HG   MET  30          2HG       MET  30  14.501  -3.481  -3.481
  225   1HE   MET  30          3HE       MET  30  13.271  -0.975  -0.975
  226   2HE   MET  30          2HE       MET  30  14.327  -1.267  -1.267
  227   3HE   MET  30          1HE       MET  30  13.044  -2.442  -2.442
  228    H    GLY  31           H        GLY  31   9.785  -5.770  -5.770
  229   1HA   GLY  31          1HA       GLY  31   7.864  -3.802  -3.802
  230   2HA   GLY  31          2HA       GLY  31   7.804  -5.147  -5.147
  231    H    THR  32           H        THR  32   8.893  -5.966  -5.966
  232    HA   THR  32           HA       THR  32   8.642  -6.821  -6.821
  233    HB   THR  32           HB       THR  32   9.037  -6.504  -6.504
  234    HG1  THR  32           HG1      THR  32   8.761  -3.679  -3.679
  235   1HG2  THR  32          2HG2      THR  32  11.033  -6.124  -6.124
  236   2HG2  THR  32          3HG2      THR  32  10.732  -4.400  -4.400
  237   3HG2  THR  32          1HG2      THR  32  11.343  -5.179  -5.179
  238    H    ASN  33           H        ASN  33   7.325  -7.872  -7.872
  239    HA   ASN  33           HA       ASN  33   5.528  -8.579  -8.579
  240   1HB   ASN  33          2HB       ASN  33   4.318  -9.907  -9.907
  241   2HB   ASN  33          1HB       ASN  33   5.662  -9.776  -9.776
  242   1HD2  ASN  33          1HD2      ASN  33   2.019  -9.246  -9.246
  243   2HD2  ASN  33          2HD2      ASN  33   2.317  -9.907  -9.907
  244    H    CYS  34           H        CYS  34   5.554  -6.976  -6.976
  245    HA   CYS  34           HA       CYS  34   5.178  -5.195  -5.195
  246   1HB   CYS  34          1HB       CYS  34   3.466  -7.193  -7.193
  247   2HB   CYS  34          2HB       CYS  34   2.422  -5.861  -5.861
  248    H    GLU  35           H        GLU  35   3.651  -3.852  -3.852
  249    HA   GLU  35           HA       GLU  35   2.178  -1.988  -1.988
  250   1HB   GLU  35          1HB       GLU  35   4.798  -0.838  -0.838
  251   2HB   GLU  35          2HB       GLU  35   3.708   0.097   0.097
  252   1HG   GLU  35          1HG       GLU  35   5.435  -2.210  -2.210
  253   2HG   GLU  35          2HG       GLU  35   5.991  -0.567  -0.567
  254    HE2  GLU  35           HE2      GLU  35   4.500   0.587   0.587
  255    H    CYS  36           H        CYS  36   0.874  -0.353  -0.353
  256    HA   CYS  36           HA       CYS  36   0.911  -0.575  -0.575
  257   1HB   CYS  36          1HB       CYS  36  -0.929   0.824   0.824
  258   2HB   CYS  36          2HB       CYS  36  -1.048   0.988   0.988
  259    H    LYS  37           H        LYS  37   3.077   0.353   0.353
  260    HA   LYS  37           HA       LYS  37   3.832   2.745   2.745
  261   1HB   LYS  37          1HB       LYS  37   5.372   0.998   0.998
  262   2HB   LYS  37          2HB       LYS  37   5.135   1.572   1.572
  263   1HG   LYS  37          1HG       LYS  37   6.134   3.842   3.842
  264   2HG   LYS  37          2HG       LYS  37   6.331   3.189   3.189
  265   1HD   LYS  37          1HD       LYS  37   8.489   3.028   3.028
  266   2HD   LYS  37          2HD       LYS  37   7.878   1.391   1.391
  267   1HE   LYS  37          1HE       LYS  37   9.007   1.665   1.665
  268   2HE   LYS  37          2HE       LYS  37   7.294   1.567   1.567
  269   1HZ   LYS  37          1HZ       LYS  37   8.351   3.320   3.320
  270   2HZ   LYS  37          2HZ       LYS  37   7.246   3.976   3.976
  271    HA   PRO  38           HA       PRO  38   1.282   5.591   5.591
  272   1HB   PRO  38          1HB       PRO  38   3.136   7.968   7.968
  273   2HB   PRO  38          2HB       PRO  38   1.772   7.720   7.720
  274   1HG   PRO  38          1HG       PRO  38   4.673   7.187   7.187
  275   2HG   PRO  38          2HG       PRO  38   3.406   7.340   7.340
  276   1HD   PRO  38          1HD       PRO  38   4.632   4.933   4.933
  277   2HD   PRO  38          2HD       PRO  38   2.941   4.995   4.995
  278    H    ARG  39           H        ARG  39   0.277   6.399   6.399
  279    HA   ARG  39           HA       ARG  39  -0.207   5.948   5.948
  280   1HB   ARG  39          1HB       ARG  39  -0.511   7.914   7.914
  281   2HB   ARG  39          2HB       ARG  39  -0.878   8.095   8.095
  282   1HG   ARG  39          1HG       ARG  39   1.600   9.275   9.275
  283   2HG   ARG  39          2HG       ARG  39   0.122  10.122  10.122
  284   1HD   ARG  39          1HD       ARG  39   0.574   9.672   9.672
  285   2HD   ARG  39          2HD       ARG  39   2.125   8.946   8.946
  286   1HH1  ARG  39          2HH2      ARG  39   2.320  10.115  10.115
  287   2HH1  ARG  39          1HH2      ARG  39   3.220  11.594  11.594
  288   1HH2  ARG  39          1HH1      ARG  39   3.033  13.230  13.230
  289   2HH2  ARG  39          2HH1      ARG  39   3.595  13.238  13.238
  290    H    LEU  40           H        LEU  40   0.703   4.537   4.537
  291    HA   LEU  40           HA       LEU  40   2.795   5.098   5.098
  292   1HB   LEU  40          1HB       LEU  40   3.471   3.184   3.184
  293   2HB   LEU  40          2HB       LEU  40   2.170   2.270   2.270
  294    HG   LEU  40           HG       LEU  40   3.388   2.979   2.979
  295   1HD1  LEU  40          2HD1      LEU  40   5.098   4.504   4.504
  296   2HD1  LEU  40          3HD1      LEU  40   5.756   3.141   3.141
  297   3HD1  LEU  40          1HD1      LEU  40   5.886   3.157   3.157
  298   1HD2  LEU  40          2HD2      LEU  40   4.526   0.789   0.789
  299   2HD2  LEU  40          3HD2      LEU  40   3.141   0.603   0.603
  300   3HD2  LEU  40          1HD2      LEU  40   4.769   0.845   0.845
  301    H    ILE  41           H        ILE  41   1.698   5.368   5.368
  302    HA   ILE  41           HA       ILE  41  -1.101   4.198   4.198
  303    HB   ILE  41           HB       ILE  41  -0.404   7.049   7.049
  304   1HG1  ILE  41          1HG1      ILE  41  -0.570   6.983   6.983
  305   2HG1  ILE  41          2HG1      ILE  41  -1.934   7.828   7.828
  306   1HG2  ILE  41          2HG2      ILE  41  -2.077   6.113   6.113
  307   2HG2  ILE  41          3HG2      ILE  41  -3.099   5.567   5.567
  308   3HG2  ILE  41          1HG2      ILE  41  -2.842   7.307   7.307
  309   1HD1  ILE  41          1HD1      ILE  41  -2.025   4.946   4.946
  310   2HD1  ILE  41          2HD1      ILE  41  -2.633   6.412   6.412
  311   3HD1  ILE  41          3HD1      ILE  41  -3.424   5.812   5.812
  312    H    MET  42           H        MET  42   0.625   5.958   5.958
  313    HA   MET  42           HA       MET  42   1.210   3.897   3.897
  314   1HB   MET  42          1HB       MET  42  -0.211   5.932   5.932
  315   2HB   MET  42          2HB       MET  42   1.199   6.951   6.951
  316   1HG   MET  42          1HG       MET  42   2.405   5.688   5.688
  317   2HG   MET  42          2HG       MET  42   1.016   4.588   4.588
  318   1HE   MET  42          1HE       MET  42   2.278   6.344   6.344
  319   2HE   MET  42          3HE       MET  42   0.895   5.223   5.223
  320   3HE   MET  42          2HE       MET  42   0.782   6.906   6.906
  321    H    GLU  43           H        GLU  43   2.924   5.841   5.841
  322    HA   GLU  43           HA       GLU  43   5.450   6.025   6.025
  323   1HB   GLU  43          1HB       GLU  43   4.136   5.763   5.763
  324   2HB   GLU  43          2HB       GLU  43   5.795   6.053   6.053
  325   1HG   GLU  43          1HG       GLU  43   5.281   8.218   8.218
  326   2HG   GLU  43          2HG       GLU  43   3.581   7.939   7.939
  327    HE1  GLU  43           HE2      GLU  43   6.036   9.274   9.274
  328    H    GLY  44           H        GLY  44   4.217   3.370   3.370
  329   1HA   GLY  44          1HA       GLY  44   6.620   1.716   1.716
  330   2HA   GLY  44          2HA       GLY  44   6.105   1.413   1.413
  331    H    LEU  45           H        LEU  45   3.708   0.820   0.820
  332    HA   LEU  45           HA       LEU  45   2.676  -0.892  -0.892
  333   1HB   LEU  45          1HB       LEU  45   3.186  -2.170  -2.170
  334   2HB   LEU  45          2HB       LEU  45   2.189  -2.820  -2.820
  335    HG   LEU  45           HG       LEU  45   4.432  -2.653  -2.653
  336   1HD1  LEU  45          3HD2      LEU  45   5.894  -1.581  -1.581
  337   2HD1  LEU  45          1HD2      LEU  45   5.596  -2.954  -2.954
  338   3HD1  LEU  45          2HD2      LEU  45   6.492  -3.186  -3.186
  339   1HD2  LEU  45          3HD1      LEU  45   3.183  -4.759  -4.759
  340   2HD2  LEU  45          1HD1      LEU  45   4.931  -5.028  -5.028
  341   3HD2  LEU  45          2HD1      LEU  45   3.954  -4.887  -4.887
  342    H    GLY  46           H        GLY  46   1.773  -0.766  -0.766
  343   1HA   GLY  46          1HA       GLY  46  -0.249   1.242   1.242
  344   2HA   GLY  46          2HA       GLY  46  -1.063  -0.163  -0.163
  345    H    LEU  47           H        LEU  47  -1.494  -1.905  -1.905
  346    HA   LEU  47           HA       LEU  47  -1.452  -1.387  -1.387
  347   1HB   LEU  47          1HB       LEU  47  -3.165  -2.965  -2.965
  348   2HB   LEU  47          2HB       LEU  47  -3.587  -1.870  -1.870
  349    HG   LEU  47           HG       LEU  47  -2.629  -3.951  -3.951
  350   1HD1  LEU  47          1HD1      LEU  47  -2.127  -5.464  -5.464
  351   2HD1  LEU  47          2HD1      LEU  47  -3.826  -5.370  -5.370
  352   3HD1  LEU  47          3HD1      LEU  47  -3.391  -6.145  -6.145
  353   1HD2  LEU  47          3HD2      LEU  47  -4.871  -2.873  -2.873
  354   2HD2  LEU  47          1HD2      LEU  47  -4.993  -4.639  -4.639
  355   3HD2  LEU  47          2HD2      LEU  47  -5.493  -3.807  -3.807
  356    H    ALA  48           H        ALA  48   0.026  -3.744  -3.744
  357    HA   ALA  48           HA       ALA  48   1.193  -5.260  -5.260
  358   1HB   ALA  48          2HB       ALA  48   0.027  -6.682  -6.682
  359   2HB   ALA  48          3HB       ALA  48   1.103  -6.101  -6.101
  360   3HB   ALA  48          1HB       ALA  48   1.760  -7.053  -7.053
  361    HXT  ALA  48           HO        OH  49   3.858  -3.776  -3.776

  Start of MODEL   16
    1   1H    LYS   1          1H        LYS   1 -10.749  -2.560  -2.560
    2   2H    LYS   1          2H        LYS   1 -11.803  -1.382  -1.382
    3   3H    LYS   1          3H        LYS   1 -10.206  -1.022  -1.022
    4    HA   LYS   1           HA       LYS   1 -10.326  -1.438  -1.438
    5   1HB   LYS   1          1HB       LYS   1 -10.696   0.860   0.860
    6   2HB   LYS   1          2HB       LYS   1 -12.409   0.560   0.560
    7   1HG   LYS   1          1HG       LYS   1 -12.027   1.931   1.931
    8   2HG   LYS   1          2HG       LYS   1 -12.767   0.415   0.415
    9   1HD   LYS   1          1HD       LYS   1 -11.090   1.048   1.048
   10   2HD   LYS   1          2HD       LYS   1 -10.643  -0.455  -0.455
   11   1HE   LYS   1          1HE       LYS   1  -8.627   0.854   0.854
   12   2HE   LYS   1          2HE       LYS   1  -8.927   0.764   0.764
   13   1HZ   LYS   1          1HZ       LYS   1  -8.317   2.978   2.978
   14   2HZ   LYS   1          2HZ       LYS   1  -9.562   3.065   3.065
   15    H    LYS   2           H        LYS   2 -11.081  -3.064  -3.064
   16    HA   LYS   2           HA       LYS   2 -14.026  -3.892  -3.892
   17   1HB   LYS   2          1HB       LYS   2 -13.426  -6.026  -6.026
   18   2HB   LYS   2          2HB       LYS   2 -12.779  -5.752  -5.752
   19   1HG   LYS   2          1HG       LYS   2 -10.488  -5.323  -5.323
   20   2HG   LYS   2          2HG       LYS   2 -11.098  -5.566  -5.566
   21   1HD   LYS   2          1HD       LYS   2 -11.794  -7.927  -7.927
   22   2HD   LYS   2          2HD       LYS   2 -11.146  -7.686  -7.686
   23   1HE   LYS   2          1HE       LYS   2  -8.838  -7.259  -7.259
   24   2HE   LYS   2          2HE       LYS   2  -9.492  -7.518  -7.518
   25   1HZ   LYS   2          1HZ       LYS   2  -9.523  -9.528  -9.528
   26   2HZ   LYS   2          2HZ       LYS   2 -10.119  -9.764  -9.764
   27    H    LYS   3           H        LYS   3 -11.937  -4.374  -4.374
   28    HA   LYS   3           HA       LYS   3 -13.256  -2.103  -2.103
   29   1HB   LYS   3          1HB       LYS   3 -13.515  -5.003  -5.003
   30   2HB   LYS   3          2HB       LYS   3 -13.760  -3.590  -3.590
   31   1HG   LYS   3          1HG       LYS   3 -15.473  -4.292  -4.292
   32   2HG   LYS   3          2HG       LYS   3 -15.864  -4.682  -4.682
   33   1HD   LYS   3          1HD       LYS   3 -15.925  -2.208  -2.208
   34   2HD   LYS   3          2HD       LYS   3 -15.531  -1.813  -1.813
   35   1HE   LYS   3          1HE       LYS   3 -17.893  -1.499  -1.499
   36   2HE   LYS   3          2HE       LYS   3 -17.676  -2.939  -2.939
   37   1HZ   LYS   3          1HZ       LYS   3 -19.381  -3.213  -3.213
   38   2HZ   LYS   3          2HZ       LYS   3 -18.341  -2.887  -2.887
   39    H    CYS   4           H        CYS   4 -11.223  -1.211  -1.211
   40    HA   CYS   4           HA       CYS   4  -8.640  -2.066  -2.066
   41   1HB   CYS   4          2HB       CYS   4  -8.412   0.180   0.180
   42   2HB   CYS   4          1HB       CYS   4  -9.372   0.323   0.323
   43    H    ILE   5           H        ILE   5  -7.269  -0.810  -0.810
   44    HA   ILE   5           HA       ILE   5  -6.826  -2.364  -2.364
   45    HB   ILE   5           HB       ILE   5  -5.321  -0.198  -0.198
   46   1HG1  ILE   5          1HG1      ILE   5  -5.381  -2.421  -2.421
   47   2HG1  ILE   5          2HG1      ILE   5  -3.779  -1.835  -1.835
   48   1HG2  ILE   5          2HG2      ILE   5  -4.670   0.125   0.125
   49   2HG2  ILE   5          3HG2      ILE   5  -4.084  -1.553  -1.553
   50   3HG2  ILE   5          1HG2      ILE   5  -3.346  -0.373  -0.373
   51   1HD1  ILE   5          2HD1      ILE   5  -5.225  -4.072  -4.072
   52   2HD1  ILE   5          3HD1      ILE   5  -3.915  -4.254  -4.254
   53   3HD1  ILE   5          1HD1      ILE   5  -3.585  -3.456  -3.456
   54    H    ALA   6           H        ALA   6  -7.335   1.030   1.030
   55    HA   ALA   6           HA       ALA   6  -8.061   2.969   2.969
   56   1HB   ALA   6          2HB       ALA   6 -10.092   1.766   1.766
   57   2HB   ALA   6          3HB       ALA   6  -9.330   1.314   1.314
   58   3HB   ALA   6          1HB       ALA   6  -9.635   3.028   3.028
   59    H    LYS   7           H        LYS   7  -5.577   2.679   2.679
   60    HA   LYS   7           HA       LYS   7  -4.572   4.310   4.310
   61   1HB   LYS   7          1HB       LYS   7  -4.742   2.167   2.167
   62   2HB   LYS   7          2HB       LYS   7  -3.735   1.324   1.324
   63   1HG   LYS   7          1HG       LYS   7  -1.751   2.621   2.621
   64   2HG   LYS   7          2HG       LYS   7  -2.725   3.792   3.792
   65   1HD   LYS   7          1HD       LYS   7  -1.680   2.431   2.431
   66   2HD   LYS   7          2HD       LYS   7  -3.406   2.041   2.041
   67   1HE   LYS   7          1HE       LYS   7  -2.806  -0.076  -0.076
   68   2HE   LYS   7          2HE       LYS   7  -1.105   0.361   0.361
   69   1HZ   LYS   7          1HZ       LYS   7  -1.825  -1.203  -1.203
   70   2HZ   LYS   7          2HZ       LYS   7  -1.451   0.209   0.209
   71    H    ASP   8           H        ASP   8  -2.982   5.410   5.410
   72    HA   ASP   8           HA       ASP   8  -1.454   4.397   4.397
   73   1HB   ASP   8          1HB       ASP   8   0.086   6.365   6.365
   74   2HB   ASP   8          2HB       ASP   8  -1.535   6.739   6.739
   75    HD2  ASP   8           HD2      ASP   8   0.222   8.152   8.152
   76    H    TYR   9           H        TYR   9   0.046   2.674   2.674
   77    HA   TYR   9           HA       TYR   9   1.975   1.815   1.815
   78   1HB   TYR   9          2HB       TYR   9   3.034   2.948   2.948
   79   2HB   TYR   9          1HB       TYR   9   3.687   2.760   2.760
   80    HD1  TYR   9           HD2      TYR   9   2.213   4.782   4.782
   81    HD2  TYR   9           HD1      TYR   9   3.720   5.171   5.171
   82    HE1  TYR   9           HE2      TYR   9   2.897   7.030   7.030
   83    HE2  TYR   9           HE1      TYR   9   4.418   7.460   7.460
   84    HH   TYR   9           HH       TYR   9   4.456   9.095   9.095
   85    H    GLY  10           H        GLY  10   0.935   0.439   0.439
   86   1HA   GLY  10          1HA       GLY  10  -0.077  -0.697  -0.697
   87   2HA   GLY  10          2HA       GLY  10  -1.378  -0.005  -0.005
   88    H    ARG  11           H        ARG  11   0.401  -2.553  -2.553
   89    HA   ARG  11           HA       ARG  11   0.638  -4.502  -4.502
   90   1HB   ARG  11          1HB       ARG  11  -0.356  -4.730  -4.730
   91   2HB   ARG  11          2HB       ARG  11  -1.981  -4.783  -4.783
   92   1HG   ARG  11          1HG       ARG  11  -1.036  -6.997  -6.997
   93   2HG   ARG  11          2HG       ARG  11  -1.680  -7.020  -7.020
   94   1HD   ARG  11          1HD       ARG  11   0.609  -6.941  -6.941
   95   2HD   ARG  11          2HD       ARG  11   1.326  -6.681  -6.681
   96   1HH1  ARG  11          2HH2      ARG  11  -0.133  -8.533  -8.533
   97   2HH1  ARG  11          1HH2      ARG  11  -0.117 -10.355 -10.355
   98   1HH2  ARG  11          1HH1      ARG  11   0.894 -10.952 -10.952
   99   2HH2  ARG  11          2HH1      ARG  11   0.428 -11.637 -11.637
  100    H    CYS  12           H        CYS  12   0.603  -3.985  -3.985
  101    HA   CYS  12           HA       CYS  12  -1.675  -4.760  -4.760
  102   1HB   CYS  12          2HB       CYS  12  -0.794  -3.767  -3.767
  103   2HB   CYS  12          1HB       CYS  12  -0.374  -2.701  -2.701
  104    H    LYS  13           H        LYS  13  -1.153  -5.868  -5.868
  105    HA   LYS  13           HA       LYS  13   0.803  -8.142  -8.142
  106   1HB   LYS  13          1HB       LYS  13  -1.372  -9.025  -9.025
  107   2HB   LYS  13          2HB       LYS  13  -2.188  -8.766  -8.766
  108   1HG   LYS  13          1HG       LYS  13  -0.571 -10.433 -10.433
  109   2HG   LYS  13          2HG       LYS  13   0.214 -10.662 -10.662
  110   1HD   LYS  13          1HD       LYS  13  -1.975 -11.489 -11.489
  111   2HD   LYS  13          2HD       LYS  13  -2.746 -11.199 -11.199
  112   1HE   LYS  13          1HE       LYS  13  -1.170 -12.887 -12.887
  113   2HE   LYS  13          2HE       LYS  13  -0.433 -13.199 -13.199
  114   1HZ   LYS  13          1HZ       LYS  13  -2.133 -14.808 -14.808
  115   2HZ   LYS  13          2HZ       LYS  13  -3.278 -13.653 -13.653
  116    H    TRP  14           H        TRP  14   1.066  -9.168  -9.168
  117    HA   TRP  14           HA       TRP  14   0.453  -7.484  -7.484
  118   1HB   TRP  14          1HB       TRP  14   2.753  -9.474  -9.474
  119   2HB   TRP  14          2HB       TRP  14   2.343  -8.606  -8.606
  120    HD1  TRP  14           HD1      TRP  14   1.991  -5.551  -5.551
  121    HE1  TRP  14           HE1      TRP  14   4.205  -4.300  -4.300
  122    HE3  TRP  14           HE3      TRP  14   5.182  -9.549  -9.549
  123    HZ2  TRP  14           HZ2      TRP  14   6.951  -5.061  -5.061
  124    HZ3  TRP  14           HZ3      TRP  14   7.594  -9.200  -9.200
  125    HH2  TRP  14           HH2      TRP  14   8.464  -6.991  -6.991
  126    H    GLY  15           H        GLY  15  -1.494  -8.304  -8.304
  127   1HA   GLY  15          1HA       GLY  15  -2.938 -10.042 -10.042
  128   2HA   GLY  15          2HA       GLY  15  -1.947 -11.316 -11.316
  129    H    GLY  16           H        GLY  16  -3.515  -8.409  -8.409
  130   1HA   GLY  16          1HA       GLY  16  -5.508 -10.018 -10.018
  131   2HA   GLY  16          2HA       GLY  16  -4.240  -9.105  -9.105
  132    H    THR  17           H        THR  17  -5.703  -7.919  -7.919
  133    HA   THR  17           HA       THR  17  -7.641  -6.059  -6.059
  134    HB   THR  17           HB       THR  17  -6.200  -4.600  -4.600
  135    HG1  THR  17           HG1      THR  17  -7.315  -7.154  -7.154
  136   1HG2  THR  17          3HG2      THR  17  -9.085  -5.498  -5.498
  137   2HG2  THR  17          1HG2      THR  17  -8.341  -4.436  -4.436
  138   3HG2  THR  17          2HG2      THR  17  -8.342  -3.979  -3.979
  139    HA   PRO  18           HA       PRO  18  -4.799  -2.933  -2.933
  140   1HB   PRO  18          1HB       PRO  18  -6.597  -0.921  -0.921
  141   2HB   PRO  18          2HB       PRO  18  -6.808  -2.472  -2.472
  142   1HG   PRO  18          1HG       PRO  18  -7.992  -1.701  -1.701
  143   2HG   PRO  18          2HG       PRO  18  -8.943  -1.990  -1.990
  144   1HD   PRO  18          1HD       PRO  18  -8.533  -4.107  -4.107
  145   2HD   PRO  18          2HD       PRO  18  -8.082  -4.355  -4.355
  146    H    CYS  19           H        CYS  19  -5.869  -0.351  -0.351
  147    HA   CYS  19           HA       CYS  19  -5.329  -0.087  -0.087
  148   1HB   CYS  19          1HB       CYS  19  -3.417   1.594   1.594
  149   2HB   CYS  19          2HB       CYS  19  -3.580   1.634   1.634
  150    H    CYS  20           H        CYS  20  -6.179   1.721   1.721
  151    HA   CYS  20           HA       CYS  20  -8.399   2.723   2.723
  152   1HB   CYS  20          1HB       CYS  20  -8.250   1.916   1.916
  153   2HB   CYS  20          2HB       CYS  20  -8.541   3.577   3.577
  154    H    ARG  21           H        ARG  21  -6.182   4.285   4.285
  155    HA   ARG  21           HA       ARG  21  -6.403   7.009   7.009
  156   1HB   ARG  21          1HB       ARG  21  -6.554   8.073   8.073
  157   2HB   ARG  21          2HB       ARG  21  -7.954   7.132   7.132
  158   1HG   ARG  21          1HG       ARG  21  -7.291   5.269   5.269
  159   2HG   ARG  21          2HG       ARG  21  -5.815   6.117   6.117
  160   1HD   ARG  21          1HD       ARG  21  -7.207   8.031   8.031
  161   2HD   ARG  21          2HD       ARG  21  -8.684   7.152   7.152
  162   1HH1  ARG  21          2HH2      ARG  21  -9.118   8.236   8.236
  163   2HH1  ARG  21          1HH2      ARG  21  -9.446   7.810   7.810
  164   1HH2  ARG  21          1HH1      ARG  21  -7.411   5.032   5.032
  165   2HH2  ARG  21          2HH1      ARG  21  -8.543   6.117   6.117
  166    H    GLY  22           H        GLY  22  -4.450   6.328   6.328
  167   1HA   GLY  22          1HA       GLY  22  -2.073   7.312   7.312
  168   2HA   GLY  22          2HA       GLY  22  -1.920   6.930   6.930
  169    H    ARG  23           H        ARG  23  -1.280   5.818   5.818
  170    HA   ARG  23           HA       ARG  23  -1.018   2.909   2.909
  171   1HB   ARG  23          1HB       ARG  23  -2.143   2.104   2.104
  172   2HB   ARG  23          2HB       ARG  23  -3.145   3.344   3.344
  173   1HG   ARG  23          1HG       ARG  23  -2.387   4.969   4.969
  174   2HG   ARG  23          2HG       ARG  23  -1.547   3.638   3.638
  175   1HD   ARG  23          1HD       ARG  23  -4.571   3.698   3.698
  176   2HD   ARG  23          2HD       ARG  23  -3.896   4.133   4.133
  177   1HH1  ARG  23          2HH2      ARG  23  -6.191   2.765   2.765
  178   2HH1  ARG  23          1HH2      ARG  23  -6.874   1.135   1.135
  179   1HH2  ARG  23          1HH1      ARG  23  -3.767  -0.249  -0.249
  180   2HH2  ARG  23          2HH1      ARG  23  -5.590  -0.456  -0.456
  181    H    GLY  24           H        GLY  24  -0.181   1.579   1.579
  182   1HA   GLY  24          1HA       GLY  24   2.206   1.961   1.961
  183   2HA   GLY  24          2HA       GLY  24   2.729   2.094   2.094
  184    H    CYS  25           H        CYS  25   2.364   0.583   0.583
  185    HA   CYS  25           HA       CYS  25   2.152  -1.605  -1.605
  186   1HB   CYS  25          1HB       CYS  25   0.319  -2.504  -2.504
  187   2HB   CYS  25          2HB       CYS  25   1.438  -2.997  -2.997
  188    H    ILE  26           H        ILE  26   4.106  -1.734  -1.734
  189    HA   ILE  26           HA       ILE  26   6.152  -3.173  -3.173
  190    HB   ILE  26           HB       ILE  26   6.894  -0.857  -0.857
  191   1HG1  ILE  26          1HG1      ILE  26   6.054   0.083   0.083
  192   2HG1  ILE  26          2HG1      ILE  26   7.762   0.399   0.399
  193   1HG2  ILE  26          3HG2      ILE  26   8.656  -2.884  -2.884
  194   2HG2  ILE  26          1HG2      ILE  26   9.289  -1.272  -1.272
  195   3HG2  ILE  26          2HG2      ILE  26   8.593  -2.380  -2.380
  196   1HD1  ILE  26          3HD1      ILE  26   6.605  -1.751  -1.751
  197   2HD1  ILE  26          1HD1      ILE  26   7.181  -0.139  -0.139
  198   3HD1  ILE  26          2HD1      ILE  26   8.329  -1.339  -1.339
  199    H    CYS  27           H        CYS  27   7.523  -4.361  -4.361
  200    HA   CYS  27           HA       CYS  27   6.216  -5.439  -5.439
  201   1HB   CYS  27          1HB       CYS  27   8.429  -6.791  -6.791
  202   2HB   CYS  27          2HB       CYS  27   7.681  -7.364  -7.364
  203    H    SER  28           H        SER  28   7.368  -5.953  -5.953
  204    HA   SER  28           HA       SER  28   9.382  -3.991  -3.991
  205   1HB   SER  28          1HB       SER  28   6.495  -4.318  -4.318
  206   2HB   SER  28          2HB       SER  28   7.689  -3.225  -3.225
  207    HG   SER  28           HG       SER  28   6.447  -3.210  -3.210
  208    H    ILE  29           H        ILE  29   9.186  -4.204  -4.204
  209    HA   ILE  29           HA       ILE  29  10.443  -5.474  -5.474
  210    HB   ILE  29           HB       ILE  29   7.690  -6.746  -6.746
  211   1HG1  ILE  29          1HG1      ILE  29   7.795  -4.705  -4.705
  212   2HG1  ILE  29          2HG1      ILE  29   8.739  -3.948  -3.948
  213   1HG2  ILE  29          2HG2      ILE  29   9.399  -7.884  -7.884
  214   2HG2  ILE  29          3HG2      ILE  29   9.959  -6.319  -6.319
  215   3HG2  ILE  29          1HG2      ILE  29   8.322  -6.914  -6.914
  216   1HD1  ILE  29          1HD1      ILE  29   6.723  -4.301  -4.301
  217   2HD1  ILE  29          2HD1      ILE  29   5.838  -5.000  -5.000
  218   3HD1  ILE  29          3HD1      ILE  29   6.358  -3.299  -3.299
  219    H    MET  30           H        MET  30  11.555  -6.301  -6.301
  220    HA   MET  30           HA       MET  30  13.175  -8.028  -8.028
  221   1HB   MET  30          1HB       MET  30  11.208 -10.296 -10.296
  222   2HB   MET  30          2HB       MET  30  12.891 -10.429 -10.429
  223   1HG   MET  30          1HG       MET  30  11.801  -9.454  -9.454
  224   2HG   MET  30          2HG       MET  30  12.660 -10.949 -10.949
  225   1HE   MET  30          1HE       MET  30  13.464  -8.739  -8.739
  226   2HE   MET  30          3HE       MET  30  14.348 -10.284 -10.284
  227   3HE   MET  30          2HE       MET  30  15.245  -8.737  -8.737
  228    H    GLY  31           H        GLY  31  10.143  -7.196  -7.196
  229   1HA   GLY  31          1HA       GLY  31   9.555  -7.430  -7.430
  230   2HA   GLY  31          2HA       GLY  31  10.893  -8.516  -8.516
  231    H    THR  32           H        THR  32   8.070  -8.386  -8.386
  232    HA   THR  32           HA       THR  32   7.244 -11.237 -11.237
  233    HB   THR  32           HB       THR  32   8.384 -10.129 -10.129
  234    HG1  THR  32           HG1      THR  32   9.864 -10.844 -10.844
  235   1HG2  THR  32          3HG2      THR  32   7.274 -12.975 -12.975
  236   2HG2  THR  32          1HG2      THR  32   8.194 -12.359 -12.359
  237   3HG2  THR  32          2HG2      THR  32   6.588 -11.693 -11.693
  238    H    ASN  33           H        ASN  33   6.765  -8.532  -8.532
  239    HA   ASN  33           HA       ASN  33   3.851  -8.784  -8.784
  240   1HB   ASN  33          2HB       ASN  33   5.726  -7.527  -7.527
  241   2HB   ASN  33          1HB       ASN  33   5.561  -6.277  -6.277
  242   1HD2  ASN  33          1HD2      ASN  33   2.548  -6.811  -6.811
  243   2HD2  ASN  33          2HD2      ASN  33   3.721  -8.167  -8.167
  244    H    CYS  34           H        CYS  34   4.995  -6.369  -6.369
  245    HA   CYS  34           HA       CYS  34   5.285  -5.046  -5.046
  246   1HB   CYS  34          1HB       CYS  34   3.001  -6.465  -6.465
  247   2HB   CYS  34          2HB       CYS  34   3.894  -5.440  -5.440
  248    H    GLU  35           H        GLU  35   3.627  -3.469  -3.469
  249    HA   GLU  35           HA       GLU  35   1.558  -2.451  -2.451
  250   1HB   GLU  35          1HB       GLU  35   4.435  -1.304  -1.304
  251   2HB   GLU  35          2HB       GLU  35   3.083  -0.254  -0.254
  252   1HG   GLU  35          1HG       GLU  35   2.416  -1.827  -1.827
  253   2HG   GLU  35          2HG       GLU  35   3.879  -2.758  -2.758
  254    HE2  GLU  35           HE2      GLU  35   6.015  -0.622  -0.622
  255    H    CYS  36           H        CYS  36   0.524  -0.527  -0.527
  256    HA   CYS  36           HA       CYS  36   0.645  -0.002  -0.002
  257   1HB   CYS  36          1HB       CYS  36  -0.786   1.383   1.383
  258   2HB   CYS  36          2HB       CYS  36  -0.980   1.830   1.830
  259    H    LYS  37           H        LYS  37   2.951   0.289   0.289
  260    HA   LYS  37           HA       LYS  37   4.783   1.128   1.128
  261   1HB   LYS  37          1HB       LYS  37   4.351   1.846   1.846
  262   2HB   LYS  37          2HB       LYS  37   3.448   3.268   3.268
  263   1HG   LYS  37          1HG       LYS  37   5.442   4.525   4.525
  264   2HG   LYS  37          2HG       LYS  37   6.496   3.134   3.134
  265   1HD   LYS  37          1HD       LYS  37   4.865   4.298   4.298
  266   2HD   LYS  37          2HD       LYS  37   6.489   4.826   4.826
  267   1HE   LYS  37          1HE       LYS  37   7.388   2.481   2.481
  268   2HE   LYS  37          2HE       LYS  37   5.765   1.933   1.933
  269   1HZ   LYS  37          1HZ       LYS  37   5.771   3.551   3.551
  270   2HZ   LYS  37          2HZ       LYS  37   7.278   4.049   4.049
  271    HA   PRO  38           HA       PRO  38   5.613   4.024   4.024
  272   1HB   PRO  38          1HB       PRO  38   7.318   2.426   2.426
  273   2HB   PRO  38          2HB       PRO  38   5.579   2.160   2.160
  274   1HG   PRO  38          1HG       PRO  38   7.716   0.685   0.685
  275   2HG   PRO  38          2HG       PRO  38   6.341  -0.004  -0.004
  276   1HD   PRO  38          1HD       PRO  38   6.365   0.494   0.494
  277   2HD   PRO  38          2HD       PRO  38   4.850   0.460   0.460
  278    H    ARG  39           H        ARG  39   8.116   2.344   2.344
  279    HA   ARG  39           HA       ARG  39  10.219   2.936   2.936
  280   1HB   ARG  39          1HB       ARG  39  10.106   5.705   5.705
  281   2HB   ARG  39          2HB       ARG  39  11.373   5.114   5.114
  282   1HG   ARG  39          1HG       ARG  39   8.474   5.583   5.583
  283   2HG   ARG  39          2HG       ARG  39   9.828   6.683   6.683
  284   1HD   ARG  39          1HD       ARG  39  11.047   4.860   4.860
  285   2HD   ARG  39          2HD       ARG  39   9.595   3.850   3.850
  286   1HH1  ARG  39          2HH2      ARG  39  10.654   3.582   3.582
  287   2HH1  ARG  39          1HH2      ARG  39  10.283   3.941   3.941
  288   1HH2  ARG  39          1HH1      ARG  39   8.440   6.758   6.758
  289   2HH2  ARG  39          2HH1      ARG  39   9.113   5.619   5.619
  290    H    LEU  40           H        LEU  40  12.281   2.969   2.969
  291    HA   LEU  40           HA       LEU  40  12.923   0.896   0.896
  292   1HB   LEU  40          1HB       LEU  40  14.608   2.723   2.723
  293   2HB   LEU  40          2HB       LEU  40  14.635   3.148   3.148
  294    HG   LEU  40           HG       LEU  40  15.150   0.570   0.570
  295   1HD1  LEU  40          3HD1      LEU  40  14.645  -0.284  -0.284
  296   2HD1  LEU  40          1HD1      LEU  40  15.951   0.717   0.717
  297   3HD1  LEU  40          2HD1      LEU  40  16.322  -0.609  -0.609
  298   1HD2  LEU  40          3HD2      LEU  40  16.836   2.415   2.415
  299   2HD2  LEU  40          1HD2      LEU  40  17.605   0.945   0.945
  300   3HD2  LEU  40          2HD2      LEU  40  17.306   2.329   2.329
  301    H    ILE  41           H        ILE  41  12.347  -0.225  -0.225
  302    HA   ILE  41           HA       ILE  41  12.585   0.115   0.115
  303    HB   ILE  41           HB       ILE  41  10.478   1.362   1.362
  304   1HG1  ILE  41          1HG1      ILE  41   9.988  -1.237  -1.237
  305   2HG1  ILE  41          2HG1      ILE  41  11.083   0.033   0.033
  306   1HG2  ILE  41          2HG2      ILE  41   9.421   0.158   0.158
  307   2HG2  ILE  41          3HG2      ILE  41   9.009  -1.203  -1.203
  308   3HG2  ILE  41          1HG2      ILE  41   8.305   0.402   0.402
  309   1HD1  ILE  41          1HD1      ILE  41   9.162   1.692   1.692
  310   2HD1  ILE  41          2HD1      ILE  41   8.039   0.374   0.374
  311   3HD1  ILE  41          3HD1      ILE  41   8.944   0.306   0.306
  312    H    MET  42           H        MET  42  13.914  -1.441  -1.441
  313    HA   MET  42           HA       MET  42  14.734  -3.581  -3.581
  314   1HB   MET  42          1HB       MET  42  12.549  -4.707  -4.707
  315   2HB   MET  42          2HB       MET  42  13.834  -5.644  -5.644
  316   1HG   MET  42          1HG       MET  42  15.575  -4.286  -4.286
  317   2HG   MET  42          2HG       MET  42  14.273  -3.378  -3.378
  318   1HE   MET  42          3HE       MET  42  16.509  -4.995  -4.995
  319   2HE   MET  42          2HE       MET  42  15.167  -4.125  -4.125
  320   3HE   MET  42          1HE       MET  42  15.520  -5.825  -5.825
  321    H    GLU  43           H        GLU  43  13.846  -2.590  -2.590
  322    HA   GLU  43           HA       GLU  43  11.728  -4.174  -4.174
  323   1HB   GLU  43          1HB       GLU  43  10.974  -2.141  -2.141
  324   2HB   GLU  43          2HB       GLU  43  12.492  -1.296  -1.296
  325   1HG   GLU  43          1HG       GLU  43  12.406  -1.517  -1.517
  326   2HG   GLU  43          2HG       GLU  43  10.857  -2.377  -2.377
  327    HE2  GLU  43           HE2      GLU  43  10.836   1.523   1.523
  328    H    GLY  44           H        GLY  44  13.617  -2.336  -2.336
  329   1HA   GLY  44          1HA       GLY  44  15.011  -4.294  -4.294
  330   2HA   GLY  44          2HA       GLY  44  15.390  -2.585  -2.585
  331    H    LEU  45           H        LEU  45  16.545  -2.011  -2.011
  332    HA   LEU  45           HA       LEU  45  19.127  -3.663  -3.663
  333   1HB   LEU  45          1HB       LEU  45  18.816  -0.720  -0.720
  334   2HB   LEU  45          2HB       LEU  45  20.278  -1.659  -1.659
  335    HG   LEU  45           HG       LEU  45  20.499  -0.249  -0.249
  336   1HD1  LEU  45          3HD1      LEU  45  21.429  -2.541  -2.541
  337   2HD1  LEU  45          1HD1      LEU  45  19.939  -3.010  -3.010
  338   3HD1  LEU  45          2HD1      LEU  45  20.988  -1.734  -1.734
  339   1HD2  LEU  45          3HD2      LEU  45  18.087   0.285   0.285
  340   2HD2  LEU  45          1HD2      LEU  45  19.042   0.012   0.012
  341   3HD2  LEU  45          2HD2      LEU  45  17.927  -1.245  -1.245
  342    H    GLY  46           H        GLY  46  17.915  -1.487  -1.487
  343   1HA   GLY  46          1HA       GLY  46  17.136  -3.644  -3.644
  344   2HA   GLY  46          2HA       GLY  46  18.812  -3.190  -3.190
  345    H    LEU  47           H        LEU  47  19.172  -1.314  -1.314
  346    HA   LEU  47           HA       LEU  47  16.804   0.477   0.477
  347   1HB   LEU  47          1HB       LEU  47  19.036  -0.434  -0.434
  348   2HB   LEU  47          2HB       LEU  47  17.851   0.795   0.795
  349    HG   LEU  47           HG       LEU  47  17.148  -2.141  -2.141
  350   1HD1  LEU  47          2HD1      LEU  47  18.459  -1.934  -1.934
  351   2HD1  LEU  47          3HD1      LEU  47  17.339  -0.691  -0.691
  352   3HD1  LEU  47          1HD1      LEU  47  16.776  -2.361  -2.361
  353   1HD2  LEU  47          2HD2      LEU  47  15.347   0.137   0.137
  354   2HD2  LEU  47          3HD2      LEU  47  15.194  -0.670  -0.670
  355   3HD2  LEU  47          1HD2      LEU  47  14.886  -1.581  -1.581
  356    H    ALA  48           H        ALA  48  20.411   0.532   0.532
  357    HA   ALA  48           HA       ALA  48  21.943   2.172   2.172
  358   1HB   ALA  48          2HB       ALA  48  20.893   2.201   2.201
  359   2HB   ALA  48          3HB       ALA  48  19.785   3.500   3.500
  360   3HB   ALA  48          1HB       ALA  48  21.537   3.795   3.795
  361    HXT  ALA  48           HO        OH  49  21.729   4.365   4.365