*HEADER   NEUROTOXIN                              03-NOV-95   1AGG    
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: OMEGA-AGATOXIN-IVB;                              
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 SYNONYM: OMEGA-AGA-IVB                                     
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: AGELENOPSIS APERTA;                   
*SOURCE  3 ORGANISM_COMMON: FUNNEL-WEB SPIDER                         
*KEYWDS   NEUROTOXIN, P-TYPE CALCIUM CHANNEL ANTAGONIST               
*EXPDTA   NMR, 24 STRUCTURES                                          
*AUTHOR   M.D.REILY,V.THANABAL,M.E.ADAMS                              
*REVDAT  1   08-MAR-96 1AGG    0                                      


!BIOSYM restraint 1
!
#remote_prochiral_center
!
#chiral
1:GLUN_1:CA        S
1:ASP_2:CA         S
1:ASN_3:CA         S
1:CYS_4:CA         R
1:ILE_5:CA         S
1:ILE_5:CB         S
1:ALA_6:CA         S
1:GLU_7:CA         S
1:ASP_8:CA         S
1:TYR_9:CA         S
1:LYS_11:CA        S
1:CYS_12:CA        R
1:THR_13:CA        S
1:THR_13:CB        R
1:TRP_14:CA        S
1:THR_17:CA        S
1:THR_17:CB        R
1:LYS_18:CA        S
1:CYS_19:CA        R
1:CYS_20:CA        R
1:ARG_21:CA        S
1:ARG_23:CA        S
1:PRO_24:CA        S
1:CYS_25:CA        R
1:ARG_26:CA        S
1:CYS_27:CA        R
1:SER_28:CA        S
1:MET_29:CA        S
1:ILE_30:CA        S
1:ILE_30:CB        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:THR_37:CA        S
1:THR_37:CB        R
1:PRO_38: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:SER_46:CA        S
1:PHE_47:CA        S
1:ALA_48:CA        S
!
#distance
1:GLY_10:O         1:CYS_36:HN        -1.000  2.350 40.00 10.00 1000.000
1:ARG_26:O         1:GLU_35:HN        -1.000  2.350 40.00 40.00 1000.000
1:ARG_26:HN        1:GLU_35:O         -1.000  2.350 40.00 40.00 1000.000
1:THR_37:HN        1:PRO_24:O         -1.000  2.350 40.00 40.00 1000.000
1:CYS_34:O         1:CYS_12:HN        -1.000  2.350 40.00 40.00 1000.000
1:CYS_19:O         1:ARG_23:HN        -1.000  2.350 40.00 40.00 1000.000
1:CYS_19:HN        1:ARG_23:O         -1.000  2.350 40.00 40.00 1000.000
1:THR_13:HN        1:THR_17:O         -1.000  2.350 40.00 40.00 1000.000
1:LYS_18:O         1:ILE_5:HN         -1.000  2.350 40.00 40.00 1000.000
!
#NOE_distance
1:ILE_5:HG11       1:CYS_12:HA         1.800  4.130  4.130 40.00 40.00 1000.000  0.00
1:ILE_5:HG2*       1:CYS_12:HA         1.800  5.400  4.400 40.00 40.00 1000.000  0.00
1:ILE_5:HD1*       1:CYS_12:HA         1.800  4.080  3.080 40.00 40.00 1000.000  0.00
1:ILE_5:HG2*       1:CYS_19:HA         1.800  4.260  3.260 40.00 40.00 1000.000  0.00
1:ILE_5:HG12       1:CYS_19:HA         1.800  3.570  3.570 40.00 40.00 1000.000  0.00
1:ILE_5:HD1*       1:CYS_19:HA         1.800  4.610  3.610 40.00 40.00 1000.000  0.00
1:GLU_35:HG*       1:LYS_11:HA         1.800  4.040  3.040 40.00 40.00 1000.000  0.00
1:THR_13:HG2*      1:GLY_16:HA2        1.800  5.070  4.070 40.00 40.00 1000.000  0.00
1:GLU_35:HG*       1:TYR_9:HA          1.800  5.510  4.510 40.00 40.00 1000.000  0.00
1:ILE_5:HD1*       1:THR_17:HA         1.800  5.730  4.730 40.00 40.00 1000.000  0.00
1:GLU_7:HB1        1:GLY_10:HA2        1.800  3.150  3.150 40.00 40.00 1000.000  0.00
1:ILE_5:HG2*       1:GLY_10:HA2        1.800  4.050  3.050 40.00 40.00 1000.000  0.00
1:ILE_5:HG12       1:THR_17:HB         1.800  3.360  3.360 40.00 40.00 1000.000  0.00
1:ILE_5:HG11       1:THR_17:HB         1.800  3.570  3.570 40.00 40.00 1000.000  0.00
1:ILE_5:HG2*       1:THR_17:HB         1.800  5.570  4.570 40.00 40.00 1000.000  0.00
1:ILE_5:HD1*       1:THR_17:HB         1.800  3.960  2.960 40.00 40.00 1000.000  0.00
1:THR_13:HG2*      1:GLY_16:HA1        1.800  4.610  3.610 40.00 40.00 1000.000  0.00
1:ARG_23:HB1       1:CYS_19:HBS        1.800  2.840  2.840 40.00 40.00 1000.000  0.00
1:ARG_23:HB2       1:CYS_19:HBS        1.800  3.160  3.160 40.00 40.00 1000.000  0.00
1:ARG_23:HG*       1:CYS_19:HBS        1.800  4.600  3.600 40.00 40.00 1000.000  0.00
1:ALA_6:HB*        1:CYS_20:HB1        1.800  4.350  3.350 40.00 40.00 1000.000  0.00
1:ARG_23:HB2       1:CYS_19:HBR        1.800  3.000  3.000 40.00 40.00 1000.000  0.00
1:ARG_23:HG*       1:CYS_19:HBR        1.800  3.530  2.530 40.00 40.00 1000.000  0.00
1:ARG_23:HB1       1:CYS_19:HBR        1.800  2.890  2.890 40.00 40.00 1000.000  0.00
1:CYS_27:HA        1:CYS_34:HA         1.800  2.400  2.400 40.00 40.00 1000.000  0.00
1:CYS_27:HB2       1:CYS_34:HA         1.800  3.470  3.470 40.00 40.00 1000.000  0.00
1:CYS_27:HB1       1:CYS_34:HA         1.800  3.590  3.590 40.00 40.00 1000.000  0.00
1:CYS_25:HBR       1:CYS_36:HA         1.800  4.080  4.080 40.00 40.00 1000.000  0.00
1:CYS_25:HBS       1:CYS_36:HA         1.800  4.120  4.120 40.00 40.00 1000.000  0.00
1:CYS_34:HBS       1:CYS_27:HA         1.800  3.500  3.500 40.00 40.00 1000.000  0.00
1:CYS_4:HB1        1:CYS_20:HA         1.800  2.660  2.660 40.00 40.00 1000.000  0.00
1:PRO_38:HD2       1:THR_37:HB         1.800  4.260  4.260 40.00 40.00 1000.000  0.00
1:PRO_38:HD1       1:THR_37:HB         1.800  3.890  3.890 40.00 40.00 1000.000  0.00
1:CYS_20:HB2       1:ALA_6:HA          1.800  2.840  2.840 40.00 40.00 1000.000  0.00
1:LYS_11:HA        1:GLU_35:HA         1.800  2.550  2.550 40.00 40.00 1000.000  0.00
1:CYS_20:HA        1:CYS_4:HA          1.800  3.610  3.610 40.00 40.00 1000.000  0.00
1:CYS_34:HBS       1:THR_13:HA         1.800  3.520  3.520 40.00 40.00 1000.000  0.00
1:ALA_6:HA         1:CYS_20:HA         1.800  4.090  4.090 40.00 40.00 1000.000  0.00
1:ILE_5:HA         1:CYS_19:HA         1.800  4.090  4.090 40.00 40.00 1000.000  0.00
1:CYS_34:HBR       1:CYS_27:HA         1.800  3.600  3.600 40.00 40.00 1000.000  0.00
1:CYS_25:HA        1:CYS_36:HA         1.800  2.860  2.860 40.00 40.00 1000.000  0.00
1:GLU_35:HG*       1:GLU_35:HA         1.800  3.660  2.660 40.00 40.00 1000.000  0.00
1:PRO_38:HD1       1:THR_37:HA         1.800  2.420  2.420 40.00 40.00 1000.000  0.00
1:PRO_38:HD2       1:THR_37:HA         1.800  2.460  2.460 40.00 40.00 1000.000  0.00
1:CYS_20:HB1       1:ALA_6:HA          1.800  2.680  2.680 40.00 40.00 1000.000  0.00
1:GLU_7:HB2        1:GLY_10:HA2        1.800  3.290  3.290 40.00 40.00 1000.000  0.00
1:ILE_5:HG11       1:CYS_19:HA         1.800  4.390  4.390 40.00 40.00 1000.000  0.00
1:ILE_5:HG2*       1:GLY_10:HA1        1.800  3.860  2.860 40.00 40.00 1000.000  0.00
1:GLU_35:HG*       1:CYS_34:HA         1.800  4.630  3.630 40.00 40.00 1000.000  0.00
1:CYS_12:HB2       1:CYS_25:HBS        1.800  4.700  4.700 40.00 40.00 1000.000  0.00
1:THR_13:HA        1:CYS_34:HA         1.800  4.990  4.990 40.00 40.00 1000.000  0.00
1:CYS_12:HN        1:GLU_35:HA         1.800  2.640  2.640 40.00 40.00 1000.000  0.00
1:THR_37:HN        1:CYS_36:HA         1.800  2.330  2.330 40.00 40.00 1000.000  0.00
1:GLU_35:HN        1:CYS_34:HA         1.800  2.210  2.210 40.00 40.00 1000.000  0.00
1:THR_13:HN        1:CYS_12:HA         1.800  2.390  2.390 40.00 40.00 1000.000  0.00
1:ILE_5:HN         1:CYS_4:HA          1.800  2.480  2.480 40.00 40.00 1000.000  0.00
1:SER_28:HN        1:CYS_27:HA         1.800  2.390  2.390 40.00 40.00 1000.000  0.00
1:CYS_4:HN         1:ASN_3:HA          1.800  2.730  2.730 40.00 40.00 1000.000  0.00
1:TRP_14:HN        1:THR_13:HB         1.800  2.750  2.750 40.00 40.00 1000.000  0.00
1:ALA_6:HN         1:ILE_5:HA          1.800  2.120  2.120 40.00 40.00 1000.000  0.00
1:CYS_19:HN        1:LYS_18:HA         1.800  2.160  2.160 40.00 40.00 1000.000  0.00
1:ASN_33:HN        1:THR_32:HB         1.800  2.490  2.490 40.00 40.00 1000.000  0.00
1:ASN_33:HN        1:THR_32:HA         1.800  2.590  2.590 40.00 40.00 1000.000  0.00
1:MET_29:HN        1:SER_28:HA         1.800  2.410  2.410 40.00 40.00 1000.000  0.00
1:GLY_15:HN        1:TRP_14:HA         1.800  2.280  2.280 40.00 40.00 1000.000  0.00
1:GLY_44:HN        1:GLU_43:HA         1.800  2.570  2.570 40.00 40.00 1000.000  0.00
1:MET_42:HN        1:ILE_41:HA         1.800  2.310  2.310 40.00 40.00 1000.000  0.00
1:CYS_12:HN        1:LYS_11:HA         1.800  2.160  2.160 40.00 40.00 1000.000  0.00
1:GLU_7:HN         1:ALA_6:HA          1.800  2.950  2.950 40.00 40.00 1000.000  0.00
1:ASP_8:HN         1:GLU_7:HA          1.800  2.170  2.170 40.00 40.00 1000.000  0.00
1:THR_17:HN        1:GLY_16:HA1        1.800  2.390  2.390 40.00 40.00 1000.000  0.00
1:THR_17:HN        1:GLY_16:HA2        1.800  2.470  2.470 40.00 40.00 1000.000  0.00
1:LYS_11:HN        1:GLY_10:HA2        1.800  2.240  2.240 40.00 40.00 1000.000  0.00
1:LYS_18:HN        1:THR_17:HA         1.800  2.140  2.140 40.00 40.00 1000.000  0.00
1:TRP_14:HN        1:THR_13:HA         1.800  2.070  2.070 40.00 40.00 1000.000  0.00
1:ARG_23:HN        1:GLY_22:HA2        1.800  3.250  3.250 40.00 40.00 1000.000  0.00
1:ARG_23:HN        1:GLY_22:HA1        1.800  3.200  3.200 40.00 40.00 1000.000  0.00
1:GLY_10:HN        1:TYR_9:HA          1.800  3.050  3.050 40.00 40.00 1000.000  0.00
1:TYR_9:HN         1:ASP_8:HA          1.800  2.170  2.170 40.00 40.00 1000.000  0.00
1:ALA_6:HB*        1:GLU_7:HN         -1.000  4.000  3.000 40.00 40.00 1000.000  0.00
1:ALA_6:HN         1:GLU_7:HN         -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:ARG_21:HB1       1:GLY_22:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:ARG_21:HB2       1:GLY_22: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  2.500  2.500 40.00 40.00 1000.000  0.00
1:ARG_23:HA        1:PRO_24:HD1       -1.000  2.500  2.500 40.00 40.00 1000.000  0.00
1:ARG_23:HA        1:PRO_24:HD2       -1.000  2.500  2.500 40.00 40.00 1000.000  0.00
1:ARG_26:HA        1:CYS_27:HN        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:ARG_26:HN        1:THR_37:HG2*      -1.000  6.000  5.000 40.00 40.00 1000.000  0.00
1:ARG_26:HB1       1:CYS_27:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:ARG_26:HB2       1:CYS_27:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:ASN_33:HA        1:CYS_34:HN        -1.000  2.500  2.500 40.00 40.00 1000.000  0.00
1:ASN_33:HB1       1:CYS_34:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:ASN_33:HB2       1:CYS_34:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:ASN_33:HN        1:CYS_34:HN        -1.000  2.500  2.500 40.00 40.00 1000.000  0.00
1:ASN_3:HA         1:THR_17:HG2*      -1.000  6.000  5.000 40.00 40.00 1000.000  0.00
1:ASN_3:HB1        1:CYS_4:HN         -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:ASN_3:HB2        1:CYS_4:HN         -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:ASP_2:HA         1:ASN_3:HN         -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:ASP_2:HB1        1:ASN_3:HN         -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:ASP_2:HB2        1:ASN_3: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  3.500  3.500 40.00 40.00 1000.000  0.00
1:ASP_8:HBR        1:TYR_9:HN         -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:ASP_8:HBS        1:TYR_9:HN         -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:ASP_8:HA         1:PRO_38:HD1       -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:CYS_12:HB1       1:CYS_25:HBR       -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:CYS_12:HB1       1:CYS_25:HBS       -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:CYS_12:HA        1:ILE_5:HG12       -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:CYS_12:HB1       1:ILE_5:HD1*       -1.000  3.500  2.500 40.00 40.00 1000.000  0.00
1:CYS_12:HB1       1:ILE_5:HG2*       -1.000  6.000  5.000 40.00 40.00 1000.000  0.00
1:CYS_12:HB1       1:THR_13:HN        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:CYS_12:HB2       1:ILE_5:HD1*       -1.000  3.500  2.500 40.00 40.00 1000.000  0.00
1:CYS_12:HB2       1:ILE_5:HG2*       -1.000  6.000  5.000 40.00 40.00 1000.000  0.00
1:CYS_12:HB2       1:THR_13:HN        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:CYS_19:HA        1:CYS_20:HN        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:CYS_19:HA        1:ILE_5:HB         -1.000  2.500  2.500 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:HBS       1:ARG_23:HN        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:CYS_19:HBS       1:CYS_20:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:CYS_19:HBR       1:ARG_23:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:CYS_19:HBR       1:ARG_23:HA        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:CYS_19:HBR       1:CYS_20:HN        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:CYS_20:HA        1:ARG_21:HN        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:CYS_20:HA        1:CYS_4:HB2        -1.000  2.500  2.500 40.00 40.00 1000.000  0.00
1:CYS_20:HA        1:ILE_5:HN         -1.000  2.500  2.500 40.00 40.00 1000.000  0.00
1:CYS_20:HB1       1:ARG_21:HN        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:CYS_20:HB2       1:ARG_21:HN        -1.000  2.500  2.500 40.00 40.00 1000.000  0.00
1:CYS_20:HB2       1:ALA_6:HB*        -1.000  6.000  5.000 40.00 40.00 1000.000  0.00
1:CYS_20:HN        1:ARG_21:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:CYS_25:HA        1:ARG_26:HN        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:CYS_25:HA        1:THR_37:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:CYS_25:HBR       1:ARG_26:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:CYS_25:HBS       1:ARG_26:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:CYS_27:HB1       1:SER_28:HN        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:CYS_27:HB2       1:SER_28:HN        -1.000  2.500  2.500 40.00 40.00 1000.000  0.00
1:CYS_34:HBS       1:GLU_35:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:CYS_34:HBR       1:GLU_35:HN        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:CYS_36:HA        1:CYS_19:HBS       -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:CYS_36:HBS       1:CYS_19:HBS       -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:CYS_36:HA        1:ARG_26:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:CYS_36:HBS       1:THR_37:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:CYS_36:HBR       1:THR_37:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:CYS_36:HN        1:TYR_9:HA         -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:CYS_36:HN        1:LYS_11:HA        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:CYS_4:HB1        1:CYS_20:HB2       -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:CYS_4:HB1        1:ILE_5:HN         -1.000  2.500  2.500 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:CYS_4:HN         1:ASN_3:HN         -1.000  2.500  2.500 40.00 40.00 1000.000  0.00
1:CYS_4:HN         1:THR_17:HG2*      -1.000  6.000  5.000 40.00 40.00 1000.000  0.00
1:GLUN_1:HA        1:ASP_2:HN         -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:GLUN_1:HB1       1:ASP_2:HN         -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:GLUN_1:HB2       1:ASP_2:HN         -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:GLU_35:HA        1:CYS_36:HN        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:GLU_35:HB1       1:CYS_36:HN        -1.000  2.500  2.500 40.00 40.00 1000.000  0.00
1:GLU_35:HB2       1:CYS_36:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:GLU_35:HN        1:ARG_26:HN        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:GLU_35:HN        1:CYS_27:HA        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:GLU_35:HA        1:TYR_9:HA         -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:GLU_7:HA         1:CYS_36:HBS       -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:GLU_7:HA         1:CYS_36:HBR       -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:GLU_7:HB1        1:ASP_8:HN         -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:GLU_7:HB1        1:GLY_10:HA1       -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:GLU_7:HB2        1:ASP_8:HN         -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:GLU_7:HB2        1:GLY_10:HA1       -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:GLU_7:HN         1:ILE_5:HG2*       -1.000  6.000  5.000 40.00 40.00 1000.000  0.00
1:GLY_10:HA1       1:LYS_11:HN        -1.000  2.500  2.500 40.00 40.00 1000.000  0.00
1:GLY_10:HN        1:CYS_36:HN        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:GLY_10:HN        1:CYS_36:HBS       -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:GLY_10:HN        1:CYS_36:HBR       -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:GLY_10:HN        1:GLU_7:HB1        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:GLY_10:HN        1:GLU_7:HB2        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:GLY_10:HN        1:GLU_7:HG*        -1.000  6.000  5.000 40.00 40.00 1000.000  0.00
1:GLY_10:HN        1:ILE_5:HG2*       -1.000  6.000  5.000 40.00 40.00 1000.000  0.00
1:GLY_10:HN        1:LYS_11:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:GLY_15:HA1       1:GLY_16:HN        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:GLY_15:HA2       1:GLY_16:HN        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:GLY_15:HN        1:GLY_16:HN        -1.000  2.500  2.500 40.00 40.00 1000.000  0.00
1:GLY_16:HA2       1:THR_13:HA        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:GLY_16:HN        1:THR_17:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:GLY_22:HN        1:ARG_23:HN        -1.000  2.500  2.500 40.00 40.00 1000.000  0.00
1:GLY_31:HA1       1:CYS_27:HB2       -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:GLY_31:HA1       1:CYS_27:HB1       -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:GLY_31:HA2       1:CYS_27:HB2       -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:GLY_31:HA2       1:CYS_27:HB1       -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:GLY_31:HA1       1:THR_32:HN        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:GLY_31:HA2       1:THR_32:HN        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:GLY_31:HN        1:THR_32:HN        -1.000  2.500  2.500 40.00 40.00 1000.000  0.00
1:ILE_30:HA        1:GLY_31:HN        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:ILE_30:HB        1:GLY_31:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:ILE_30:HN        1:GLY_31:HN        -1.000  2.500  2.500 40.00 40.00 1000.000  0.00
1:ILE_5:HG2*       1:CYS_36:HBR       -1.000  4.500  3.500 40.00 40.00 1000.000  0.00
1:ILE_5:HG2*       1:CYS_36:HBS       -1.000  4.500  3.500 40.00 40.00 1000.000  0.00
1:ILE_5:HA         1:THR_17:HB        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:ILE_5:HA         1:THR_17:HG2*      -1.000  6.000  5.000 40.00 40.00 1000.000  0.00
1:ILE_5:HB         1:ALA_6:HN         -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:LYS_11:HB1       1:CYS_12:HN        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:LYS_11:HB2       1:CYS_12:HN        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:LYS_18:HB1       1:CYS_19:HN        -1.000  2.500  2.500 40.00 40.00 1000.000  0.00
1:LYS_18:HB2       1:CYS_19:HN        -1.000  2.500  2.500 40.00 40.00 1000.000  0.00
1:MET_29:HA        1:ILE_30:HN        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:MET_29:HB1       1:ILE_30:HN        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:MET_29:HB2       1:ILE_30:HN        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:MET_29:HN        1:ILE_30:HN        -1.000  2.500  2.500 40.00 40.00 1000.000  0.00
1:PRO_24:HA        1:CYS_25:HN        -1.000  2.500  2.500 40.00 40.00 1000.000  0.00
1:PRO_24:HB1       1:CYS_25:HN        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:PRO_24:HB2       1:CYS_25:HN        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:PRO_38:HA        1:ARG_39:HN        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:PRO_38:HB1       1:ARG_39:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:PRO_38:HB2       1:ARG_39:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:SER_28:HA        1:CYS_34:HA        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:SER_28:HB1       1:ASN_33:HB1       -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:SER_28:HB1       1:ASN_33:HB2       -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:SER_28:HB1       1:MET_29:HN        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:SER_28:HB2       1:ASN_33:HB1       -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:SER_28:HB2       1:ASN_33:HB2       -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:SER_28:HB2       1:MET_29:HN        -1.000  2.500  2.500 40.00 40.00 1000.000  0.00
1:THR_13:HN        1:ILE_5:HD1*       -1.000  6.000  5.000 40.00 40.00 1000.000  0.00
1:THR_17:HB        1:LYS_18:HN        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:THR_17:HG2*      1:CYS_4:HA         -1.000  3.500  2.500 40.00 40.00 1000.000  0.00
1:THR_17:HG2*      1:CYS_4:HB1        -1.000  4.500  3.500 40.00 40.00 1000.000  0.00
1:THR_17:HG2*      1:CYS_4:HB2        -1.000  4.500  3.500 40.00 40.00 1000.000  0.00
1:THR_17:HG2*      1:ILE_5:HN         -1.000  3.500  2.500 40.00 40.00 1000.000  0.00
1:THR_17:HN        1:LYS_18:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:THR_32:HN        1:ASN_33:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:TRP_14:HB*       1:GLY_15:HN        -1.000  4.500  3.500 40.00 40.00 1000.000  0.00
1:TRP_14:HD1       1:CYS_25:HBR       -1.000  4.500  4.500 40.00 40.00 1000.000  0.00
1:TRP_14:HD1       1:CYS_25:HBS       -1.000  4.500  4.500 40.00 40.00 1000.000  0.00
1:TYR_9:HB2        1:GLU_35:HG*       -1.000  6.000  5.000 40.00 40.00 1000.000  0.00
1:TYR_9:HB2        1:GLY_10:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:TYR_9:HB1        1:GLY_10:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:TYR_9:HD*        1:ASP_8:HBR        -1.000  5.500  3.500 40.00 40.00 1000.000  0.00
1:TYR_9:HD*        1:ASP_8:HBS        -1.000  5.500  3.500 40.00 40.00 1000.000  0.00
1:TYR_9:HD*        1:GLU_35:HB1       -1.000  7.000  5.000 40.00 40.00 1000.000  0.00
1:TYR_9:HD*        1:GLU_35:HB2       -1.000  7.000  5.000 40.00 40.00 1000.000  0.00
1:TYR_9:HD*        1:GLU_35:HG*       -1.000  8.000  5.000 40.00 40.00 1000.000  0.00
1:TYR_9:HD*        1:THR_37:HG2*      -1.000  8.000  5.000 40.00 40.00 1000.000  0.00
1:TYR_9:HD*        1:THR_37:HA        -1.000  7.000  5.000 40.00 40.00 1000.000  0.00
1:TYR_9:HE*        1:ASP_8:HBR        -1.000  7.000  5.000 40.00 40.00 1000.000  0.00
1:TYR_9:HE*        1:ASP_8:HBS        -1.000  7.000  5.000 40.00 40.00 1000.000  0.00
1:TYR_9:HE*        1:PRO_38:HB1       -1.000  7.000  5.000 40.00 40.00 1000.000  0.00
1:TYR_9:HE*        1:PRO_38:HB2       -1.000  7.000  5.000 40.00 40.00 1000.000  0.00
1:TYR_9:HE*        1:PRO_38:HD1       -1.000  7.000  5.000 40.00 40.00 1000.000  0.00
1:TYR_9:HE*        1:PRO_38:HD2       -1.000  7.000  5.000 40.00 40.00 1000.000  0.00
1:TYR_9:HE*        1:PRO_38:HG1       -1.000  6.500  4.500 40.00 40.00 1000.000  0.00
1:TYR_9:HE*        1:PRO_38:HG2       -1.000  6.500  4.500 40.00 40.00 1000.000  0.00
1:TYR_9:HE*        1:THR_37:HG2*      -1.000  8.000  5.000 40.00 40.00 1000.000  0.00
1:TYR_9:HE*        1:THR_37:HA        -1.000  7.000  5.000 40.00 40.00 1000.000  0.00
1:TYR_9:HN         1:GLY_10:HN        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:ARG_39:HA        1:LEU_40:HN        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:LEU_40:HA        1:ILE_41: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:GLY_44:HA*       1:LEU_45:HN        -1.000  4.500  3.500 40.00 40.00 1000.000  0.00
1:LEU_45:HA        1:SER_46:HN        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:SER_46:HA        1:PHE_47:HN        -1.000  3.500  3.500 40.00 40.00 1000.000  0.00
1:PHE_47:HA        1:ALA_48: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  5.000  5.000 40.00 40.00 1000.000  0.00
1:LEU_40:HB1       1:ILE_41:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:ILE_41:HB        1:MET_42:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:MET_42:HB1       1:GLU_43:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:GLU_43:HB1       1:GLY_44:HN        -1.000  4.000  4.000 40.00 40.00 1000.000  0.00
1:LEU_45:HB1       1:SER_46:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:SER_46:HB1       1:PHE_47:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:PHE_47:HB1       1:ALA_48:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:ARG_39:HB2       1:LEU_40:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:LEU_40:HB2       1:ILE_41:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:MET_42:HB2       1:GLU_43:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:GLU_43:HB2       1:GLY_44:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:LEU_45:HB2       1:SER_46:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:SER_46:HB2       1:PHE_47:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:PHE_47:HB2       1:ALA_48:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
!
#mixing_times
-9.990000E+02 
!
#NMR_dihedral
1:CYS_4:C          1:ILE_5:N          1:ILE_5:CA         1:ILE_5:C          -175.000 -75.000 40.00 40.00 1000.000
1:GLY_10:C         1:LYS_11:N         1:LYS_11:CA        1:LYS_11:C         -90.000 -10.000 40.00 40.00 1000.000
1:THR_13:C         1:TRP_14:N         1:TRP_14:CA        1:TRP_14:C         -90.000 -10.000 40.00 40.00 1000.000
1:GLY_16:C         1:THR_17:N         1:THR_17:CA        1:THR_17:C         -90.000 -10.000 40.00 40.00 1000.000
1:CYS_20:C         1:ARG_21:N         1:ARG_21:CA        1:ARG_21:C         -90.000 -10.000 40.00 40.00 1000.000
1:CYS_27:C         1:SER_28:N         1:SER_28:CA        1:SER_28:C         -90.000 -10.000 40.00 40.00 1000.000
1:SER_28:C         1:MET_29:N         1:MET_29:CA        1:MET_29:C         -90.000 -10.000 40.00 40.00 1000.000
1:GLU_35:C         1:CYS_36:N         1:CYS_36:CA        1:CYS_36:C         -90.000 -10.000 40.00 40.00 1000.000
1:LYS_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:CYS_12:C         1:THR_13:N         1:THR_13:CA        1:THR_13:C         -175.000 -75.000 40.00 40.00 1000.000
1:PRO_24:C         1:CYS_25:N         1:CYS_25:CA        1:CYS_25:C         -175.000 -75.000 40.00 40.00 1000.000
1:ARG_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:GLY_31:C         1:THR_32:N         1:THR_32:CA        1:THR_32:C         -175.000 -75.000 40.00 40.00 1000.000
1:CYS_34:C         1:GLU_35:N         1:GLU_35:CA        1:GLU_35:C         -175.000 -75.000 40.00 40.00 1000.000
1:MET_29:C         1:ILE_30:N         1:ILE_30:CA        1:ILE_30:C         -175.000 -75.000 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_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_19:N         1:CYS_19:CA        1:CYS_19:CB        1:CYS_19:SG        -80.000 -40.000 40.00 40.00 1000.000
1:CYS_27:N         1:CYS_27:CA        1:CYS_27:CB        1:CYS_27:SG        -80.000 -40.000 40.00 40.00 1000.000
1:CYS_34:N         1:CYS_34:CA        1:CYS_34:CB        1:CYS_34:SG        -80.000 -40.000 40.00 40.00 1000.000
1:CYS_20:N         1:CYS_20:CA        1:CYS_20:CB        1:CYS_20:SG        160.000 -160.000 40.00 40.00 1000.000
1:ASP_2:CA         1:ASP_2:C          1:ASN_3:N          1:ASN_3:CA         170.000 -170.000 81.00 81.00 1000.000
1:ASP_2:O          1:ASP_2:C          1:ASN_3:N          1:ASN_3:HN         170.000 -170.000 81.00 81.00 1000.000
1:ASP_2:CA         1:ASP_2:C          1:ASN_3:N          1:ASN_3:HN         -10.000 10.000 81.00 81.00 1000.000
1:ASP_2:O          1:ASP_2:C          1:ASN_3:N          1:ASN_3:CA         -10.000 10.000 81.00 81.00 1000.000
1:ASN_3:CA         1:ASN_3:C          1:CYS_4:N          1:CYS_4:CA         170.000 -170.000 81.00 81.00 1000.000
1:ASN_3:O          1:ASN_3:C          1:CYS_4:N          1:CYS_4:HN         170.000 -170.000 81.00 81.00 1000.000
1:ASN_3:CA         1:ASN_3:C          1:CYS_4:N          1:CYS_4:HN         -10.000 10.000 81.00 81.00 1000.000
1:ASN_3:O          1:ASN_3:C          1:CYS_4:N          1:CYS_4:CA         -10.000 10.000 81.00 81.00 1000.000
1:CYS_4:CA         1:CYS_4:C          1:ILE_5:N          1:ILE_5:CA         170.000 -170.000 81.00 81.00 1000.000
1:CYS_4:O          1:CYS_4:C          1:ILE_5:N          1:ILE_5:HN         170.000 -170.000 81.00 81.00 1000.000
1:CYS_4:CA         1:CYS_4:C          1:ILE_5:N          1:ILE_5:HN         -10.000 10.000 81.00 81.00 1000.000
1:CYS_4:O          1:CYS_4:C          1:ILE_5:N          1:ILE_5:CA         -10.000 10.000 81.00 81.00 1000.000
1:ILE_5:CA         1:ILE_5:C          1:ALA_6:N          1:ALA_6:CA         170.000 -170.000 81.00 81.00 1000.000
1:ILE_5:O          1:ILE_5:C          1:ALA_6:N          1:ALA_6:HN         170.000 -170.000 81.00 81.00 1000.000
1:ILE_5:CA         1:ILE_5:C          1:ALA_6:N          1:ALA_6:HN         -10.000 10.000 81.00 81.00 1000.000
1:ILE_5:O          1:ILE_5:C          1:ALA_6:N          1:ALA_6:CA         -10.000 10.000 81.00 81.00 1000.000
1:ALA_6:CA         1:ALA_6:C          1:GLU_7:N          1:GLU_7:CA         170.000 -170.000 81.00 81.00 1000.000
1:ALA_6:O          1:ALA_6:C          1:GLU_7:N          1:GLU_7:HN         170.000 -170.000 81.00 81.00 1000.000
1:ALA_6:CA         1:ALA_6:C          1:GLU_7:N          1:GLU_7:HN         -10.000 10.000 81.00 81.00 1000.000
1:ALA_6:O          1:ALA_6:C          1:GLU_7:N          1:GLU_7:CA         -10.000 10.000 81.00 81.00 1000.000
1:GLU_7:CA         1:GLU_7:C          1:ASP_8:N          1:ASP_8:CA         170.000 -170.000 81.00 81.00 1000.000
1:GLU_7:O          1:GLU_7:C          1:ASP_8:N          1:ASP_8:HN         170.000 -170.000 81.00 81.00 1000.000
1:GLU_7:CA         1:GLU_7:C          1:ASP_8:N          1:ASP_8:HN         -10.000 10.000 81.00 81.00 1000.000
1:GLU_7:O          1:GLU_7:C          1:ASP_8:N          1:ASP_8:CA         -10.000 10.000 81.00 81.00 1000.000
1:ASP_8:CA         1:ASP_8:C          1:TYR_9:N          1:TYR_9:CA         170.000 -170.000 81.00 81.00 1000.000
1:ASP_8:O          1:ASP_8:C          1:TYR_9:N          1:TYR_9:HN         170.000 -170.000 81.00 81.00 1000.000
1:ASP_8:CA         1:ASP_8:C          1:TYR_9:N          1:TYR_9:HN         -10.000 10.000 81.00 81.00 1000.000
1:ASP_8:O          1:ASP_8:C          1:TYR_9:N          1:TYR_9:CA         -10.000 10.000 81.00 81.00 1000.000
1:TYR_9:CA         1:TYR_9:C          1:GLY_10:N         1:GLY_10:CA        170.000 -170.000 81.00 81.00 1000.000
1:TYR_9:O          1:TYR_9:C          1:GLY_10:N         1:GLY_10:HN        170.000 -170.000 81.00 81.00 1000.000
1:TYR_9:CA         1:TYR_9:C          1:GLY_10:N         1:GLY_10:HN        -10.000 10.000 81.00 81.00 1000.000
1:TYR_9:O          1:TYR_9:C          1:GLY_10:N         1:GLY_10:CA        -10.000 10.000 81.00 81.00 1000.000
1:GLY_10:CA        1:GLY_10:C         1:LYS_11:N         1:LYS_11:CA        170.000 -170.000 81.00 81.00 1000.000
1:GLY_10:O         1:GLY_10:C         1:LYS_11:N         1:LYS_11:HN        170.000 -170.000 81.00 81.00 1000.000
1:GLY_10:CA        1:GLY_10:C         1:LYS_11:N         1:LYS_11:HN        -10.000 10.000 81.00 81.00 1000.000
1:GLY_10:O         1:GLY_10:C         1:LYS_11:N         1:LYS_11:CA        -10.000 10.000 81.00 81.00 1000.000
1:LYS_11:CA        1:LYS_11:C         1:CYS_12:N         1:CYS_12:CA        170.000 -170.000 81.00 81.00 1000.000
1:LYS_11:O         1:LYS_11:C         1:CYS_12:N         1:CYS_12:HN        170.000 -170.000 81.00 81.00 1000.000
1:LYS_11:CA        1:LYS_11:C         1:CYS_12:N         1:CYS_12:HN        -10.000 10.000 81.00 81.00 1000.000
1:LYS_11:O         1:LYS_11:C         1:CYS_12:N         1:CYS_12:CA        -10.000 10.000 81.00 81.00 1000.000
1:CYS_12:CA        1:CYS_12:C         1:THR_13:N         1:THR_13:CA        170.000 -170.000 81.00 81.00 1000.000
1:CYS_12:O         1:CYS_12:C         1:THR_13:N         1:THR_13:HN        170.000 -170.000 81.00 81.00 1000.000
1:CYS_12:CA        1:CYS_12:C         1:THR_13:N         1:THR_13:HN        -10.000 10.000 81.00 81.00 1000.000
1:CYS_12:O         1:CYS_12:C         1:THR_13:N         1:THR_13:CA        -10.000 10.000 81.00 81.00 1000.000
1:THR_13:CA        1:THR_13:C         1:TRP_14:N         1:TRP_14:CA        170.000 -170.000 81.00 81.00 1000.000
1:THR_13:O         1:THR_13:C         1:TRP_14:N         1:TRP_14:HN        170.000 -170.000 81.00 81.00 1000.000
1:THR_13:CA        1:THR_13:C         1:TRP_14:N         1:TRP_14:HN        -10.000 10.000 81.00 81.00 1000.000
1:THR_13:O         1:THR_13:C         1:TRP_14:N         1:TRP_14:CA        -10.000 10.000 81.00 81.00 1000.000
1:TRP_14:CA        1:TRP_14:C         1:GLY_15:N         1:GLY_15:CA        170.000 -170.000 81.00 81.00 1000.000
1:TRP_14:O         1:TRP_14:C         1:GLY_15:N         1:GLY_15:HN        170.000 -170.000 81.00 81.00 1000.000
1:TRP_14:CA        1:TRP_14:C         1:GLY_15:N         1:GLY_15:HN        -10.000 10.000 81.00 81.00 1000.000
1:TRP_14:O         1:TRP_14:C         1:GLY_15:N         1:GLY_15:CA        -10.000 10.000 81.00 81.00 1000.000
1:GLY_15:CA        1:GLY_15:C         1:GLY_16:N         1:GLY_16:CA        170.000 -170.000 81.00 81.00 1000.000
1:GLY_15:O         1:GLY_15:C         1:GLY_16:N         1:GLY_16:HN        170.000 -170.000 81.00 81.00 1000.000
1:GLY_15:CA        1:GLY_15:C         1:GLY_16:N         1:GLY_16:HN        -10.000 10.000 81.00 81.00 1000.000
1:GLY_15:O         1:GLY_15:C         1:GLY_16:N         1:GLY_16:CA        -10.000 10.000 81.00 81.00 1000.000
1:GLY_16:CA        1:GLY_16:C         1:THR_17:N         1:THR_17:CA        170.000 -170.000 81.00 81.00 1000.000
1:GLY_16:O         1:GLY_16:C         1:THR_17:N         1:THR_17:HN        170.000 -170.000 81.00 81.00 1000.000
1:GLY_16:CA        1:GLY_16:C         1:THR_17:N         1:THR_17:HN        -10.000 10.000 81.00 81.00 1000.000
1:GLY_16:O         1:GLY_16:C         1:THR_17:N         1:THR_17:CA        -10.000 10.000 81.00 81.00 1000.000
1:THR_17:CA        1:THR_17:C         1:LYS_18:N         1:LYS_18:CA        170.000 -170.000 81.00 81.00 1000.000
1:THR_17:O         1:THR_17:C         1:LYS_18:N         1:LYS_18:HN        170.000 -170.000 81.00 81.00 1000.000
1:THR_17:CA        1:THR_17:C         1:LYS_18:N         1:LYS_18:HN        -10.000 10.000 81.00 81.00 1000.000
1:THR_17:O         1:THR_17:C         1:LYS_18:N         1:LYS_18:CA        -10.000 10.000 81.00 81.00 1000.000
1:LYS_18:CA        1:LYS_18:C         1:CYS_19:N         1:CYS_19:CA        170.000 -170.000 81.00 81.00 1000.000
1:LYS_18:O         1:LYS_18:C         1:CYS_19:N         1:CYS_19:HN        170.000 -170.000 81.00 81.00 1000.000
1:LYS_18:CA        1:LYS_18:C         1:CYS_19:N         1:CYS_19:HN        -10.000 10.000 81.00 81.00 1000.000
1:LYS_18:O         1:LYS_18:C         1:CYS_19:N         1:CYS_19:CA        -10.000 10.000 81.00 81.00 1000.000
1:CYS_19:CA        1:CYS_19:C         1:CYS_20:N         1:CYS_20:CA        170.000 -170.000 81.00 81.00 1000.000
1:CYS_19:O         1:CYS_19:C         1:CYS_20:N         1:CYS_20:HN        170.000 -170.000 81.00 81.00 1000.000
1:CYS_19:CA        1:CYS_19:C         1:CYS_20:N         1:CYS_20:HN        -10.000 10.000 81.00 81.00 1000.000
1:CYS_19:O         1:CYS_19:C         1:CYS_20:N         1:CYS_20:CA        -10.000 10.000 81.00 81.00 1000.000
1:CYS_20:CA        1:CYS_20:C         1:ARG_21:N         1:ARG_21:CA        170.000 -170.000 81.00 81.00 1000.000
1:CYS_20:O         1:CYS_20:C         1:ARG_21:N         1:ARG_21:HN        170.000 -170.000 81.00 81.00 1000.000
1:CYS_20:CA        1:CYS_20:C         1:ARG_21:N         1:ARG_21:HN        -10.000 10.000 81.00 81.00 1000.000
1:CYS_20:O         1:CYS_20:C         1:ARG_21:N         1:ARG_21:CA        -10.000 10.000 81.00 81.00 1000.000
1:ARG_21:CA        1:ARG_21:C         1:GLY_22:N         1:GLY_22:CA        170.000 -170.000 81.00 81.00 1000.000
1:ARG_21:O         1:ARG_21:C         1:GLY_22:N         1:GLY_22:HN        170.000 -170.000 81.00 81.00 1000.000
1:ARG_21:CA        1:ARG_21:C         1:GLY_22:N         1:GLY_22:HN        -10.000 10.000 81.00 81.00 1000.000
1:ARG_21:O         1:ARG_21:C         1:GLY_22:N         1:GLY_22:CA        -10.000 10.000 81.00 81.00 1000.000
1:GLY_22:CA        1:GLY_22:C         1:ARG_23:N         1:ARG_23:CA        170.000 -170.000 81.00 81.00 1000.000
1:GLY_22:O         1:GLY_22:C         1:ARG_23:N         1:ARG_23:HN        170.000 -170.000 81.00 81.00 1000.000
1:GLY_22:CA        1:GLY_22:C         1:ARG_23:N         1:ARG_23:HN        -10.000 10.000 81.00 81.00 1000.000
1:GLY_22:O         1:GLY_22:C         1:ARG_23:N         1:ARG_23:CA        -10.000 10.000 81.00 81.00 1000.000
1:ARG_23:CA        1:ARG_23:C         1:PRO_24:N         1:PRO_24:CA        170.000 -170.000 81.00 81.00 1000.000
1:ARG_23:O         1:ARG_23:C         1:PRO_24:N         1:PRO_24:CD        170.000 -170.000 81.00 81.00 1000.000
1:ARG_23:CA        1:ARG_23:C         1:PRO_24:N         1:PRO_24:CD        -10.000 10.000 81.00 81.00 1000.000
1:ARG_23:O         1:ARG_23:C         1:PRO_24:N         1:PRO_24:CA        -10.000 10.000 81.00 81.00 1000.000
1:PRO_24:CA        1:PRO_24:C         1:CYS_25:N         1:CYS_25:CA        170.000 -170.000 81.00 81.00 1000.000
1:PRO_24:O         1:PRO_24:C         1:CYS_25:N         1:CYS_25:HN        170.000 -170.000 81.00 81.00 1000.000
1:PRO_24:CA        1:PRO_24:C         1:CYS_25:N         1:CYS_25:HN        -10.000 10.000 81.00 81.00 1000.000
1:PRO_24:O         1:PRO_24:C         1:CYS_25:N         1:CYS_25:CA        -10.000 10.000 81.00 81.00 1000.000
1:CYS_25:CA        1:CYS_25:C         1:ARG_26:N         1:ARG_26:CA        170.000 -170.000 81.00 81.00 1000.000
1:CYS_25:O         1:CYS_25:C         1:ARG_26:N         1:ARG_26:HN        170.000 -170.000 81.00 81.00 1000.000
1:CYS_25:CA        1:CYS_25:C         1:ARG_26:N         1:ARG_26:HN        -10.000 10.000 81.00 81.00 1000.000
1:CYS_25:O         1:CYS_25:C         1:ARG_26:N         1:ARG_26:CA        -10.000 10.000 81.00 81.00 1000.000
1:ARG_26:CA        1:ARG_26:C         1:CYS_27:N         1:CYS_27:CA        170.000 -170.000 81.00 81.00 1000.000
1:ARG_26:O         1:ARG_26:C         1:CYS_27:N         1:CYS_27:HN        170.000 -170.000 81.00 81.00 1000.000
1:ARG_26:CA        1:ARG_26:C         1:CYS_27:N         1:CYS_27:HN        -10.000 10.000 81.00 81.00 1000.000
1:ARG_26:O         1:ARG_26:C         1:CYS_27:N         1:CYS_27:CA        -10.000 10.000 81.00 81.00 1000.000
1:CYS_27:CA        1:CYS_27:C         1:SER_28:N         1:SER_28:CA        170.000 -170.000 81.00 81.00 1000.000
1:CYS_27:O         1:CYS_27:C         1:SER_28:N         1:SER_28:HN        170.000 -170.000 81.00 81.00 1000.000
1:CYS_27:CA        1:CYS_27:C         1:SER_28:N         1:SER_28:HN        -10.000 10.000 81.00 81.00 1000.000
1:CYS_27:O         1:CYS_27:C         1:SER_28:N         1:SER_28:CA        -10.000 10.000 81.00 81.00 1000.000
1:SER_28:CA        1:SER_28:C         1:MET_29:N         1:MET_29:CA        170.000 -170.000 81.00 81.00 1000.000
1:SER_28:O         1:SER_28:C         1:MET_29:N         1:MET_29:HN        170.000 -170.000 81.00 81.00 1000.000
1:SER_28:CA        1:SER_28:C         1:MET_29:N         1:MET_29:HN        -10.000 10.000 81.00 81.00 1000.000
1:SER_28:O         1:SER_28:C         1:MET_29:N         1:MET_29:CA        -10.000 10.000 81.00 81.00 1000.000
1:MET_29:CA        1:MET_29:C         1:ILE_30:N         1:ILE_30:CA        170.000 -170.000 81.00 81.00 1000.000
1:MET_29:O         1:MET_29:C         1:ILE_30:N         1:ILE_30:HN        170.000 -170.000 81.00 81.00 1000.000
1:MET_29:CA        1:MET_29:C         1:ILE_30:N         1:ILE_30:HN        -10.000 10.000 81.00 81.00 1000.000
1:MET_29:O         1:MET_29:C         1:ILE_30:N         1:ILE_30:CA        -10.000 10.000 81.00 81.00 1000.000
1:ILE_30:CA        1:ILE_30:C         1:GLY_31:N         1:GLY_31:CA        170.000 -170.000 81.00 81.00 1000.000
1:ILE_30:O         1:ILE_30:C         1:GLY_31:N         1:GLY_31:HN        170.000 -170.000 81.00 81.00 1000.000
1:ILE_30:CA        1:ILE_30:C         1:GLY_31:N         1:GLY_31:HN        -10.000 10.000 81.00 81.00 1000.000
1:ILE_30:O         1:ILE_30:C         1:GLY_31:N         1:GLY_31:CA        -10.000 10.000 81.00 81.00 1000.000
1:GLY_31:CA        1:GLY_31:C         1:THR_32:N         1:THR_32:CA        170.000 -170.000 81.00 81.00 1000.000
1:GLY_31:O         1:GLY_31:C         1:THR_32:N         1:THR_32:HN        170.000 -170.000 81.00 81.00 1000.000
1:GLY_31:CA        1:GLY_31:C         1:THR_32:N         1:THR_32:HN        -10.000 10.000 81.00 81.00 1000.000
1:GLY_31:O         1:GLY_31:C         1:THR_32:N         1:THR_32:CA        -10.000 10.000 81.00 81.00 1000.000
1:THR_32:CA        1:THR_32:C         1:ASN_33:N         1:ASN_33:CA        170.000 -170.000 81.00 81.00 1000.000
1:THR_32:O         1:THR_32:C         1:ASN_33:N         1:ASN_33:HN        170.000 -170.000 81.00 81.00 1000.000
1:THR_32:CA        1:THR_32:C         1:ASN_33:N         1:ASN_33:HN        -10.000 10.000 81.00 81.00 1000.000
1:THR_32:O         1:THR_32:C         1:ASN_33:N         1:ASN_33:CA        -10.000 10.000 81.00 81.00 1000.000
1:ASN_33:CA        1:ASN_33:C         1:CYS_34:N         1:CYS_34:CA        170.000 -170.000 81.00 81.00 1000.000
1:ASN_33:O         1:ASN_33:C         1:CYS_34:N         1:CYS_34:HN        170.000 -170.000 81.00 81.00 1000.000
1:ASN_33:CA        1:ASN_33:C         1:CYS_34:N         1:CYS_34:HN        -10.000 10.000 81.00 81.00 1000.000
1:ASN_33:O         1:ASN_33:C         1:CYS_34:N         1:CYS_34:CA        -10.000 10.000 81.00 81.00 1000.000
1:CYS_34:CA        1:CYS_34:C         1:GLU_35:N         1:GLU_35:CA        170.000 -170.000 81.00 81.00 1000.000
1:CYS_34:O         1:CYS_34:C         1:GLU_35:N         1:GLU_35:HN        170.000 -170.000 81.00 81.00 1000.000
1:CYS_34:CA        1:CYS_34:C         1:GLU_35:N         1:GLU_35:HN        -10.000 10.000 81.00 81.00 1000.000
1:CYS_34:O         1:CYS_34:C         1:GLU_35:N         1:GLU_35:CA        -10.000 10.000 81.00 81.00 1000.000
1:GLU_35:CA        1:GLU_35:C         1:CYS_36:N         1:CYS_36:CA        170.000 -170.000 81.00 81.00 1000.000
1:GLU_35:O         1:GLU_35:C         1:CYS_36:N         1:CYS_36:HN        170.000 -170.000 81.00 81.00 1000.000
1:GLU_35:CA        1:GLU_35:C         1:CYS_36:N         1:CYS_36:HN        -10.000 10.000 81.00 81.00 1000.000
1:GLU_35:O         1:GLU_35:C         1:CYS_36:N         1:CYS_36:CA        -10.000 10.000 81.00 81.00 1000.000
1:CYS_36:CA        1:CYS_36:C         1:THR_37:N         1:THR_37:CA        170.000 -170.000 81.00 81.00 1000.000
1:CYS_36:O         1:CYS_36:C         1:THR_37:N         1:THR_37:HN        170.000 -170.000 81.00 81.00 1000.000
1:CYS_36:CA        1:CYS_36:C         1:THR_37:N         1:THR_37:HN        -10.000 10.000 81.00 81.00 1000.000
1:CYS_36:O         1:CYS_36:C         1:THR_37:N         1:THR_37:CA        -10.000 10.000 81.00 81.00 1000.000
1:THR_37:CA        1:THR_37:C         1:PRO_38:N         1:PRO_38:CA        170.000 -170.000 81.00 81.00 1000.000
1:THR_37:O         1:THR_37:C         1:PRO_38:N         1:PRO_38:CD        170.000 -170.000 81.00 81.00 1000.000
1:THR_37:CA        1:THR_37:C         1:PRO_38:N         1:PRO_38:CD        -10.000 10.000 81.00 81.00 1000.000
1:THR_37:O         1:THR_37:C         1:PRO_38:N         1:PRO_38:CA        -10.000 10.000 81.00 81.00 1000.000
1:PRO_38:CA        1:PRO_38:C         1:ARG_39:N         1:ARG_39:CA        170.000 -170.000 81.00 81.00 1000.000
1:PRO_38:O         1:PRO_38:C         1:ARG_39:N         1:ARG_39:HN        170.000 -170.000 81.00 81.00 1000.000
1:PRO_38:CA        1:PRO_38:C         1:ARG_39:N         1:ARG_39:HN        -10.000 10.000 81.00 81.00 1000.000
1:PRO_38:O         1:PRO_38:C         1:ARG_39:N         1:ARG_39:CA        -10.000 10.000 81.00 81.00 1000.000
1:ARG_39:CA        1:ARG_39:C         1:LEU_40:N         1:LEU_40:CA        170.000 -170.000 81.00 81.00 1000.000
1:ARG_39:O         1:ARG_39:C         1:LEU_40:N         1:LEU_40:HN        170.000 -170.000 81.00 81.00 1000.000
1:ARG_39:CA        1:ARG_39:C         1:LEU_40:N         1:LEU_40:HN        -10.000 10.000 81.00 81.00 1000.000
1:ARG_39:O         1:ARG_39:C         1:LEU_40:N         1:LEU_40:CA        -10.000 10.000 81.00 81.00 1000.000



  Entry H atom name         Orig H atom name
  Start of MODEL           1
 Raw file had  348 H/Q atoms
  Start of MODEL    1
    1   1H    GLU   1          2H        GLU   1  18.401  11.521   6.279
    2   2H    GLU   1          3H        GLU   1  17.884  11.074   4.775
    3   3H    GLU   1          1H        GLU   1  18.391  12.623   5.049
    4    HA   GLU   1           HA       GLU   1  16.546  13.051   6.560
    5   1HB   GLU   1          1HB       GLU   1  16.334  13.550   4.082
    6   2HB   GLU   1          2HB       GLU   1  15.752  11.926   3.776
    7   1HG   GLU   1          1HG       GLU   1  13.882  13.467   3.725
    8   2HG   GLU   1          2HG       GLU   1  13.662  12.382   5.080
    9    HE2  GLU   1           HE2      GLU   1  13.703  14.844   7.490
   10    H    ASP   2           H        ASP   2  15.471  12.106   8.087
   11    HA   ASP   2           HA       ASP   2  14.223   9.310   7.732
   12   1HB   ASP   2          1HB       ASP   2  15.467  10.470  10.317
   13   2HB   ASP   2          2HB       ASP   2  14.429   9.060  10.270
   14    HD1  ASP   2           HD2      ASP   2  15.040   7.318   9.163
   15    H    ASN   3           H        ASN   3  12.090   9.561   7.657
   16    HA   ASN   3           HA       ASN   3  10.489  10.659   9.652
   17   1HB   ASN   3          1HB       ASN   3   9.238  12.400   8.601
   18   2HB   ASN   3          2HB       ASN   3  10.823  12.953   9.092
   19   1HD2  ASN   3          1HD2      ASN   3  10.251  14.709   5.898
   20   2HD2  ASN   3          2HD2      ASN   3   9.620  14.676   7.621
   21    H    CYS   4           H        CYS   4  10.013   8.794   9.170
   22    HA   CYS   4           HA       CYS   4   7.764   8.179   7.107
   23   1HB   CYS   4          1HB       CYS   4   8.422   6.027   6.939
   24   2HB   CYS   4          2HB       CYS   4   9.578   6.930   6.114
   25    H    ILE   5           H        ILE   5   6.578   6.126   7.681
   26    HA   ILE   5           HA       ILE   5   5.979   6.136  10.763
   27    HB   ILE   5           HB       ILE   5   3.838   5.410   8.653
   28   1HG1  ILE   5          1HG1      ILE   5   4.121   7.890  10.336
   29   2HG1  ILE   5          2HG1      ILE   5   4.482   7.810   8.619
   30   1HG2  ILE   5          2HG2      ILE   5   3.614   4.158  10.855
   31   2HG2  ILE   5          3HG2      ILE   5   3.544   5.718  11.714
   32   3HG2  ILE   5          1HG2      ILE   5   2.297   5.244  10.544
   33   1HD1  ILE   5          3HD1      ILE   5   1.764   7.252   9.814
   34   2HD1  ILE   5          1HD1      ILE   5   2.215   8.746   9.000
   35   3HD1  ILE   5          2HD1      ILE   5   2.156   7.210   8.078
   36    H    ALA   6           H        ALA   6   7.245   4.415  11.367
   37    HA   ALA   6           HA       ALA   6   7.772   2.169   9.413
   38   1HB   ALA   6          2HB       ALA   6   9.611   3.113  10.946
   39   2HB   ALA   6          3HB       ALA   6   8.726   2.540  12.387
   40   3HB   ALA   6          1HB       ALA   6   9.410   1.376  11.228
   41    H    GLU   7           H        GLU   7   5.266   2.593  11.046
   42    HA   GLU   7           HA       GLU   7   4.662  -0.161  12.252
   43   1HB   GLU   7          1HB       GLU   7   3.288   2.556  12.528
   44   2HB   GLU   7          2HB       GLU   7   2.775   1.081  13.340
   45   1HG   GLU   7          1HG       GLU   7   4.949   0.931  14.582
   46   2HG   GLU   7          2HG       GLU   7   5.499   2.420  13.818
   47    HE1  GLU   7           HE2      GLU   7   2.683   2.464  16.735
   48    H    ASP   8           H        ASP   8   2.819  -1.176  12.183
   49    HA   ASP   8           HA       ASP   8   1.108  -0.854   9.683
   50   1HB   ASP   8          1HB       ASP   8   0.774  -3.222   9.745
   51   2HB   ASP   8          2HB       ASP   8   2.502  -3.003  10.028
   52    HD2  ASP   8           HD2      ASP   8   0.619  -5.072  10.578
   53    H    TYR   9           H        TYR   9   1.006  -0.256  12.092
   54    HA   TYR   9           HA       TYR   9  -1.912   0.444  12.534
   55   1HB   TYR   9          1HB       TYR   9  -0.702  -0.854  15.074
   56   2HB   TYR   9          2HB       TYR   9  -2.350  -0.324  14.817
   57    HD1  TYR   9           HD1      TYR   9  -3.630  -1.589  12.763
   58    HD2  TYR   9           HD2      TYR   9  -0.083  -3.171  14.590
   59    HE1  TYR   9           HE1      TYR   9  -4.233  -3.841  11.994
   60    HE2  TYR   9           HE2      TYR   9  -0.701  -5.411  13.837
   61    HH   TYR   9           HH       TYR   9  -3.641  -5.974  11.909
   62    H    GLY  10           H        GLY  10   0.673   1.809  12.169
   63   1HA   GLY  10          1HA       GLY  10   1.304   3.714  14.369
   64   2HA   GLY  10          2HA       GLY  10   1.602   3.994  12.707
   65    H    LYS  11           H        LYS  11   1.017   6.023  13.821
   66    HA   LYS  11           HA       LYS  11  -1.921   6.748  13.142
   67   1HB   LYS  11          1HB       LYS  11  -0.019   8.809  14.274
   68   2HB   LYS  11          2HB       LYS  11  -1.732   8.905  14.112
   69   1HG   LYS  11          1HG       LYS  11  -0.295   7.112  16.157
   70   2HG   LYS  11          2HG       LYS  11  -1.065   8.654  16.491
   71   1HD   LYS  11          1HD       LYS  11  -3.304   7.744  15.847
   72   2HD   LYS  11          2HD       LYS  11  -2.608   6.189  15.421
   73   1HE   LYS  11          1HE       LYS  11  -2.514   7.407  18.269
   74   2HE   LYS  11          2HE       LYS  11  -3.749   6.286  17.700
   75   1HZ   LYS  11          1HZ       LYS  11  -2.061   4.623  17.324
   76   2HZ   LYS  11          2HZ       LYS  11  -2.050   5.122  18.881
   77    H    CYS  12           H        CYS  12  -2.129   7.695  11.380
   78    HA   CYS  12           HA       CYS  12   0.088   8.945   9.657
   79   1HB   CYS  12          1HB       CYS  12  -0.288   7.484   7.716
   80   2HB   CYS  12          2HB       CYS  12   0.001   6.408   9.059
   81    H    THR  13           H        THR  13  -0.888   9.442   7.464
   82    HA   THR  13           HA       THR  13  -3.742  10.603   7.662
   83    HB   THR  13           HB       THR  13  -1.397  12.120   6.507
   84    HG1  THR  13           HG1      THR  13  -1.373  13.327   8.505
   85   1HG2  THR  13          3HG2      THR  13  -4.048  13.272   7.496
   86   2HG2  THR  13          1HG2      THR  13  -2.617  14.231   7.015
   87   3HG2  THR  13          2HG2      THR  13  -3.413  13.238   5.812
   88    H    TRP  14           H        TRP  14  -4.306  11.415   5.783
   89    HA   TRP  14           HA       TRP  14  -3.725   9.827   3.170
   90   1HB   TRP  14          1HB       TRP  14  -6.360  11.235   3.951
   91   2HB   TRP  14          2HB       TRP  14  -5.998  10.687   2.332
   92    HD1  TRP  14           HD1      TRP  14  -4.728   7.678   3.222
   93    HE1  TRP  14           HE1      TRP  14  -6.423   5.742   3.760
   94    HE3  TRP  14           HE3      TRP  14  -8.724  10.689   4.270
   95    HZ2  TRP  14           HZ2      TRP  14  -9.178   5.711   4.513
   96    HZ3  TRP  14           HZ3      TRP  14 -10.874   9.637   4.883
   97    HH2  TRP  14           HH2      TRP  14 -11.098   7.188   5.001
   98    H    GLY  15           H        GLY  15  -1.963  11.170   2.750
   99   1HA   GLY  15          1HA       GLY  15  -1.533  13.219   1.110
  100   2HA   GLY  15          2HA       GLY  15  -2.453  14.175   2.255
  101    H    GLY  16           H        GLY  16  -1.426  12.843   4.599
  102   1HA   GLY  16          1HA       GLY  16   1.155  14.247   5.244
  103   2HA   GLY  16          2HA       GLY  16   0.278  13.234   6.246
  104    H    THR  17           H        THR  17   2.188  12.403   6.778
  105    HA   THR  17           HA       THR  17   3.920  10.730   5.060
  106    HB   THR  17           HB       THR  17   3.707   9.847   8.013
  107    HG1  THR  17           HG1      THR  17   3.664  12.169   7.980
  108   1HG2  THR  17          2HG2      THR  17   5.440   8.777   6.528
  109   2HG2  THR  17          3HG2      THR  17   6.169  10.349   6.188
  110   3HG2  THR  17          1HG2      THR  17   6.169   9.686   7.838
  111    H    LYS  18           H        LYS  18   3.930   8.693   4.665
  112    HA   LYS  18           HA       LYS  18   1.621   6.732   5.316
  113   1HB   LYS  18          1HB       LYS  18   3.420   6.201   2.971
  114   2HB   LYS  18          2HB       LYS  18   1.847   5.618   3.307
  115   1HG   LYS  18          1HG       LYS  18   2.427   8.454   2.284
  116   2HG   LYS  18          2HG       LYS  18   1.890   7.107   1.309
  117   1HD   LYS  18          1HD       LYS  18   0.243   8.344   3.614
  118   2HD   LYS  18          2HD       LYS  18   0.097   8.787   1.919
  119   1HE   LYS  18          1HE       LYS  18  -0.568   6.394   1.336
  120   2HE   LYS  18          2HE       LYS  18  -0.480   5.962   3.049
  121   1HZ   LYS  18          1HZ       LYS  18  -2.250   8.052   1.909
  122   2HZ   LYS  18          2HZ       LYS  18  -2.170   7.652   3.492
  123    H    CYS  19           H        CYS  19   2.629   4.564   4.939
  124    HA   CYS  19           HA       CYS  19   4.626   4.462   7.217
  125   1HB   CYS  19          1HB       CYS  19   2.769   2.341   6.127
  126   2HB   CYS  19          2HB       CYS  19   4.211   1.805   7.005
  127    H    CYS  20           H        CYS  20   6.368   3.619   7.228
  128    HA   CYS  20           HA       CYS  20   8.179   4.665   5.743
  129   1HB   CYS  20          1HB       CYS  20   8.390   3.590   8.043
  130   2HB   CYS  20          2HB       CYS  20   8.922   2.082   7.301
  131    H    ARG  21           H        ARG  21   7.501   1.214   5.434
  132    HA   ARG  21           HA       ARG  21   9.522   0.778   3.164
  133   1HB   ARG  21          1HB       ARG  21   9.508  -0.737   5.289
  134   2HB   ARG  21          2HB       ARG  21   7.899  -1.283   4.856
  135   1HG   ARG  21          1HG       ARG  21   9.598  -2.954   4.349
  136   2HG   ARG  21          2HG       ARG  21   8.785  -2.479   2.876
  137   1HD   ARG  21          1HD       ARG  21  10.770  -0.963   2.296
  138   2HD   ARG  21          2HD       ARG  21  11.584  -1.481   3.771
  139   1HH1  ARG  21          2HH2      ARG  21  12.535  -3.244   4.447
  140   2HH1  ARG  21          1HH2      ARG  21  13.413  -4.773   3.938
  141   1HH2  ARG  21          1HH1      ARG  21  12.009  -4.779   0.785
  142   2HH2  ARG  21          2HH1      ARG  21  13.132  -5.587   1.991
  143    H    GLY  22           H        GLY  22   7.281   2.131   2.831
  144   1HA   GLY  22          1HA       GLY  22   5.673   2.631   0.965
  145   2HA   GLY  22          2HA       GLY  22   6.228   1.182   0.167
  146    H    ARG  23           H        ARG  23   4.804   1.681   3.235
  147    HA   ARG  23           HA       ARG  23   2.833  -0.595   2.822
  148   1HB   ARG  23          1HB       ARG  23   4.021   0.794   5.238
  149   2HB   ARG  23          2HB       ARG  23   2.671  -0.294   5.469
  150   1HG   ARG  23          1HG       ARG  23   5.418  -1.002   4.246
  151   2HG   ARG  23          2HG       ARG  23   5.015  -1.130   5.953
  152   1HD   ARG  23          1HD       ARG  23   3.224  -2.802   5.488
  153   2HD   ARG  23          2HD       ARG  23   3.525  -2.694   3.747
  154   1HH1  ARG  23          2HH2      ARG  23   3.053  -4.944   5.452
  155   2HH1  ARG  23          1HH2      ARG  23   3.989  -6.502   5.702
  156   1HH2  ARG  23          1HH1      ARG  23   7.021  -5.056   4.914
  157   2HH2  ARG  23          2HH1      ARG  23   6.095  -6.559   5.416
  158    HA   PRO  24           HA       PRO  24  -0.398   2.514   2.322
  159   1HB   PRO  24          1HB       PRO  24  -2.662   0.895   2.283
  160   2HB   PRO  24          2HB       PRO  24  -1.406   0.821   1.042
  161   1HG   PRO  24          1HG       PRO  24  -1.691  -1.007   3.492
  162   2HG   PRO  24          2HG       PRO  24  -1.515  -1.494   1.793
  163   1HD   PRO  24          1HD       PRO  24   0.662  -1.370   3.469
  164   2HD   PRO  24          2HD       PRO  24   0.814  -0.885   1.754
  165    H    CYS  25           H        CYS  25  -2.538   3.220   3.156
  166    HA   CYS  25           HA       CYS  25  -2.884   2.862   6.167
  167   1HB   CYS  25          1HB       CYS  25  -1.990   5.392   4.854
  168   2HB   CYS  25          2HB       CYS  25  -3.486   5.597   5.822
  169    H    ARG  26           H        ARG  26  -4.865   3.105   6.870
  170    HA   ARG  26           HA       ARG  26  -7.191   3.822   5.144
  171   1HB   ARG  26          1HB       ARG  26  -6.955   1.263   4.905
  172   2HB   ARG  26          2HB       ARG  26  -7.160   1.108   6.635
  173   1HG   ARG  26          1HG       ARG  26  -9.251   0.576   5.550
  174   2HG   ARG  26          2HG       ARG  26  -9.472   2.042   6.478
  175   1HD   ARG  26          1HD       ARG  26 -10.661   2.235   4.363
  176   2HD   ARG  26          2HD       ARG  26  -9.399   3.438   4.409
  177   1HH1  ARG  26          1HH2      ARG  26  -7.454   4.109   1.444
  178   2HH1  ARG  26          2HH2      ARG  26  -8.274   4.207   3.083
  179   1HH2  ARG  26          1HH1      ARG  26  -8.322   0.818   0.951
  180   2HH2  ARG  26          2HH1      ARG  26  -7.481   2.323   0.323
  181    H    CYS  27           H        CYS  27  -8.570   5.007   6.467
  182    HA   CYS  27           HA       CYS  27  -7.318   5.797   8.842
  183   1HB   CYS  27          1HB       CYS  27 -10.005   6.580   7.642
  184   2HB   CYS  27          2HB       CYS  27  -9.754   7.173   9.233
  185    H    SER  28           H        SER  28  -8.497   6.299  10.830
  186    HA   SER  28           HA       SER  28  -9.384   4.141  12.626
  187   1HB   SER  28          1HB       SER  28  -9.447   7.264  12.649
  188   2HB   SER  28          2HB       SER  28  -9.939   6.352  14.043
  189    HG   SER  28           HG       SER  28  -7.431   6.144  12.782
  190    H    MET  29           H        MET  29 -11.360   4.767  13.990
  191    HA   MET  29           HA       MET  29 -13.670   3.603  12.528
  192   1HB   MET  29          1HB       MET  29 -13.241   4.665  15.422
  193   2HB   MET  29          2HB       MET  29 -14.803   4.133  14.876
  194   1HG   MET  29          1HG       MET  29 -13.812   2.272  16.027
  195   2HG   MET  29          2HG       MET  29 -13.857   1.835  14.311
  196   1HE   MET  29          2HE       MET  29 -12.038  -0.084  14.628
  197   2HE   MET  29          1HE       MET  29 -10.484   0.152  15.481
  198   3HE   MET  29          3HE       MET  29 -12.023   0.258  16.387
  199    H    ILE  30           H        ILE  30 -12.911   6.855  13.528
  200    HA   ILE  30           HA       ILE  30 -15.704   7.951  13.035
  201    HB   ILE  30           HB       ILE  30 -14.130   8.894  14.859
  202   1HG1  ILE  30          1HG1      ILE  30 -14.454  11.363  14.294
  203   2HG1  ILE  30          2HG1      ILE  30 -14.947  10.941  12.666
  204   1HG2  ILE  30          3HG2      ILE  30 -11.927   8.795  13.513
  205   2HG2  ILE  30          1HG2      ILE  30 -12.496  10.170  12.537
  206   3HG2  ILE  30          2HG2      ILE  30 -12.222  10.361  14.278
  207   1HD1  ILE  30          2HD1      ILE  30 -16.419  10.086  15.260
  208   2HD1  ILE  30          3HD1      ILE  30 -16.886  11.431  14.192
  209   3HD1  ILE  30          1HD1      ILE  30 -16.989   9.761  13.599
  210    H    GLY  31           H        GLY  31 -12.611   8.078  11.275
  211   1HA   GLY  31          1HA       GLY  31 -13.152   7.769   8.619
  212   2HA   GLY  31          2HA       GLY  31 -14.064   9.254   8.816
  213    H    THR  32           H        THR  32 -12.274  10.531  10.588
  214    HA   THR  32           HA       THR  32  -9.887  11.233   8.765
  215    HB   THR  32           HB       THR  32  -9.739  13.393  10.070
  216    HG1  THR  32           HG1      THR  32 -11.596  13.981  11.270
  217   1HG2  THR  32          3HG2      THR  32 -10.988  13.373   7.860
  218   2HG2  THR  32          1HG2      THR  32 -12.512  13.024   8.718
  219   3HG2  THR  32          2HG2      THR  32 -11.667  14.564   8.991
  220    H    ASN  33           H        ASN  33  -7.888  11.731   9.966
  221    HA   ASN  33           HA       ASN  33  -6.148  11.407  11.537
  222   1HB   ASN  33          1HB       ASN  33  -8.436  10.587  13.509
  223   2HB   ASN  33          2HB       ASN  33  -6.791  10.378  13.906
  224   1HD2  ASN  33          1HD2      ASN  33  -8.364  14.142  14.144
  225   2HD2  ASN  33          2HD2      ASN  33  -9.323  12.702  13.532
  226    H    CYS  34           H        CYS  34  -6.024   9.895   9.686
  227    HA   CYS  34           HA       CYS  34  -6.913   7.259   9.849
  228   1HB   CYS  34          1HB       CYS  34  -4.550   8.336   8.271
  229   2HB   CYS  34          2HB       CYS  34  -4.944   6.635   8.087
  230    H    GLU  35           H        GLU  35  -5.620   5.213   9.707
  231    HA   GLU  35           HA       GLU  35  -3.078   5.201  11.431
  232   1HB   GLU  35          1HB       GLU  35  -4.771   2.665  11.493
  233   2HB   GLU  35          2HB       GLU  35  -3.472   3.100  12.490
  234   1HG   GLU  35          1HG       GLU  35  -4.685   4.799  13.756
  235   2HG   GLU  35          2HG       GLU  35  -6.139   4.535  12.781
  236    HE1  GLU  35           HE2      GLU  35  -4.967   1.855  15.592
  237    H    CYS  36           H        CYS  36  -2.031   3.073  11.100
  238    HA   CYS  36           HA       CYS  36  -1.472   2.730   8.075
  239   1HB   CYS  36          1HB       CYS  36   0.376   2.420  10.532
  240   2HB   CYS  36          2HB       CYS  36   0.712   1.403   9.232
  241    H    THR  37           H        THR  37  -1.060   0.705   7.261
  242    HA   THR  37           HA       THR  37  -2.466  -1.681   8.530
  243    HB   THR  37           HB       THR  37  -3.636  -2.138   6.308
  244    HG1  THR  37           HG1      THR  37  -3.957  -0.304   4.983
  245   1HG2  THR  37          1HG2      THR  37  -4.910  -1.115   8.268
  246   2HG2  THR  37          2HG2      THR  37  -4.530   0.517   7.654
  247   3HG2  THR  37          3HG2      THR  37  -5.545  -0.582   6.697
  248    HA   PRO  38           HA       PRO  38   1.308  -3.529   6.706
  249   1HB   PRO  38          1HB       PRO  38   0.648  -6.255   6.833
  250   2HB   PRO  38          2HB       PRO  38   1.064  -5.267   8.235
  251   1HG   PRO  38          1HG       PRO  38  -1.732  -5.995   7.232
  252   2HG   PRO  38          2HG       PRO  38  -1.101  -6.096   8.895
  253   1HD   PRO  38          1HD       PRO  38  -2.609  -3.934   8.073
  254   2HD   PRO  38          2HD       PRO  38  -1.274  -3.720   9.212
  255    H    ARG  39           H        ARG  39  -1.613  -5.018   5.281
  256    HA   ARG  39           HA       ARG  39  -0.751  -4.165   2.529
  257   1HB   ARG  39          1HB       ARG  39  -0.730  -6.426   1.500
  258   2HB   ARG  39          2HB       ARG  39   0.561  -6.187   2.640
  259   1HG   ARG  39          1HG       ARG  39  -0.827  -7.589   4.367
  260   2HG   ARG  39          2HG       ARG  39  -1.934  -7.931   3.048
  261   1HD   ARG  39          1HD       ARG  39  -0.439  -9.807   3.159
  262   2HD   ARG  39          2HD       ARG  39   0.001  -8.916   1.699
  263   1HH1  ARG  39          2HH2      ARG  39   1.459 -10.454   1.432
  264   2HH1  ARG  39          1HH2      ARG  39   3.259 -10.775   1.590
  265   1HH2  ARG  39          1HH1      ARG  39   3.649  -8.564   4.203
  266   2HH2  ARG  39          2HH1      ARG  39   4.413  -9.775   3.055
  267    H    LEU  40           H        LEU  40  -2.466  -3.651   1.458
  268    HA   LEU  40           HA       LEU  40  -5.255  -4.704   2.241
  269   1HB   LEU  40          1HB       LEU  40  -4.484  -2.054   0.878
  270   2HB   LEU  40          2HB       LEU  40  -6.126  -2.594   1.155
  271    HG   LEU  40           HG       LEU  40  -4.090  -1.980   3.382
  272   1HD1  LEU  40          3HD1      LEU  40  -4.802   0.056   2.048
  273   2HD1  LEU  40          1HD1      LEU  40  -6.497  -0.281   2.467
  274   3HD1  LEU  40          2HD1      LEU  40  -5.317   0.118   3.742
  275   1HD2  LEU  40          2HD2      LEU  40  -7.115  -2.597   3.610
  276   2HD2  LEU  40          3HD2      LEU  40  -5.784  -3.617   4.210
  277   3HD2  LEU  40          1HD2      LEU  40  -6.077  -2.033   4.940
  278    H    ILE  41           H        ILE  41  -6.082  -6.040   0.820
  279    HA   ILE  41           HA       ILE  41  -4.894  -6.522  -1.879
  280    HB   ILE  41           HB       ILE  41  -5.803  -8.360  -0.341
  281   1HG1  ILE  41          1HG1      ILE  41  -7.249  -8.258  -3.087
  282   2HG1  ILE  41          2HG1      ILE  41  -5.525  -8.537  -2.916
  283   1HG2  ILE  41          1HG2      ILE  41  -7.957  -7.157   0.437
  284   2HG2  ILE  41          2HG2      ILE  41  -8.649  -7.387  -1.186
  285   3HG2  ILE  41          3HG2      ILE  41  -8.259  -8.788  -0.168
  286   1HD1  ILE  41          1HD1      ILE  41  -5.949 -10.627  -1.562
  287   2HD1  ILE  41          2HD1      ILE  41  -7.704 -10.405  -1.796
  288   3HD1  ILE  41          3HD1      ILE  41  -6.649 -10.692  -3.197
  289    H    MET  42           H        MET  42  -5.527  -5.823  -3.748
  290    HA   MET  42           HA       MET  42  -6.439  -4.480  -5.465
  291   1HB   MET  42          1HB       MET  42  -8.627  -5.742  -4.880
  292   2HB   MET  42          2HB       MET  42  -9.086  -4.422  -3.821
  293   1HG   MET  42          1HG       MET  42 -10.200  -4.224  -6.023
  294   2HG   MET  42          2HG       MET  42  -9.142  -2.842  -5.750
  295   1HE   MET  42          2HE       MET  42 -10.010  -5.869  -8.021
  296   2HE   MET  42          1HE       MET  42  -8.485  -6.230  -8.883
  297   3HE   MET  42          3HE       MET  42  -8.654  -6.657  -7.155
  298    H    GLU  43           H        GLU  43  -5.169  -2.821  -5.221
  299    HA   GLU  43           HA       GLU  43  -4.317  -0.656  -4.839
  300   1HB   GLU  43          1HB       GLU  43  -6.936   0.014  -3.287
  301   2HB   GLU  43          2HB       GLU  43  -5.631   1.108  -3.597
  302   1HG   GLU  43          1HG       GLU  43  -7.159   1.734  -5.206
  303   2HG   GLU  43          2HG       GLU  43  -5.947   0.853  -6.112
  304    HE2  GLU  43           HE2      GLU  43  -8.175  -1.451  -7.342
  305    H    GLY  44           H        GLY  44  -2.882  -0.133  -3.433
  306   1HA   GLY  44          1HA       GLY  44  -1.998   0.366  -1.168
  307   2HA   GLY  44          2HA       GLY  44  -3.024  -0.853  -0.445
  308    H    LEU  45           H        LEU  45  -2.161  -2.832  -0.182
  309    HA   LEU  45           HA       LEU  45  -0.753  -4.717  -0.142
  310   1HB   LEU  45          1HB       LEU  45   0.295  -3.644  -2.875
  311   2HB   LEU  45          2HB       LEU  45   0.660  -5.220  -2.235
  312    HG   LEU  45           HG       LEU  45  -2.210  -4.325  -2.887
  313   1HD1  LEU  45          3HD1      LEU  45  -0.817  -4.350  -4.955
  314   2HD1  LEU  45          1HD1      LEU  45  -0.285  -6.014  -4.608
  315   3HD1  LEU  45          2HD1      LEU  45  -1.997  -5.674  -4.969
  316   1HD2  LEU  45          2HD2      LEU  45  -1.067  -7.142  -2.286
  317   2HD2  LEU  45          3HD2      LEU  45  -2.167  -6.212  -1.239
  318   3HD2  LEU  45          1HD2      LEU  45  -2.731  -6.793  -2.815
  319    H    SER  46           H        SER  46   1.296  -5.429   0.356
  320    HA   SER  46           HA       SER  46   3.035  -3.484   1.726
  321   1HB   SER  46          1HB       SER  46   4.455  -5.499   2.270
  322   2HB   SER  46          2HB       SER  46   2.764  -5.764   2.639
  323    HG   SER  46           HG       SER  46   2.587  -6.871   0.629
  324    H    PHE  47           H        PHE  47   4.669  -2.424   1.033
  325    HA   PHE  47           HA       PHE  47   6.338  -1.404  -0.290
  326   1HB   PHE  47          1HB       PHE  47   7.406  -3.776   0.098
  327   2HB   PHE  47          2HB       PHE  47   6.859  -4.230  -1.493
  328    HD1  PHE  47           HD1      PHE  47   9.104  -1.919   0.423
  329    HD2  PHE  47           HD2      PHE  47   8.070  -3.357  -3.498
  330    HE1  PHE  47           HE1      PHE  47  11.132  -0.883  -0.499
  331    HE2  PHE  47           HE2      PHE  47  10.105  -2.313  -4.404
  332    HZ   PHE  47           HZ       PHE  47  11.637  -1.074  -2.912
  333    H    ALA  48           H        ALA  48   4.992  -0.142  -1.404
  334    HA   ALA  48           HA       ALA  48   4.598  -0.680  -4.356
  335   1HB   ALA  48          1HB       ALA  48   2.177  -0.112  -2.484
  336   2HB   ALA  48          2HB       ALA  48   2.125  -0.159  -4.264
  337   3HB   ALA  48          3HB       ALA  48   2.489  -1.635  -3.350
  338    HXT  ALA  48           HO       ALA  48   4.012   2.952  -2.549
   
  No H/Q in entry =         338
  Start of MODEL           2
 Raw file had  348 H/Q atoms
  Start of MODEL    2
    1   1H    GLU   1          1H        GLU   1  11.692   5.674   5.626
    2   2H    GLU   1          2H        GLU   1  12.636   6.638   4.673
    3   3H    GLU   1          3H        GLU   1  12.566   5.012   4.390
    4    HA   GLU   1           HA       GLU   1  13.635   4.521   6.520
    5   1HB   GLU   1          1HB       GLU   1  14.955   4.858   4.354
    6   2HB   GLU   1          2HB       GLU   1  15.147   6.566   4.731
    7   1HG   GLU   1          1HG       GLU   1  16.425   5.872   6.871
    8   2HG   GLU   1          2HG       GLU   1  16.254   4.190   6.380
    9    HE1  GLU   1           HE2      GLU   1  18.824   6.718   4.512
   10    H    ASP   2           H        ASP   2  14.300   7.980   5.955
   11    HA   ASP   2           HA       ASP   2  14.214   8.502   8.947
   12   1HB   ASP   2          1HB       ASP   2  15.183  10.693   8.417
   13   2HB   ASP   2          2HB       ASP   2  16.115   9.419   7.690
   14    HD2  ASP   2           HD2      ASP   2  16.164   9.216   5.588
   15    H    ASN   3           H        ASN   3  12.654   9.464   9.960
   16    HA   ASN   3           HA       ASN   3  10.714  10.643  10.602
   17   1HB   ASN   3          1HB       ASN   3  10.867  11.906   7.798
   18   2HB   ASN   3          2HB       ASN   3   9.902  12.572   9.090
   19   1HD2  ASN   3          1HD2      ASN   3  12.666  14.271  10.705
   20   2HD2  ASN   3          2HD2      ASN   3  11.021  13.505  10.978
   21    H    CYS   4           H        CYS   4  10.622   8.373   8.860
   22    HA   CYS   4           HA       CYS   4   7.870   8.319   7.548
   23   1HB   CYS   4          1HB       CYS   4   8.328   6.203   6.996
   24   2HB   CYS   4          2HB       CYS   4   9.562   7.077   6.293
   25    H    ILE   5           H        ILE   5   6.509   6.229   7.821
   26    HA   ILE   5           HA       ILE   5   6.005   5.850  10.877
   27    HB   ILE   5           HB       ILE   5   3.724   5.279   8.899
   28   1HG1  ILE   5          1HG1      ILE   5   4.058   7.771  10.572
   29   2HG1  ILE   5          2HG1      ILE   5   4.525   7.750   8.882
   30   1HG2  ILE   5          3HG2      ILE   5   3.783   5.555  11.963
   31   2HG2  ILE   5          1HG2      ILE   5   2.354   5.316  10.959
   32   3HG2  ILE   5          2HG2      ILE   5   3.550   4.056  11.024
   33   1HD1  ILE   5          3HD1      ILE   5   1.754   7.059   9.839
   34   2HD1  ILE   5          1HD1      ILE   5   2.239   8.634   9.204
   35   3HD1  ILE   5          2HD1      ILE   5   2.287   7.197   8.139
   36    H    ALA   6           H        ALA   6   7.430   4.145  11.038
   37    HA   ALA   6           HA       ALA   6   7.581   2.006   8.894
   38   1HB   ALA   6          2HB       ALA   6   9.674   2.853  10.098
   39   2HB   ALA   6          3HB       ALA   6   9.058   2.224  11.651
   40   3HB   ALA   6          1HB       ALA   6   9.491   1.107  10.334
   41    H    GLU   7           H        GLU   7   5.396   2.386  10.909
   42    HA   GLU   7           HA       GLU   7   4.989  -0.369  12.121
   43   1HB   GLU   7          1HB       GLU   7   3.592   2.349  12.642
   44   2HB   GLU   7          2HB       GLU   7   3.257   0.890  13.523
   45   1HG   GLU   7          1HG       GLU   7   4.588   1.994  15.019
   46   2HG   GLU   7          2HG       GLU   7   5.699   0.825  14.332
   47    HE2  GLU   7           HE2      GLU   7   7.961   3.270  13.566
   48    H    ASP   8           H        ASP   8   3.036  -1.157  12.537
   49    HA   ASP   8           HA       ASP   8   0.962  -0.987  10.278
   50   1HB   ASP   8          1HB       ASP   8   1.199  -3.351  12.152
   51   2HB   ASP   8          2HB       ASP   8   0.109  -3.158  10.801
   52    HD2  ASP   8           HD2      ASP   8   2.014  -5.116  11.341
   53    H    TYR   9           H        TYR   9  -0.705  -0.332  11.046
   54    HA   TYR   9           HA       TYR   9  -2.281   1.107  12.252
   55   1HB   TYR   9          1HB       TYR   9  -1.593  -0.700  14.695
   56   2HB   TYR   9          2HB       TYR   9  -3.042   0.240  14.464
   57    HD1  TYR   9           HD1      TYR   9  -4.480  -0.329  12.216
   58    HD2  TYR   9           HD2      TYR   9  -1.597  -3.009  13.956
   59    HE1  TYR   9           HE1      TYR   9  -5.270  -2.151  10.759
   60    HE2  TYR   9           HE2      TYR   9  -2.401  -4.812  12.497
   61    HH   TYR   9           HH       TYR   9  -3.804  -5.388  10.885
   62    H    GLY  10           H        GLY  10   0.511   1.972  12.125
   63   1HA   GLY  10          1HA       GLY  10   0.973   3.792  14.524
   64   2HA   GLY  10          2HA       GLY  10   1.907   3.845  13.119
   65    H    LYS  11           H        LYS  11   0.848   5.887  14.252
   66    HA   LYS  11           HA       LYS  11  -1.732   6.782  12.935
   67   1HB   LYS  11          1HB       LYS  11   0.121   8.822  14.218
   68   2HB   LYS  11          2HB       LYS  11  -1.580   8.953  13.930
   69   1HG   LYS  11          1HG       LYS  11  -2.055   7.115  15.610
   70   2HG   LYS  11          2HG       LYS  11  -0.353   7.078  16.047
   71   1HD   LYS  11          1HD       LYS  11  -2.196   9.547  16.296
   72   2HD   LYS  11          2HD       LYS  11  -1.839   8.417  17.596
   73   1HE   LYS  11          1HE       LYS  11   0.628   9.020  17.476
   74   2HE   LYS  11          2HE       LYS  11   0.280  10.180  16.186
   75   1HZ   LYS  11          1HZ       LYS  11  -1.148  11.388  17.694
   76   2HZ   LYS  11          2HZ       LYS  11   0.365  11.264  18.301
   77    H    CYS  12           H        CYS  12  -1.913   7.688  11.263
   78    HA   CYS  12           HA       CYS  12   0.201   9.090   9.525
   79   1HB   CYS  12          1HB       CYS  12  -0.455   7.776   7.473
   80   2HB   CYS  12          2HB       CYS  12   0.116   6.679   8.691
   81    H    THR  13           H        THR  13  -0.847   9.878   7.481
   82    HA   THR  13           HA       THR  13  -3.817  10.519   7.713
   83    HB   THR  13           HB       THR  13  -3.873  12.772   7.871
   84    HG1  THR  13           HG1      THR  13  -2.321  14.196   7.034
   85   1HG2  THR  13          2HG2      THR  13  -2.350  12.377   9.919
   86   2HG2  THR  13          3HG2      THR  13  -0.918  12.657   8.886
   87   3HG2  THR  13          1HG2      THR  13  -2.060  13.975   9.194
   88    H    TRP  14           H        TRP  14  -4.711  11.068   5.847
   89    HA   TRP  14           HA       TRP  14  -3.284  10.375   3.217
   90   1HB   TRP  14          1HB       TRP  14  -6.243  11.065   3.752
   91   2HB   TRP  14          2HB       TRP  14  -5.565  10.760   2.166
   92    HD1  TRP  14           HD1      TRP  14  -3.684   8.073   3.289
   93    HE1  TRP  14           HE1      TRP  14  -4.891   5.752   3.537
   94    HE3  TRP  14           HE3      TRP  14  -8.452   9.916   3.464
   95    HZ2  TRP  14           HZ2      TRP  14  -7.632   4.984   3.746
   96    HZ3  TRP  14           HZ3      TRP  14 -10.331   8.324   3.677
   97    HH2  TRP  14           HH2      TRP  14  -9.929   5.899   3.816
   98    H    GLY  15           H        GLY  15  -1.961  11.926   2.877
   99   1HA   GLY  15          1HA       GLY  15  -1.348  14.187   1.934
  100   2HA   GLY  15          2HA       GLY  15  -2.726  14.906   2.772
  101    H    GLY  16           H        GLY  16   0.052  12.848   3.496
  102   1HA   GLY  16          1HA       GLY  16   1.157  14.357   5.927
  103   2HA   GLY  16          2HA       GLY  16   0.151  12.991   6.269
  104    H    THR  17           H        THR  17   1.984  12.253   7.184
  105    HA   THR  17           HA       THR  17   4.093  10.920   5.447
  106    HB   THR  17           HB       THR  17   3.715   9.744   8.263
  107    HG1  THR  17           HG1      THR  17   4.956  11.497   9.056
  108   1HG2  THR  17          2HG2      THR  17   5.527   8.930   6.718
  109   2HG2  THR  17          3HG2      THR  17   6.245  10.555   6.697
  110   3HG2  THR  17          1HG2      THR  17   6.131   9.632   8.216
  111    H    LYS  18           H        LYS  18   4.051   8.949   4.819
  112    HA   LYS  18           HA       LYS  18   1.634   7.026   5.098
  113   1HB   LYS  18          1HB       LYS  18   3.697   6.545   2.979
  114   2HB   LYS  18          2HB       LYS  18   2.062   6.049   3.068
  115   1HG   LYS  18          1HG       LYS  18   2.901   8.904   2.314
  116   2HG   LYS  18          2HG       LYS  18   2.410   7.632   1.207
  117   1HD   LYS  18          1HD       LYS  18   0.120   7.549   2.245
  118   2HD   LYS  18          2HD       LYS  18   0.581   8.798   3.407
  119   1HE   LYS  18          1HE       LYS  18   0.973  10.443   1.531
  120   2HE   LYS  18          2HE       LYS  18   0.557   9.202   0.337
  121   1HZ   LYS  18          1HZ       LYS  18  -1.300  10.639   0.852
  122   2HZ   LYS  18          2HZ       LYS  18  -1.246  10.260   2.441
  123    H    CYS  19           H        CYS  19   2.578   4.810   4.714
  124    HA   CYS  19           HA       CYS  19   4.234   4.532   7.256
  125   1HB   CYS  19          1HB       CYS  19   2.515   2.414   5.926
  126   2HB   CYS  19          2HB       CYS  19   3.242   2.327   7.549
  127    H    CYS  20           H        CYS  20   6.038   4.396   6.969
  128    HA   CYS  20           HA       CYS  20   7.902   5.028   5.688
  129   1HB   CYS  20          1HB       CYS  20   8.136   3.641   7.749
  130   2HB   CYS  20          2HB       CYS  20   8.432   2.188   6.760
  131    H    ARG  21           H        ARG  21   9.006   1.803   4.892
  132    HA   ARG  21           HA       ARG  21   9.125   2.606   1.971
  133   1HB   ARG  21          1HB       ARG  21  11.147   1.177   1.911
  134   2HB   ARG  21          2HB       ARG  21  11.278   2.231   3.289
  135   1HG   ARG  21          1HG       ARG  21  10.560   0.265   4.807
  136   2HG   ARG  21          2HG       ARG  21  10.478  -0.746   3.378
  137   1HD   ARG  21          1HD       ARG  21  12.586  -1.266   4.338
  138   2HD   ARG  21          2HD       ARG  21  12.965  -0.287   2.931
  139   1HH1  ARG  21          2HH2      ARG  21  12.285  -0.841   6.478
  140   2HH1  ARG  21          1HH2      ARG  21  13.069   0.019   7.897
  141   1HH2  ARG  21          1HH1      ARG  21  14.603   2.371   5.895
  142   2HH2  ARG  21          2HH1      ARG  21  14.299   1.723   7.585
  143    H    GLY  22           H        GLY  22   6.958   1.390   3.092
  144   1HA   GLY  22          1HA       GLY  22   5.939   0.161   0.666
  145   2HA   GLY  22          2HA       GLY  22   6.518  -1.220   1.590
  146    H    ARG  23           H        ARG  23   4.965   0.918   3.671
  147    HA   ARG  23           HA       ARG  23   2.618  -1.016   3.838
  148   1HB   ARG  23          1HB       ARG  23   3.994   0.841   5.820
  149   2HB   ARG  23          2HB       ARG  23   2.316   0.345   6.080
  150   1HG   ARG  23          1HG       ARG  23   3.898  -0.821   7.435
  151   2HG   ARG  23          2HG       ARG  23   2.822  -1.836   6.501
  152   1HD   ARG  23          1HD       ARG  23   4.967  -2.945   6.463
  153   2HD   ARG  23          2HD       ARG  23   4.713  -2.304   4.850
  154   1HH1  ARG  23          2HH2      ARG  23   6.245  -2.557   8.085
  155   2HH1  ARG  23          1HH2      ARG  23   7.897  -1.920   8.565
  156   1HH2  ARG  23          1HH1      ARG  23   8.205   0.026   5.737
  157   2HH2  ARG  23          2HH1      ARG  23   8.936  -0.551   7.318
  158    HA   PRO  24           HA       PRO  24   0.001   2.644   2.442
  159   1HB   PRO  24          1HB       PRO  24  -2.316   1.253   1.939
  160   2HB   PRO  24          2HB       PRO  24  -0.905   1.135   0.880
  161   1HG   PRO  24          1HG       PRO  24  -1.799  -0.845   3.022
  162   2HG   PRO  24          2HG       PRO  24  -1.250  -1.189   1.370
  163   1HD   PRO  24          1HD       PRO  24   0.393  -1.324   3.656
  164   2HD   PRO  24          2HD       PRO  24   1.030  -1.060   2.006
  165    H    CYS  25           H        CYS  25  -2.346   3.227   3.207
  166    HA   CYS  25           HA       CYS  25  -2.647   2.709   6.225
  167   1HB   CYS  25          1HB       CYS  25  -2.077   5.327   4.903
  168   2HB   CYS  25          2HB       CYS  25  -3.522   5.368   5.955
  169    H    ARG  26           H        ARG  26  -4.619   2.806   7.005
  170    HA   ARG  26           HA       ARG  26  -7.058   3.241   5.304
  171   1HB   ARG  26          1HB       ARG  26  -6.672   0.710   5.338
  172   2HB   ARG  26          2HB       ARG  26  -6.798   0.732   7.094
  173   1HG   ARG  26          1HG       ARG  26  -9.167   1.632   6.890
  174   2HG   ARG  26          2HG       ARG  26  -9.015   1.616   5.129
  175   1HD   ARG  26          1HD       ARG  26  -8.646  -0.892   5.176
  176   2HD   ARG  26          2HD       ARG  26  -8.765  -0.879   6.945
  177   1HH1  ARG  26          2HH2      ARG  26  -9.671  -2.855   6.082
  178   2HH1  ARG  26          1HH2      ARG  26 -11.321  -3.655   6.003
  179   1HH2  ARG  26          1HH1      ARG  26 -13.009  -0.661   5.775
  180   2HH2  ARG  26          2HH1      ARG  26 -13.082  -2.494   5.840
  181    H    CYS  27           H        CYS  27  -8.278   4.627   6.486
  182    HA   CYS  27           HA       CYS  27  -7.055   5.632   8.867
  183   1HB   CYS  27          1HB       CYS  27  -9.816   6.427   7.750
  184   2HB   CYS  27          2HB       CYS  27  -8.914   7.374   8.885
  185    H    SER  28           H        SER  28  -8.294   6.282  10.817
  186    HA   SER  28           HA       SER  28  -9.441   4.126  12.470
  187   1HB   SER  28          1HB       SER  28  -9.230   7.229  12.712
  188   2HB   SER  28          2HB       SER  28  -9.861   6.261  14.017
  189    HG   SER  28           HG       SER  28  -7.334   5.898  12.829
  190    H    MET  29           H        MET  29 -11.396   4.827  13.810
  191    HA   MET  29           HA       MET  29 -13.770   3.996  12.235
  192   1HB   MET  29          1HB       MET  29 -13.298   4.845  15.192
  193   2HB   MET  29          2HB       MET  29 -14.897   4.536  14.592
  194   1HG   MET  29          1HG       MET  29 -14.175   2.502  15.638
  195   2HG   MET  29          2HG       MET  29 -14.200   2.174  13.897
  196   1HE   MET  29          3HE       MET  29 -12.692   0.234  15.811
  197   2HE   MET  29          2HE       MET  29 -12.558   0.069  14.032
  198   3HE   MET  29          1HE       MET  29 -11.086   0.050  15.046
  199    H    ILE  30           H        ILE  30 -12.685   7.091  13.383
  200    HA   ILE  30           HA       ILE  30 -15.310   8.553  12.872
  201    HB   ILE  30           HB       ILE  30 -12.477   9.721  13.479
  202   1HG1  ILE  30          1HG1      ILE  30 -13.171   8.462  15.448
  203   2HG1  ILE  30          2HG1      ILE  30 -13.307  10.162  15.780
  204   1HG2  ILE  30          1HG2      ILE  30 -15.288  11.064  13.474
  205   2HG2  ILE  30          2HG2      ILE  30 -13.788  11.832  14.053
  206   3HG2  ILE  30          3HG2      ILE  30 -13.955  11.404  12.348
  207   1HD1  ILE  30          1HD1      ILE  30 -15.847  10.010  15.547
  208   2HD1  ILE  30          2HD1      ILE  30 -15.687   8.262  15.225
  209   3HD1  ILE  30          3HD1      ILE  30 -15.195   8.928  16.797
  210    H    GLY  31           H        GLY  31 -12.035   8.769  11.502
  211   1HA   GLY  31          1HA       GLY  31 -12.263   8.433   8.727
  212   2HA   GLY  31          2HA       GLY  31 -13.119   9.965   8.912
  213    H    THR  32           H        THR  32 -11.689  11.222  10.788
  214    HA   THR  32           HA       THR  32  -9.003  11.880   9.459
  215    HB   THR  32           HB       THR  32  -8.862  13.767  11.124
  216    HG1  THR  32           HG1      THR  32 -11.563  13.022  11.665
  217   1HG2  THR  32          2HG2      THR  32  -9.845  14.219   8.827
  218   2HG2  THR  32          3HG2      THR  32 -11.478  13.855   9.444
  219   3HG2  THR  32          1HG2      THR  32 -10.580  15.259  10.067
  220    H    ASN  33           H        ASN  33  -7.161  11.909  10.741
  221    HA   ASN  33           HA       ASN  33  -5.481  11.041  12.190
  222   1HB   ASN  33          1HB       ASN  33  -7.859  10.323  14.094
  223   2HB   ASN  33          2HB       ASN  33  -6.249   9.825  14.402
  224   1HD2  ASN  33          1HD2      ASN  33  -7.226  13.729  15.165
  225   2HD2  ASN  33          2HD2      ASN  33  -8.387  12.574  14.337
  226    H    CYS  34           H        CYS  34  -5.732   9.833  10.090
  227    HA   CYS  34           HA       CYS  34  -6.758   7.117  10.014
  228   1HB   CYS  34          1HB       CYS  34  -4.416   8.217   8.363
  229   2HB   CYS  34          2HB       CYS  34  -5.349   6.799   7.958
  230    H    GLU  35           H        GLU  35  -5.402   5.108   9.687
  231    HA   GLU  35           HA       GLU  35  -2.719   5.166  11.205
  232   1HB   GLU  35          1HB       GLU  35  -4.292   2.622  11.654
  233   2HB   GLU  35          2HB       GLU  35  -3.053   3.361  12.579
  234   1HG   GLU  35          1HG       GLU  35  -4.563   5.084  13.538
  235   2HG   GLU  35          2HG       GLU  35  -5.926   4.416  12.640
  236    HE2  GLU  35           HE2      GLU  35  -6.476   1.760  14.745
  237    H    CYS  36           H        CYS  36  -1.679   3.041  11.016
  238    HA   CYS  36           HA       CYS  36  -1.093   2.647   8.044
  239   1HB   CYS  36          1HB       CYS  36   0.520   1.745  10.577
  240   2HB   CYS  36          2HB       CYS  36   1.098   1.456   9.008
  241    H    THR  37           H        THR  37  -0.616   0.491   7.241
  242    HA   THR  37           HA       THR  37  -2.140  -1.811   8.555
  243    HB   THR  37           HB       THR  37  -3.135  -2.398   6.243
  244    HG1  THR  37           HG1      THR  37  -3.376  -0.608   4.844
  245   1HG2  THR  37          2HG2      THR  37  -4.551  -1.341   8.078
  246   2HG2  THR  37          3HG2      THR  37  -4.158   0.277   7.437
  247   3HG2  THR  37          1HG2      THR  37  -5.081  -0.879   6.447
  248    HA   PRO  38           HA       PRO  38   1.465  -4.169   6.990
  249   1HB   PRO  38          1HB       PRO  38   0.344  -6.760   6.986
  250   2HB   PRO  38          2HB       PRO  38   0.821  -5.887   8.442
  251   1HG   PRO  38          1HG       PRO  38  -1.971  -6.101   7.211
  252   2HG   PRO  38          2HG       PRO  38  -1.498  -6.374   8.909
  253   1HD   PRO  38          1HD       PRO  38  -2.548  -3.966   8.122
  254   2HD   PRO  38          2HD       PRO  38  -1.248  -4.003   9.318
  255    H    ARG  39           H        ARG  39   2.175  -5.553   5.285
  256    HA   ARG  39           HA       ARG  39   1.388  -4.330   2.730
  257   1HB   ARG  39          1HB       ARG  39   3.384  -6.649   3.261
  258   2HB   ARG  39          2HB       ARG  39   3.195  -5.803   1.731
  259   1HG   ARG  39          1HG       ARG  39   3.798  -3.613   2.905
  260   2HG   ARG  39          2HG       ARG  39   4.143  -4.547   4.363
  261   1HD   ARG  39          1HD       ARG  39   5.893  -5.883   3.087
  262   2HD   ARG  39          2HD       ARG  39   5.560  -4.914   1.636
  263   1HH1  ARG  39          2HH2      ARG  39   7.881  -5.502   1.874
  264   2HH1  ARG  39          1HH2      ARG  39   9.463  -4.614   2.145
  265   1HH2  ARG  39          1HH1      ARG  39   8.004  -2.136   4.039
  266   2HH2  ARG  39          2HH1      ARG  39   9.526  -2.834   3.289
  267    H    LEU  40           H        LEU  40  -0.024  -4.961   1.345
  268    HA   LEU  40           HA       LEU  40  -0.676  -7.931   0.884
  269   1HB   LEU  40          1HB       LEU  40  -2.891  -7.459   0.261
  270   2HB   LEU  40          2HB       LEU  40  -2.660  -6.850   1.872
  271    HG   LEU  40           HG       LEU  40  -2.898  -5.109  -0.667
  272   1HD1  LEU  40          3HD1      LEU  40  -5.001  -6.327  -0.148
  273   2HD1  LEU  40          1HD1      LEU  40  -4.990  -5.691   1.517
  274   3HD1  LEU  40          2HD1      LEU  40  -5.189  -4.587   0.132
  275   1HD2  LEU  40          1HD2      LEU  40  -2.828  -4.220   2.298
  276   2HD2  LEU  40          2HD2      LEU  40  -1.643  -3.802   1.034
  277   3HD2  LEU  40          3HD2      LEU  40  -3.289  -3.174   0.930
  278    H    ILE  41           H        ILE  41   0.340  -8.450  -0.891
  279    HA   ILE  41           HA       ILE  41   1.263  -6.344  -2.874
  280    HB   ILE  41           HB       ILE  41   2.016  -9.357  -2.738
  281   1HG1  ILE  41          1HG1      ILE  41   2.822  -8.347  -0.676
  282   2HG1  ILE  41          2HG1      ILE  41   4.172  -8.612  -1.740
  283   1HG2  ILE  41          3HG2      ILE  41   3.270  -6.959  -4.285
  284   2HG2  ILE  41          1HG2      ILE  41   3.968  -8.595  -4.193
  285   3HG2  ILE  41          2HG2      ILE  41   2.420  -8.342  -5.006
  286   1HD1  ILE  41          2HD1      ILE  41   4.239  -6.107  -2.269
  287   2HD1  ILE  41          3HD1      ILE  41   2.876  -5.865  -1.143
  288   3HD1  ILE  41          1HD1      ILE  41   4.433  -6.467  -0.539
  289    H    MET  42           H        MET  42  -0.256  -5.862  -4.279
  290    HA   MET  42           HA       MET  42  -1.868  -8.057  -5.741
  291   1HB   MET  42          1HB       MET  42  -2.840  -5.231  -4.949
  292   2HB   MET  42          2HB       MET  42  -3.737  -6.406  -5.898
  293   1HG   MET  42          1HG       MET  42  -2.939  -6.707  -2.940
  294   2HG   MET  42          2HG       MET  42  -4.559  -6.389  -3.573
  295   1HE   MET  42          3HE       MET  42  -4.664  -8.619  -1.672
  296   2HE   MET  42          2HE       MET  42  -4.154 -10.261  -2.170
  297   3HE   MET  42          1HE       MET  42  -2.922  -9.023  -1.788
  298    H    GLU  43           H        GLU  43  -0.366  -8.139  -7.388
  299    HA   GLU  43           HA       GLU  43  -0.418  -5.887  -9.410
  300   1HB   GLU  43          1HB       GLU  43   1.517  -5.423  -7.819
  301   2HB   GLU  43          2HB       GLU  43   2.275  -6.950  -8.264
  302   1HG   GLU  43          1HG       GLU  43   2.459  -6.086 -10.668
  303   2HG   GLU  43          2HG       GLU  43   1.620  -4.617 -10.188
  304    HE2  GLU  43           HE2      GLU  43   5.532  -5.163  -9.423
  305    H    GLY  44           H        GLY  44  -0.138  -6.554 -11.365
  306   1HA   GLY  44          1HA       GLY  44   0.281  -7.935 -13.291
  307   2HA   GLY  44          2HA       GLY  44   1.044  -9.120 -12.259
  308    H    LEU  45           H        LEU  45  -2.226  -7.846 -12.934
  309    HA   LEU  45           HA       LEU  45  -3.197 -10.490 -13.882
  310   1HB   LEU  45          1HB       LEU  45  -3.463 -10.576 -11.279
  311   2HB   LEU  45          2HB       LEU  45  -4.628  -9.296 -11.390
  312    HG   LEU  45           HG       LEU  45  -5.654 -11.467 -11.083
  313   1HD1  LEU  45          3HD1      LEU  45  -6.982  -9.821 -12.445
  314   2HD1  LEU  45          1HD1      LEU  45  -6.403 -10.603 -13.937
  315   3HD1  LEU  45          2HD1      LEU  45  -7.404 -11.513 -12.784
  316   1HD2  LEU  45          2HD2      LEU  45  -3.932 -12.943 -12.124
  317   2HD2  LEU  45          3HD2      LEU  45  -5.569 -13.353 -12.673
  318   3HD2  LEU  45          1HD2      LEU  45  -4.474 -12.457 -13.750
  319    H    SER  46           H        SER  46  -4.833  -7.634 -12.517
  320    HA   SER  46           HA       SER  46  -5.474  -6.617 -15.363
  321   1HB   SER  46          1HB       SER  46  -7.568  -7.136 -14.061
  322   2HB   SER  46          2HB       SER  46  -7.063  -6.035 -12.773
  323    HG   SER  46           HG       SER  46  -6.998  -4.374 -14.359
  324    H    PHE  47           H        PHE  47  -3.380  -5.788 -15.436
  325    HA   PHE  47           HA       PHE  47  -2.806  -3.245 -13.878
  326   1HB   PHE  47          1HB       PHE  47  -1.966  -5.202 -12.458
  327   2HB   PHE  47          2HB       PHE  47  -0.969  -5.751 -13.776
  328    HD1  PHE  47           HD1      PHE  47  -1.546  -2.794 -11.479
  329    HD2  PHE  47           HD2      PHE  47   1.279  -4.832 -14.008
  330    HE1  PHE  47           HE1      PHE  47   0.248  -1.300 -10.698
  331    HE2  PHE  47           HE2      PHE  47   3.058  -3.330 -13.214
  332    HZ   PHE  47           HZ       PHE  47   2.548  -1.560 -11.567
  333    H    ALA  48           H        ALA  48  -1.864  -1.844 -15.141
  334    HA   ALA  48           HA       ALA  48  -0.620  -2.559 -17.831
  335   1HB   ALA  48          1HB       ALA  48  -1.107   0.198 -16.486
  336   2HB   ALA  48          2HB       ALA  48  -0.491  -0.069 -18.134
  337   3HB   ALA  48          3HB       ALA  48  -2.142  -0.563 -17.720
  338    HXT  ALA  48           HO       ALA  48   1.959  -1.028 -15.032
   
  No H/Q in entry =         338
  Start of MODEL           3
 Raw file had  348 H/Q atoms
  Start of MODEL    3
    1   1H    GLU   1          3H        GLU   1   3.584  11.208  11.893
    2   2H    GLU   1          1H        GLU   1   4.530  10.276  10.911
    3   3H    GLU   1          2H        GLU   1   3.233   9.607  11.684
    4    HA   GLU   1           HA       GLU   1   4.268   9.974  13.870
    5   1HB   GLU   1          1HB       GLU   1   4.522   7.840  12.482
    6   2HB   GLU   1          2HB       GLU   1   6.033   8.422  11.824
    7   1HG   GLU   1          1HG       GLU   1   5.451   7.884  14.821
    8   2HG   GLU   1          2HG       GLU   1   6.102   6.691  13.715
    9    HE1  GLU   1           HE2      GLU   1   9.281   8.208  13.421
   10    H    ASP   2           H        ASP   2   7.110  10.127  11.734
   11    HA   ASP   2           HA       ASP   2   7.647  13.032  12.394
   12   1HB   ASP   2          1HB       ASP   2   9.488  10.763  13.438
   13   2HB   ASP   2          2HB       ASP   2  10.108  12.367  13.118
   14    HD1  ASP   2           HD2      ASP   2   9.134  14.090  14.081
   15    H    ASN   3           H        ASN   3   9.705  10.333  11.271
   16    HA   ASN   3           HA       ASN   3  10.323  11.805   8.670
   17   1HB   ASN   3          1HB       ASN   3  11.637   9.363   9.996
   18   2HB   ASN   3          2HB       ASN   3  12.079   9.984   8.426
   19   1HD2  ASN   3          1HD2      ASN   3  13.704  11.827  11.644
   20   2HD2  ASN   3          2HD2      ASN   3  12.601  10.366  11.777
   21    H    CYS   4           H        CYS   4   9.952   8.710   9.368
   22    HA   CYS   4           HA       CYS   4   7.705   8.135   7.268
   23   1HB   CYS   4          1HB       CYS   4   8.396   6.000   7.010
   24   2HB   CYS   4          2HB       CYS   4   9.532   6.955   6.224
   25    H    ILE   5           H        ILE   5   6.536   6.030   7.743
   26    HA   ILE   5           HA       ILE   5   5.896   5.947  10.809
   27    HB   ILE   5           HB       ILE   5   3.781   5.152   8.703
   28   1HG1  ILE   5          1HG1      ILE   5   4.015   7.723  10.278
   29   2HG1  ILE   5          2HG1      ILE   5   4.379   7.593   8.577
   30   1HG2  ILE   5          2HG2      ILE   5   3.598   4.017  10.989
   31   2HG2  ILE   5          3HG2      ILE   5   3.449   5.634  11.731
   32   3HG2  ILE   5          1HG2      ILE   5   2.251   5.035  10.576
   33   1HD1  ILE   5          3HD1      ILE   5   1.669   6.983   9.777
   34   2HD1  ILE   5          1HD1      ILE   5   2.121   8.482   8.958
   35   3HD1  ILE   5          2HD1      ILE   5   2.093   6.946   8.044
   36    H    ALA   6           H        ALA   6   7.273   4.272  11.313
   37    HA   ALA   6           HA       ALA   6   7.715   2.045   9.308
   38   1HB   ALA   6          2HB       ALA   6   9.651   3.038  10.679
   39   2HB   ALA   6          3HB       ALA   6   8.902   2.449  12.189
   40   3HB   ALA   6          1HB       ALA   6   9.515   1.298  10.979
   41    H    GLU   7           H        GLU   7   5.338   2.418  11.213
   42    HA   GLU   7           HA       GLU   7   4.916  -0.500  12.047
   43   1HB   GLU   7          1HB       GLU   7   4.605   2.217  13.519
   44   2HB   GLU   7          2HB       GLU   7   3.436   1.043  13.937
   45   1HG   GLU   7          1HG       GLU   7   5.072   0.801  15.584
   46   2HG   GLU   7          2HG       GLU   7   5.269  -0.619  14.575
   47    HE1  GLU   7           HE2      GLU   7   8.074   2.359  14.573
   48    H    ASP   8           H        ASP   8   3.249  -1.540  12.326
   49    HA   ASP   8           HA       ASP   8   0.754  -1.078  10.705
   50   1HB   ASP   8          1HB       ASP   8   1.475  -3.316  11.114
   51   2HB   ASP   8          2HB       ASP   8   1.327  -3.103  12.901
   52    HD2  ASP   8           HD2      ASP   8   0.186  -4.893  12.776
   53    H    TYR   9           H        TYR   9  -0.824  -0.459  11.505
   54    HA   TYR   9           HA       TYR   9  -2.327   1.292  12.471
   55   1HB   TYR   9          1HB       TYR   9  -1.569  -0.136  15.123
   56   2HB   TYR   9          2HB       TYR   9  -3.032   0.755  14.808
   57    HD1  TYR   9           HD2      TYR   9  -4.178  -0.277  12.297
   58    HD2  TYR   9           HD1      TYR   9  -1.931  -2.481  15.232
   59    HE1  TYR   9           HE2      TYR   9  -5.206  -2.368  11.534
   60    HE2  TYR   9           HE1      TYR   9  -2.994  -4.554  14.476
   61    HH   TYR   9           HH       TYR   9  -5.343  -4.559  11.800
   62    H    GLY  10           H        GLY  10   0.634   2.003  12.364
   63   1HA   GLY  10          1HA       GLY  10   1.053   4.072  14.509
   64   2HA   GLY  10          2HA       GLY  10   2.012   3.977  13.125
   65    H    LYS  11           H        LYS  11   0.776   6.032  14.169
   66    HA   LYS  11           HA       LYS  11  -1.763   6.743  12.695
   67   1HB   LYS  11          1HB       LYS  11  -1.345   7.665  14.921
   68   2HB   LYS  11          2HB       LYS  11  -0.100   8.768  14.273
   69   1HG   LYS  11          1HG       LYS  11  -1.852   9.904  12.903
   70   2HG   LYS  11          2HG       LYS  11  -3.074   8.756  13.416
   71   1HD   LYS  11          1HD       LYS  11  -1.591  10.669  15.336
   72   2HD   LYS  11          2HD       LYS  11  -3.101  11.055  14.520
   73   1HE   LYS  11          1HE       LYS  11  -4.242   9.075  15.645
   74   2HE   LYS  11          2HE       LYS  11  -2.744   8.720  16.519
   75   1HZ   LYS  11          1HZ       LYS  11  -4.270  10.043  17.819
   76   2HZ   LYS  11          2HZ       LYS  11  -4.307  11.235  16.701
   77    H    CYS  12           H        CYS  12  -1.933   7.716  11.237
   78    HA   CYS  12           HA       CYS  12   0.113   9.088   9.365
   79   1HB   CYS  12          1HB       CYS  12  -0.668   7.716   7.367
   80   2HB   CYS  12          2HB       CYS  12  -0.024   6.671   8.601
   81    H    THR  13           H        THR  13  -0.996   9.838   7.348
   82    HA   THR  13           HA       THR  13  -3.953  10.497   7.603
   83    HB   THR  13           HB       THR  13  -3.986  12.757   7.649
   84    HG1  THR  13           HG1      THR  13  -2.424  14.122   6.716
   85   1HG2  THR  13          2HG2      THR  13  -2.414  12.444   9.683
   86   2HG2  THR  13          3HG2      THR  13  -1.008  12.671   8.604
   87   3HG2  THR  13          1HG2      THR  13  -2.138  14.008   8.877
   88    H    TRP  14           H        TRP  14  -4.846  10.958   5.703
   89    HA   TRP  14           HA       TRP  14  -3.422  10.086   3.114
   90   1HB   TRP  14          1HB       TRP  14  -6.385  10.784   3.625
   91   2HB   TRP  14          2HB       TRP  14  -5.715  10.417   2.049
   92    HD1  TRP  14           HD1      TRP  14  -3.786   7.813   3.301
   93    HE1  TRP  14           HE1      TRP  14  -4.952   5.485   3.630
   94    HE3  TRP  14           HE3      TRP  14  -8.591   9.572   3.356
   95    HZ2  TRP  14           HZ2      TRP  14  -7.678   4.672   3.850
   96    HZ3  TRP  14           HZ3      TRP  14 -10.440   7.951   3.610
   97    HH2  TRP  14           HH2      TRP  14  -9.992   5.542   3.853
   98    H    GLY  15           H        GLY  15  -2.089  11.599   2.710
   99   1HA   GLY  15          1HA       GLY  15  -1.466  13.794   1.614
  100   2HA   GLY  15          2HA       GLY  15  -2.831  14.573   2.418
  101    H    GLY  16           H        GLY  16  -0.065  12.535   3.243
  102   1HA   GLY  16          1HA       GLY  16   1.081  14.172   5.564
  103   2HA   GLY  16          2HA       GLY  16   0.047  12.856   6.008
  104    H    THR  17           H        THR  17   1.916  12.178   6.965
  105    HA   THR  17           HA       THR  17   3.944  10.639   5.298
  106    HB   THR  17           HB       THR  17   3.607   9.789   8.241
  107    HG1  THR  17           HG1      THR  17   4.958  11.556   8.788
  108   1HG2  THR  17          2HG2      THR  17   5.357   8.703   6.794
  109   2HG2  THR  17          3HG2      THR  17   6.111  10.268   6.475
  110   3HG2  THR  17          1HG2      THR  17   6.070   9.601   8.125
  111    H    LYS  18           H        LYS  18   3.879   8.569   4.935
  112    HA   LYS  18           HA       LYS  18   1.587   6.679   5.777
  113   1HB   LYS  18          1HB       LYS  18   2.918   6.267   3.103
  114   2HB   LYS  18          2HB       LYS  18   1.486   5.569   3.758
  115   1HG   LYS  18          1HG       LYS  18   0.263   7.799   3.620
  116   2HG   LYS  18          2HG       LYS  18   1.627   8.461   2.735
  117   1HD   LYS  18          1HD       LYS  18  -0.089   6.043   1.879
  118   2HD   LYS  18          2HD       LYS  18  -0.289   7.672   1.277
  119   1HE   LYS  18          1HE       LYS  18   2.231   5.930   0.817
  120   2HE   LYS  18          2HE       LYS  18   0.907   6.130  -0.323
  121   1HZ   LYS  18          1HZ       LYS  18   1.394   8.475  -0.469
  122   2HZ   LYS  18          2HZ       LYS  18   2.704   7.583  -0.866
  123    H    CYS  19           H        CYS  19   2.503   4.539   5.112
  124    HA   CYS  19           HA       CYS  19   4.591   4.269   7.222
  125   1HB   CYS  19          1HB       CYS  19   2.759   2.230   5.980
  126   2HB   CYS  19          2HB       CYS  19   4.258   1.592   6.678
  127    H    CYS  20           H        CYS  20   6.356   3.489   7.189
  128    HA   CYS  20           HA       CYS  20   8.147   4.687   5.763
  129   1HB   CYS  20          1HB       CYS  20   8.395   3.518   8.011
  130   2HB   CYS  20          2HB       CYS  20   8.956   2.054   7.205
  131    H    ARG  21           H        ARG  21   7.596   1.223   5.314
  132    HA   ARG  21           HA       ARG  21   9.603   0.998   2.996
  133   1HB   ARG  21          1HB       ARG  21   8.116  -1.200   4.638
  134   2HB   ARG  21          2HB       ARG  21   9.209  -1.550   3.311
  135   1HG   ARG  21          1HG       ARG  21  11.138  -0.527   4.524
  136   2HG   ARG  21          2HG       ARG  21  10.094  -0.143   5.896
  137   1HD   ARG  21          1HD       ARG  21   9.563  -2.609   6.193
  138   2HD   ARG  21          2HD       ARG  21  10.635  -2.998   4.835
  139   1HH1  ARG  21          2HH2      ARG  21  10.811  -4.628   6.701
  140   2HH1  ARG  21          1HH2      ARG  21  12.108  -5.142   7.892
  141   1HH2  ARG  21          1HH1      ARG  21  13.552  -2.010   7.996
  142   2HH2  ARG  21          2HH1      ARG  21  13.563  -3.750   8.579
  143    H    GLY  22           H        GLY  22   7.211   2.223   2.810
  144   1HA   GLY  22          1HA       GLY  22   5.760   2.790   0.845
  145   2HA   GLY  22          2HA       GLY  22   6.374   1.376   0.033
  146    H    ARG  23           H        ARG  23   4.637   1.960   2.922
  147    HA   ARG  23           HA       ARG  23   2.588  -0.237   2.285
  148   1HB   ARG  23          1HB       ARG  23   3.917   0.727   4.823
  149   2HB   ARG  23          2HB       ARG  23   2.379  -0.082   4.956
  150   1HG   ARG  23          1HG       ARG  23   5.074  -1.132   4.032
  151   2HG   ARG  23          2HG       ARG  23   4.090  -1.663   5.376
  152   1HD   ARG  23          1HD       ARG  23   3.642  -2.249   2.379
  153   2HD   ARG  23          2HD       ARG  23   4.094  -3.396   3.629
  154   1HH1  ARG  23          2HH2      ARG  23   2.632  -4.381   1.879
  155   2HH1  ARG  23          1HH2      ARG  23   0.929  -5.057   1.765
  156   1HH2  ARG  23          1HH1      ARG  23  -0.283  -3.003   4.252
  157   2HH2  ARG  23          2HH1      ARG  23  -0.614  -4.324   3.023
  158    HA   PRO  24           HA       PRO  24  -0.541   3.189   2.180
  159   1HB   PRO  24          1HB       PRO  24  -2.383   0.716   2.163
  160   2HB   PRO  24          2HB       PRO  24  -2.457   2.152   1.124
  161   1HG   PRO  24          1HG       PRO  24  -1.455  -0.168   0.141
  162   2HG   PRO  24          2HG       PRO  24  -0.622   1.361  -0.239
  163   1HD   PRO  24          1HD       PRO  24   0.151  -0.715   1.890
  164   2HD   PRO  24          2HD       PRO  24   1.173   0.163   0.712
  165    H    CYS  25           H        CYS  25  -2.716   3.506   3.220
  166    HA   CYS  25           HA       CYS  25  -2.720   2.661   6.170
  167   1HB   CYS  25          1HB       CYS  25  -2.439   5.397   5.023
  168   2HB   CYS  25          2HB       CYS  25  -3.844   5.269   6.125
  169    H    ARG  26           H        ARG  26  -4.664   2.673   7.147
  170    HA   ARG  26           HA       ARG  26  -7.228   2.859   5.572
  171   1HB   ARG  26          1HB       ARG  26  -6.725   0.384   5.695
  172   2HB   ARG  26          2HB       ARG  26  -6.579   0.480   7.438
  173   1HG   ARG  26          1HG       ARG  26  -8.730  -0.457   6.899
  174   2HG   ARG  26          2HG       ARG  26  -9.003   1.116   7.636
  175   1HD   ARG  26          1HD       ARG  26  -9.399   2.127   5.336
  176   2HD   ARG  26          2HD       ARG  26  -9.091   0.548   4.589
  177   1HH1  ARG  26          2HH2      ARG  26 -10.770   1.927   3.497
  178   2HH1  ARG  26          1HH2      ARG  26 -12.567   1.795   3.154
  179   1HH2  ARG  26          1HH1      ARG  26 -13.220   0.054   6.054
  180   2HH2  ARG  26          2HH1      ARG  26 -13.860   0.804   4.506
  181    H    CYS  27           H        CYS  27  -8.339   4.366   6.672
  182    HA   CYS  27           HA       CYS  27  -7.088   5.509   8.971
  183   1HB   CYS  27          1HB       CYS  27  -9.880   6.215   7.864
  184   2HB   CYS  27          2HB       CYS  27  -8.965   7.227   8.933
  185    H    SER  28           H        SER  28  -8.303   6.255  10.909
  186    HA   SER  28           HA       SER  28  -9.480   4.202  12.688
  187   1HB   SER  28          1HB       SER  28  -9.222   7.308  12.761
  188   2HB   SER  28          2HB       SER  28  -9.877   6.416  14.109
  189    HG   SER  28           HG       SER  28  -7.345   5.957  12.961
  190    H    MET  29           H        MET  29 -11.438   5.040  13.966
  191    HA   MET  29           HA       MET  29 -13.771   4.057  12.427
  192   1HB   MET  29          1HB       MET  29 -13.375   5.156  15.310
  193   2HB   MET  29          2HB       MET  29 -14.953   4.749  14.716
  194   1HG   MET  29          1HG       MET  29 -14.127   2.845  15.978
  195   2HG   MET  29          2HG       MET  29 -14.272   2.374  14.284
  196   1HE   MET  29          2HE       MET  29 -11.924   2.913  17.356
  197   2HE   MET  29          1HE       MET  29 -10.283   2.950  16.644
  198   3HE   MET  29          3HE       MET  29 -11.375   4.349  16.434
  199    H    ILE  30           H        ILE  30 -12.779   7.253  13.377
  200    HA   ILE  30           HA       ILE  30 -15.421   8.611  12.676
  201    HB   ILE  30           HB       ILE  30 -12.640   9.871  13.336
  202   1HG1  ILE  30          1HG1      ILE  30 -13.456   8.740  15.346
  203   2HG1  ILE  30          2HG1      ILE  30 -13.600  10.460  15.548
  204   1HG2  ILE  30          2HG2      ILE  30 -15.455  11.178  13.062
  205   2HG2  ILE  30          3HG2      ILE  30 -14.003  12.002  13.687
  206   3HG2  ILE  30          1HG2      ILE  30 -14.051  11.459  12.008
  207   1HD1  ILE  30          2HD1      ILE  30 -16.123  10.298  15.177
  208   2HD1  ILE  30          3HD1      ILE  30 -15.957   8.531  14.993
  209   3HD1  ILE  30          1HD1      ILE  30 -15.552   9.308  16.538
  210    H    GLY  31           H        GLY  31 -12.100   8.808  11.415
  211   1HA   GLY  31          1HA       GLY  31 -12.271   8.356   8.636
  212   2HA   GLY  31          2HA       GLY  31 -13.102   9.905   8.761
  213    H    THR  32           H        THR  32 -11.705  11.212  10.610
  214    HA   THR  32           HA       THR  32  -8.993  11.816   9.317
  215    HB   THR  32           HB       THR  32  -8.880  13.739  10.947
  216    HG1  THR  32           HG1      THR  32 -11.581  12.981  11.471
  217   1HG2  THR  32          2HG2      THR  32  -9.833  14.144   8.631
  218   2HG2  THR  32          3HG2      THR  32 -11.473  13.783   9.231
  219   3HG2  THR  32          1HG2      THR  32 -10.592  15.202   9.840
  220    H    ASN  33           H        ASN  33  -7.170  11.889  10.615
  221    HA   ASN  33           HA       ASN  33  -5.492  11.056  12.090
  222   1HB   ASN  33          1HB       ASN  33  -7.865  10.331  13.996
  223   2HB   ASN  33          2HB       ASN  33  -6.229   9.940  14.335
  224   1HD2  ASN  33          1HD2      ASN  33  -7.443  13.745  15.092
  225   2HD2  ASN  33          2HD2      ASN  33  -8.554  12.462  14.393
  226    H    CYS  34           H        CYS  34  -5.792   9.779   9.995
  227    HA   CYS  34           HA       CYS  34  -6.801   7.068  10.026
  228   1HB   CYS  34          1HB       CYS  34  -4.501   8.129   8.301
  229   2HB   CYS  34          2HB       CYS  34  -5.405   6.675   7.965
  230    H    GLU  35           H        GLU  35  -5.464   5.042   9.755
  231    HA   GLU  35           HA       GLU  35  -2.731   5.136  11.179
  232   1HB   GLU  35          1HB       GLU  35  -4.272   2.616  11.803
  233   2HB   GLU  35          2HB       GLU  35  -3.061   3.461  12.680
  234   1HG   GLU  35          1HG       GLU  35  -4.640   5.179  13.535
  235   2HG   GLU  35          2HG       GLU  35  -5.970   4.402  12.677
  236    HE1  GLU  35           HE2      GLU  35  -4.431   2.814  16.063
  237    H    CYS  36           H        CYS  36  -1.704   2.950  11.007
  238    HA   CYS  36           HA       CYS  36  -1.331   2.556   7.999
  239   1HB   CYS  36          1HB       CYS  36   0.489   2.152  10.489
  240   2HB   CYS  36          2HB       CYS  36   0.901   1.221   9.143
  241    H    THR  37           H        THR  37  -0.850   0.581   7.070
  242    HA   THR  37           HA       THR  37  -2.348  -1.831   8.197
  243    HB   THR  37           HB       THR  37  -2.198  -2.740   5.844
  244    HG1  THR  37           HG1      THR  37  -1.163  -0.143   5.303
  245   1HG2  THR  37          2HG2      THR  37  -4.229  -1.385   6.557
  246   2HG2  THR  37          3HG2      THR  37  -3.444   0.105   5.978
  247   3HG2  THR  37          1HG2      THR  37  -3.878  -1.179   4.825
  248    HA   PRO  38           HA       PRO  38   1.668  -3.943   8.913
  249   1HB   PRO  38          1HB       PRO  38   0.828  -6.603   9.036
  250   2HB   PRO  38          2HB       PRO  38   0.416  -5.416  10.258
  251   1HG   PRO  38          1HG       PRO  38  -1.296  -6.319   7.880
  252   2HG   PRO  38          2HG       PRO  38  -1.780  -6.202   9.591
  253   1HD   PRO  38          1HD       PRO  38  -2.313  -4.142   7.782
  254   2HD   PRO  38          2HD       PRO  38  -1.999  -3.830   9.462
  255    H    ARG  39           H        ARG  39   3.332  -4.838   7.840
  256    HA   ARG  39           HA       ARG  39   3.125  -5.183   4.864
  257   1HB   ARG  39          1HB       ARG  39   5.540  -5.521   4.908
  258   2HB   ARG  39          2HB       ARG  39   5.088  -4.068   5.758
  259   1HG   ARG  39          1HG       ARG  39   5.501  -5.204   7.969
  260   2HG   ARG  39          2HG       ARG  39   5.978  -6.682   7.149
  261   1HD   ARG  39          1HD       ARG  39   7.404  -3.948   6.759
  262   2HD   ARG  39          2HD       ARG  39   7.865  -5.136   7.953
  263   1HH1  ARG  39          2HH2      ARG  39   7.364  -3.764   4.704
  264   2HH1  ARG  39          1HH2      ARG  39   8.267  -4.167   3.159
  265   1HH2  ARG  39          1HH1      ARG  39   9.737  -6.982   4.485
  266   2HH2  ARG  39          2HH1      ARG  39   9.517  -5.865   3.046
  267    H    LEU  40           H        LEU  40   2.900  -6.944   3.805
  268    HA   LEU  40           HA       LEU  40   3.114  -9.722   5.092
  269   1HB   LEU  40          1HB       LEU  40   0.823 -10.256   4.351
  270   2HB   LEU  40          2HB       LEU  40   0.853  -8.918   5.447
  271    HG   LEU  40           HG       LEU  40   0.698  -7.412   3.188
  272   1HD1  LEU  40          1HD1      LEU  40  -0.598 -10.067   2.263
  273   2HD1  LEU  40          2HD1      LEU  40  -0.741  -8.495   1.438
  274   3HD1  LEU  40          3HD1      LEU  40   0.828  -9.302   1.529
  275   1HD2  LEU  40          2HD2      LEU  40  -0.974  -7.399   5.029
  276   2HD2  LEU  40          3HD2      LEU  40  -1.775  -7.371   3.448
  277   3HD2  LEU  40          1HD2      LEU  40  -1.728  -8.882   4.394
  278    H    ILE  41           H        ILE  41   3.202 -11.437   3.671
  279    HA   ILE  41           HA       ILE  41   4.653 -10.861   1.098
  280    HB   ILE  41           HB       ILE  41   5.466 -12.639   2.733
  281   1HG1  ILE  41          1HG1      ILE  41   5.776 -14.533   1.054
  282   2HG1  ILE  41          2HG1      ILE  41   4.610 -13.792  -0.026
  283   1HG2  ILE  41          3HG2      ILE  41   3.183 -13.556   3.489
  284   2HG2  ILE  41          1HG2      ILE  41   2.985 -14.335   1.900
  285   3HG2  ILE  41          2HG2      ILE  41   4.305 -14.823   2.980
  286   1HD1  ILE  41          3HD1      ILE  41   7.296 -12.513   0.853
  287   2HD1  ILE  41          1HD1      ILE  41   6.992 -13.348  -0.690
  288   3HD1  ILE  41          2HD1      ILE  41   6.165 -11.817  -0.340
  289    H    MET  42           H        MET  42   3.827 -10.857  -0.809
  290    HA   MET  42           HA       MET  42   0.964 -11.780  -1.390
  291   1HB   MET  42          1HB       MET  42   1.702  -9.405  -2.003
  292   2HB   MET  42          2HB       MET  42   2.882 -10.071  -3.124
  293   1HG   MET  42          1HG       MET  42   0.990 -11.105  -4.468
  294   2HG   MET  42          2HG       MET  42  -0.184 -10.471  -3.292
  295   1HE   MET  42          1HE       MET  42  -1.467  -9.203  -5.281
  296   2HE   MET  42          3HE       MET  42  -0.661  -8.083  -6.420
  297   3HE   MET  42          2HE       MET  42  -0.274  -9.829  -6.462
  298    H    GLU  43           H        GLU  43   0.606 -13.474  -2.699
  299    HA   GLU  43           HA       GLU  43   2.812 -15.380  -3.295
  300   1HB   GLU  43          1HB       GLU  43   0.548 -16.070  -2.556
  301   2HB   GLU  43          2HB       GLU  43  -0.200 -15.473  -4.040
  302   1HG   GLU  43          1HG       GLU  43   1.113 -17.222  -5.351
  303   2HG   GLU  43          2HG       GLU  43   1.904 -17.743  -3.872
  304    HE2  GLU  43           HE2      GLU  43  -1.790 -18.975  -4.811
  305    H    GLY  44           H        GLY  44   3.778 -15.723  -5.028
  306   1HA   GLY  44          1HA       GLY  44   2.979 -14.793  -7.808
  307   2HA   GLY  44          2HA       GLY  44   4.431 -14.008  -7.165
  308    H    LEU  45           H        LEU  45   3.194 -16.753  -8.602
  309    HA   LEU  45           HA       LEU  45   4.027 -18.948  -9.210
  310   1HB   LEU  45          1HB       LEU  45   6.256 -18.639  -7.072
  311   2HB   LEU  45          2HB       LEU  45   5.965 -20.054  -8.037
  312    HG   LEU  45           HG       LEU  45   6.774 -17.352  -9.264
  313   1HD1  LEU  45          3HD1      LEU  45   8.573 -18.203  -7.758
  314   2HD1  LEU  45          1HD1      LEU  45   8.562 -19.777  -8.592
  315   3HD1  LEU  45          2HD1      LEU  45   9.071 -18.304  -9.457
  316   1HD2  LEU  45          3HD2      LEU  45   6.729 -20.180 -10.522
  317   2HD2  LEU  45          1HD2      LEU  45   5.631 -18.837 -10.927
  318   3HD2  LEU  45          2HD2      LEU  45   7.357 -18.705 -11.299
  319    H    SER  46           H        SER  46   2.844 -20.530  -8.329
  320    HA   SER  46           HA       SER  46   1.185 -19.986  -5.993
  321   1HB   SER  46          1HB       SER  46   0.146 -22.205  -6.469
  322   2HB   SER  46          2HB       SER  46   0.350 -21.271  -7.942
  323    HG   SER  46           HG       SER  46   2.249 -22.486  -8.359
  324    H    PHE  47           H        PHE  47   1.679 -20.179  -3.980
  325    HA   PHE  47           HA       PHE  47   3.835 -22.131  -2.986
  326   1HB   PHE  47          1HB       PHE  47   2.770 -19.561  -1.655
  327   2HB   PHE  47          2HB       PHE  47   4.062 -20.567  -1.056
  328    HD1  PHE  47           HD1      PHE  47   5.890 -21.014  -3.373
  329    HD2  PHE  47           HD2      PHE  47   3.703 -17.478  -2.246
  330    HE1  PHE  47           HE1      PHE  47   7.521 -19.611  -4.557
  331    HE2  PHE  47           HE2      PHE  47   5.349 -16.097  -3.434
  332    HZ   PHE  47           HZ       PHE  47   7.257 -17.156  -4.593
  333    H    ALA  48           H        ALA  48   0.937 -20.592  -1.570
  334    HA   ALA  48           HA       ALA  48   0.236 -23.161  -0.061
  335   1HB   ALA  48          3HB       ALA  48  -1.039 -20.332   0.070
  336   2HB   ALA  48          1HB       ALA  48  -1.461 -21.719   1.103
  337   3HB   ALA  48          2HB       ALA  48   0.155 -20.998   1.212
  338    HXT  ALA  48           HO       ALA  48  -2.564 -21.905  -2.779
   
  No H/Q in entry =         338
  Start of MODEL           4
 Raw file had  348 H/Q atoms
  Start of MODEL    4
    1   1H    GLU   1          1H        GLU   1  11.740   3.774   9.097
    2   2H    GLU   1          2H        GLU   1  13.312   3.264   9.109
    3   3H    GLU   1          3H        GLU   1  12.205   2.552  10.108
    4    HA   GLU   1           HA       GLU   1  11.902   4.595  11.376
    5   1HB   GLU   1          1HB       GLU   1  14.854   3.668  11.034
    6   2HB   GLU   1          2HB       GLU   1  14.313   4.746  12.311
    7   1HG   GLU   1          1HG       GLU   1  12.696   2.952  13.139
    8   2HG   GLU   1          2HG       GLU   1  13.362   1.837  11.955
    9    HE1  GLU   1           HE2      GLU   1  16.526   1.601  13.542
   10    H    ASP   2           H        ASP   2  12.347   6.690  11.665
   11    HA   ASP   2           HA       ASP   2  13.001   8.926  11.404
   12   1HB   ASP   2          1HB       ASP   2  15.361   7.853  11.123
   13   2HB   ASP   2          2HB       ASP   2  15.162   7.932   9.384
   14    HD2  ASP   2           HD2      ASP   2  16.186   9.426   8.642
   15    H    ASN   3           H        ASN   3  11.635  10.153  10.453
   16    HA   ASN   3           HA       ASN   3  10.367  11.433   8.933
   17   1HB   ASN   3          1HB       ASN   3  12.316  10.325   6.820
   18   2HB   ASN   3          2HB       ASN   3  11.263  11.680   6.510
   19   1HD2  ASN   3          1HD2      ASN   3  13.331  14.105   8.258
   20   2HD2  ASN   3          2HD2      ASN   3  11.592  13.676   7.862
   21    H    CYS   4           H        CYS   4  10.062   8.597   9.181
   22    HA   CYS   4           HA       CYS   4   7.729   8.117   7.167
   23   1HB   CYS   4          1HB       CYS   4   8.350   5.938   6.965
   24   2HB   CYS   4          2HB       CYS   4   9.498   6.869   6.133
   25    H    ILE   5           H        ILE   5   6.567   6.020   7.716
   26    HA   ILE   5           HA       ILE   5   5.959   5.979  10.789
   27    HB   ILE   5           HB       ILE   5   3.799   5.226   8.699
   28   1HG1  ILE   5          1HG1      ILE   5   4.069   7.729  10.372
   29   2HG1  ILE   5          2HG1      ILE   5   4.383   7.645   8.650
   30   1HG2  ILE   5          2HG2      ILE   5   3.600   3.980  10.880
   31   2HG2  ILE   5          3HG2      ILE   5   3.551   5.527  11.767
   32   3HG2  ILE   5          1HG2      ILE   5   2.282   5.074  10.620
   33   1HD1  ILE   5          2HD1      ILE   5   2.056   7.012   8.188
   34   2HD1  ILE   5          3HD1      ILE   5   1.699   7.086   9.944
   35   3HD1  ILE   5          1HD1      ILE   5   2.152   8.556   9.080
   36    H    ALA   6           H        ALA   6   7.364   4.322  11.250
   37    HA   ALA   6           HA       ALA   6   7.742   2.013   9.304
   38   1HB   ALA   6          2HB       ALA   6   9.706   3.009  10.619
   39   2HB   ALA   6          3HB       ALA   6   8.970   2.464  12.153
   40   3HB   ALA   6          1HB       ALA   6   9.531   1.276  10.948
   41    H    GLU   7           H        GLU   7   5.363   2.532  11.024
   42    HA   GLU   7           HA       GLU   7   4.848  -0.084  12.496
   43   1HB   GLU   7          1HB       GLU   7   3.488   2.661  12.608
   44   2HB   GLU   7          2HB       GLU   7   3.036   1.320  13.631
   45   1HG   GLU   7          1HG       GLU   7   5.279   1.320  14.740
   46   2HG   GLU   7          2HG       GLU   7   5.806   2.663  13.729
   47    HE1  GLU   7           HE2      GLU   7   3.866   5.098  15.291
   48    H    ASP   8           H        ASP   8   3.047  -0.964  12.810
   49    HA   ASP   8           HA       ASP   8   0.981  -1.038  10.539
   50   1HB   ASP   8          1HB       ASP   8   1.250  -3.264  12.553
   51   2HB   ASP   8          2HB       ASP   8   0.335  -3.242  11.070
   52    HD2  ASP   8           HD2      ASP   8   2.917  -4.427  12.342
   53    H    TYR   9           H        TYR   9  -0.617  -0.276  11.238
   54    HA   TYR   9           HA       TYR   9  -2.209   1.234  12.353
   55   1HB   TYR   9          1HB       TYR   9  -1.641  -0.619  14.798
   56   2HB   TYR   9          2HB       TYR   9  -2.964   0.504  14.661
   57    HD1  TYR   9           HD1      TYR   9  -4.660   0.230  12.652
   58    HD2  TYR   9           HD2      TYR   9  -1.893  -2.860  13.798
   59    HE1  TYR   9           HE1      TYR   9  -5.885  -1.392  11.271
   60    HE2  TYR   9           HE2      TYR   9  -3.127  -4.469  12.416
   61    HH   TYR   9           HH       TYR   9  -5.987  -3.478  10.532
   62    H    GLY  10           H        GLY  10   0.442   2.097  12.128
   63   1HA   GLY  10          1HA       GLY  10   1.012   3.954  14.477
   64   2HA   GLY  10          2HA       GLY  10   1.884   3.998  13.047
   65    H    LYS  11           H        LYS  11   0.715   5.946  14.286
   66    HA   LYS  11           HA       LYS  11  -1.828   6.854  12.928
   67   1HB   LYS  11          1HB       LYS  11  -1.406   9.180  13.950
   68   2HB   LYS  11          2HB       LYS  11  -1.745   7.825  14.951
   69   1HG   LYS  11          1HG       LYS  11   0.701   7.700  15.648
   70   2HG   LYS  11          2HG       LYS  11   1.096   9.019  14.558
   71   1HD   LYS  11          1HD       LYS  11  -0.846   9.217  16.951
   72   2HD   LYS  11          2HD       LYS  11   0.851   9.627  17.038
   73   1HE   LYS  11          1HE       LYS  11  -1.203  11.096  15.243
   74   2HE   LYS  11          2HE       LYS  11  -0.677  11.626  16.835
   75   1HZ   LYS  11          1HZ       LYS  11   1.571  11.833  16.013
   76   2HZ   LYS  11          2HZ       LYS  11   0.539  12.760  15.149
   77    H    CYS  12           H        CYS  12  -2.018   7.686  11.271
   78    HA   CYS  12           HA       CYS  12   0.121   9.075   9.533
   79   1HB   CYS  12          1HB       CYS  12  -0.546   7.675   7.547
   80   2HB   CYS  12          2HB       CYS  12  -0.046   6.615   8.846
   81    H    THR  13           H        THR  13  -0.939   9.772   7.454
   82    HA   THR  13           HA       THR  13  -3.899  10.492   7.692
   83    HB   THR  13           HB       THR  13  -3.886  12.750   7.682
   84    HG1  THR  13           HG1      THR  13  -2.344  14.057   6.653
   85   1HG2  THR  13          2HG2      THR  13  -2.268  12.478   9.681
   86   2HG2  THR  13          3HG2      THR  13  -0.886  12.648   8.561
   87   3HG2  THR  13          1HG2      THR  13  -1.991  14.010   8.819
   88    H    TRP  14           H        TRP  14  -4.815  10.921   5.809
   89    HA   TRP  14           HA       TRP  14  -3.499   9.910   3.221
   90   1HB   TRP  14          1HB       TRP  14  -6.418  10.717   3.830
   91   2HB   TRP  14          2HB       TRP  14  -5.819  10.335   2.232
   92    HD1  TRP  14           HD1      TRP  14  -4.311   7.874   4.818
   93    HE1  TRP  14           HE1      TRP  14  -5.467   5.526   4.689
   94    HE3  TRP  14           HE3      TRP  14  -8.230   9.321   1.866
   95    HZ2  TRP  14           HZ2      TRP  14  -7.837   4.577   3.422
   96    HZ3  TRP  14           HZ3      TRP  14  -9.930   7.635   1.248
   97    HH2  TRP  14           HH2      TRP  14  -9.736   5.302   2.012
   98    H    GLY  15           H        GLY  15  -2.105  11.397   2.747
   99   1HA   GLY  15          1HA       GLY  15  -1.462  13.530   1.554
  100   2HA   GLY  15          2HA       GLY  15  -2.821  14.361   2.311
  101    H    GLY  16           H        GLY  16  -0.027  12.399   3.205
  102   1HA   GLY  16          1HA       GLY  16   1.114  14.140   5.446
  103   2HA   GLY  16          2HA       GLY  16   0.098  12.836   5.962
  104    H    THR  17           H        THR  17   1.941  12.173   6.918
  105    HA   THR  17           HA       THR  17   4.013  10.647   5.299
  106    HB   THR  17           HB       THR  17   3.630   9.769   8.220
  107    HG1  THR  17           HG1      THR  17   4.905  12.176   7.339
  108   1HG2  THR  17          3HG2      THR  17   5.420   8.720   6.787
  109   2HG2  THR  17          1HG2      THR  17   6.173  10.294   6.517
  110   3HG2  THR  17          2HG2      THR  17   6.098   9.594   8.150
  111    H    LYS  18           H        LYS  18   3.935   8.648   4.866
  112    HA   LYS  18           HA       LYS  18   1.592   6.723   5.475
  113   1HB   LYS  18          1HB       LYS  18   3.344   6.264   3.072
  114   2HB   LYS  18          2HB       LYS  18   1.792   5.636   3.431
  115   1HG   LYS  18          1HG       LYS  18   2.279   8.521   2.496
  116   2HG   LYS  18          2HG       LYS  18   1.757   7.196   1.485
  117   1HD   LYS  18          1HD       LYS  18   0.130   8.324   3.859
  118   2HD   LYS  18          2HD       LYS  18  -0.072   8.784   2.174
  119   1HE   LYS  18          1HE       LYS  18  -0.648   6.346   1.594
  120   2HE   LYS  18          2HE       LYS  18  -0.559   5.947   3.316
  121   1HZ   LYS  18          1HZ       LYS  18  -2.377   7.962   2.120
  122   2HZ   LYS  18          2HZ       LYS  18  -2.292   7.610   3.714
  123    H    CYS  19           H        CYS  19   2.579   4.573   5.001
  124    HA   CYS  19           HA       CYS  19   4.598   4.323   7.228
  125   1HB   CYS  19          1HB       CYS  19   2.759   2.263   6.007
  126   2HB   CYS  19          2HB       CYS  19   4.249   1.646   6.743
  127    H    CYS  20           H        CYS  20   6.348   3.460   7.191
  128    HA   CYS  20           HA       CYS  20   8.145   4.615   5.717
  129   1HB   CYS  20          1HB       CYS  20   8.391   3.479   7.988
  130   2HB   CYS  20          2HB       CYS  20   8.922   1.995   7.193
  131    H    ARG  21           H        ARG  21   7.402   1.202   5.330
  132    HA   ARG  21           HA       ARG  21   9.515   0.693   3.181
  133   1HB   ARG  21          1HB       ARG  21   7.547  -1.255   4.602
  134   2HB   ARG  21          2HB       ARG  21   8.810  -1.782   3.512
  135   1HG   ARG  21          1HG       ARG  21  10.599  -1.216   5.052
  136   2HG   ARG  21          2HG       ARG  21   9.518  -0.315   6.114
  137   1HD   ARG  21          1HD       ARG  21   8.192  -2.472   6.572
  138   2HD   ARG  21          2HD       ARG  21   9.375  -3.358   5.620
  139   1HH1  ARG  21          2HH2      ARG  21   8.193  -1.348   8.385
  140   2HH1  ARG  21          1HH2      ARG  21   8.915  -1.264  10.070
  141   1HH2  ARG  21          1HH1      ARG  21  11.783  -2.941   9.152
  142   2HH2  ARG  21          2HH1      ARG  21  10.820  -2.108  10.473
  143    H    GLY  22           H        GLY  22   7.234   2.131   2.802
  144   1HA   GLY  22          1HA       GLY  22   5.759   2.784   0.871
  145   2HA   GLY  22          2HA       GLY  22   6.330   1.382   0.007
  146    H    ARG  23           H        ARG  23   4.696   1.899   2.984
  147    HA   ARG  23           HA       ARG  23   2.680  -0.316   2.384
  148   1HB   ARG  23          1HB       ARG  23   3.957   0.756   4.912
  149   2HB   ARG  23          2HB       ARG  23   2.520  -0.218   5.069
  150   1HG   ARG  23          1HG       ARG  23   5.194  -1.082   3.794
  151   2HG   ARG  23          2HG       ARG  23   4.748  -1.297   5.466
  152   1HD   ARG  23          1HD       ARG  23   4.417  -3.437   4.432
  153   2HD   ARG  23          2HD       ARG  23   2.834  -2.812   4.849
  154   1HH1  ARG  23          2HH2      ARG  23   5.704  -2.769   2.441
  155   2HH1  ARG  23          1HH2      ARG  23   5.595  -3.032   0.628
  156   1HH2  ARG  23          1HH1      ARG  23   2.151  -3.214   0.651
  157   2HH2  ARG  23          2HH1      ARG  23   3.706  -3.269  -0.320
  158    HA   PRO  24           HA       PRO  24  -0.466   2.984   2.465
  159   1HB   PRO  24          1HB       PRO  24  -2.734   1.476   1.974
  160   2HB   PRO  24          2HB       PRO  24  -1.436   1.631   0.781
  161   1HG   PRO  24          1HG       PRO  24  -1.868  -0.663   2.769
  162   2HG   PRO  24          2HG       PRO  24  -1.618  -0.782   1.010
  163   1HD   PRO  24          1HD       PRO  24   0.463  -1.077   2.821
  164   2HD   PRO  24          2HD       PRO  24   0.724  -0.343   1.209
  165    H    CYS  25           H        CYS  25  -2.594   3.465   3.420
  166    HA   CYS  25           HA       CYS  25  -2.745   2.644   6.376
  167   1HB   CYS  25          1HB       CYS  25  -2.477   5.351   5.157
  168   2HB   CYS  25          2HB       CYS  25  -3.908   5.225   6.214
  169    H    ARG  26           H        ARG  26  -4.673   2.583   7.276
  170    HA   ARG  26           HA       ARG  26  -7.225   2.598   5.631
  171   1HB   ARG  26          1HB       ARG  26  -6.480   0.176   6.057
  172   2HB   ARG  26          2HB       ARG  26  -6.588   0.469   7.784
  173   1HG   ARG  26          1HG       ARG  26  -9.083   1.073   7.422
  174   2HG   ARG  26          2HG       ARG  26  -8.908   0.603   5.738
  175   1HD   ARG  26          1HD       ARG  26  -8.500  -1.210   8.211
  176   2HD   ARG  26          2HD       ARG  26  -9.913  -1.192   7.176
  177   1HH1  ARG  26          2HH2      ARG  26  -7.331  -2.653   8.543
  178   2HH1  ARG  26          1HH2      ARG  26  -6.332  -4.070   7.942
  179   1HH2  ARG  26          1HH1      ARG  26  -7.288  -3.649   4.663
  180   2HH2  ARG  26          2HH1      ARG  26  -6.312  -4.594   5.896
  181    H    CYS  27           H        CYS  27  -8.391   4.229   6.580
  182    HA   CYS  27           HA       CYS  27  -7.241   5.488   8.892
  183   1HB   CYS  27          1HB       CYS  27  -9.975   6.193   7.677
  184   2HB   CYS  27          2HB       CYS  27  -9.042   7.223   8.703
  185    H    SER  28           H        SER  28  -8.590   6.311  10.728
  186    HA   SER  28           HA       SER  28  -9.562   4.121  12.475
  187   1HB   SER  28          1HB       SER  28  -8.179   6.355  12.977
  188   2HB   SER  28          2HB       SER  28  -9.773   7.144  13.030
  189    HG   SER  28           HG       SER  28  -8.938   4.882  14.519
  190    H    MET  29           H        MET  29 -11.328   5.271  13.939
  191    HA   MET  29           HA       MET  29 -13.795   3.969  12.894
  192   1HB   MET  29          1HB       MET  29 -14.701   4.406  15.136
  193   2HB   MET  29          2HB       MET  29 -13.035   3.870  15.243
  194   1HG   MET  29          1HG       MET  29 -12.315   6.262  15.754
  195   2HG   MET  29          2HG       MET  29 -14.039   6.691  15.837
  196   1HE   MET  29          3HE       MET  29 -13.620   7.525  18.367
  197   2HE   MET  29          2HE       MET  29 -12.926   6.477  19.640
  198   3HE   MET  29          1HE       MET  29 -11.905   7.012  18.272
  199    H    ILE  30           H        ILE  30 -13.061   7.208  13.655
  200    HA   ILE  30           HA       ILE  30 -15.720   8.401  12.719
  201    HB   ILE  30           HB       ILE  30 -14.486  10.718  12.927
  202   1HG1  ILE  30          1HG1      ILE  30 -12.270   9.102  14.362
  203   2HG1  ILE  30          2HG1      ILE  30 -12.093   9.759  12.749
  204   1HG2  ILE  30          3HG2      ILE  30 -15.997   9.669  14.712
  205   2HG2  ILE  30          1HG2      ILE  30 -14.575   8.903  15.460
  206   3HG2  ILE  30          2HG2      ILE  30 -14.729  10.673  15.421
  207   1HD1  ILE  30          3HD1      ILE  30 -12.470  12.107  13.628
  208   2HD1  ILE  30          1HD1      ILE  30 -12.515  11.444  15.284
  209   3HD1  ILE  30          2HD1      ILE  30 -11.039  11.296  14.306
  210    H    GLY  31           H        GLY  31 -12.424   8.308  11.388
  211   1HA   GLY  31          1HA       GLY  31 -12.507   7.790   8.736
  212   2HA   GLY  31          2HA       GLY  31 -13.494   9.238   8.639
  213    H    THR  32           H        THR  32 -12.032  10.732  10.592
  214    HA   THR  32           HA       THR  32  -9.538  11.511   8.963
  215    HB   THR  32           HB       THR  32  -9.445  13.569  10.387
  216    HG1  THR  32           HG1      THR  32 -11.334  14.082  11.582
  217   1HG2  THR  32          2HG2      THR  32 -10.657  13.678   8.158
  218   2HG2  THR  32          3HG2      THR  32 -12.192  13.252   8.960
  219   3HG2  THR  32          1HG2      THR  32 -11.380  14.787   9.344
  220    H    ASN  33           H        ASN  33  -7.626  11.795  10.032
  221    HA   ASN  33           HA       ASN  33  -5.764  11.293  11.424
  222   1HB   ASN  33          1HB       ASN  33  -7.847  10.633  13.651
  223   2HB   ASN  33          2HB       ASN  33  -6.134  10.525  13.850
  224   1HD2  ASN  33          1HD2      ASN  33  -5.706  14.097  14.233
  225   2HD2  ASN  33          2HD2      ASN  33  -4.883  12.489  13.914
  226    H    CYS  34           H        CYS  34  -6.000   9.776   9.636
  227    HA   CYS  34           HA       CYS  34  -6.892   7.050   9.908
  228   1HB   CYS  34          1HB       CYS  34  -4.577   8.008   8.132
  229   2HB   CYS  34          2HB       CYS  34  -5.512   6.550   7.873
  230    H    GLU  35           H        GLU  35  -5.473   5.053   9.771
  231    HA   GLU  35           HA       GLU  35  -2.686   5.347  11.012
  232   1HB   GLU  35          1HB       GLU  35  -3.523   2.995  12.389
  233   2HB   GLU  35          2HB       GLU  35  -3.081   4.526  13.003
  234   1HG   GLU  35          1HG       GLU  35  -4.969   4.156  14.179
  235   2HG   GLU  35          2HG       GLU  35  -5.559   5.256  12.957
  236    HE2  GLU  35           HE2      GLU  35  -6.968   1.513  13.342
  237    H    CYS  36           H        CYS  36  -1.440   3.361  10.932
  238    HA   CYS  36           HA       CYS  36  -1.361   2.523   8.076
  239   1HB   CYS  36          1HB       CYS  36   0.527   2.193  10.533
  240   2HB   CYS  36          2HB       CYS  36   0.838   1.188   9.220
  241    H    THR  37           H        THR  37  -1.113   0.327   7.321
  242    HA   THR  37           HA       THR  37  -2.485  -1.818   9.039
  243    HB   THR  37           HB       THR  37  -4.236  -0.966   7.714
  244    HG1  THR  37           HG1      THR  37  -3.198  -3.292   6.481
  245   1HG2  THR  37          3HG2      THR  37  -2.529  -1.425   5.128
  246   2HG2  THR  37          1HG2      THR  37  -4.263  -1.021   5.145
  247   3HG2  THR  37          2HG2      THR  37  -3.086   0.156   5.738
  248    HA   PRO  38           HA       PRO  38   1.012  -4.298   7.422
  249   1HB   PRO  38          1HB       PRO  38   0.263  -6.786   8.436
  250   2HB   PRO  38          2HB       PRO  38   0.900  -5.479   9.429
  251   1HG   PRO  38          1HG       PRO  38  -1.996  -6.324   9.083
  252   2HG   PRO  38          2HG       PRO  38  -1.165  -5.823  10.574
  253   1HD   PRO  38          1HD       PRO  38  -2.804  -4.129   9.031
  254   2HD   PRO  38          2HD       PRO  38  -1.565  -3.499  10.081
  255    H    ARG  39           H        ARG  39   1.304  -4.890   5.416
  256    HA   ARG  39           HA       ARG  39  -0.793  -6.606   3.931
  257   1HB   ARG  39          1HB       ARG  39   0.970  -4.389   2.707
  258   2HB   ARG  39          2HB       ARG  39  -0.094  -5.455   1.821
  259   1HG   ARG  39          1HG       ARG  39  -0.961  -3.312   3.856
  260   2HG   ARG  39          2HG       ARG  39  -1.006  -3.178   2.106
  261   1HD   ARG  39          1HD       ARG  39  -2.717  -5.062   1.985
  262   2HD   ARG  39          2HD       ARG  39  -2.670  -5.202   3.735
  263   1HH1  ARG  39          2HH2      ARG  39  -3.141  -3.593   0.570
  264   2HH1  ARG  39          1HH2      ARG  39  -4.342  -2.277   0.128
  265   1HH2  ARG  39          1HH1      ARG  39  -5.252  -1.694   3.396
  266   2HH2  ARG  39          2HH1      ARG  39  -5.454  -1.277   1.621
  267    H    LEU  40           H        LEU  40   2.410  -5.733   2.707
  268    HA   LEU  40           HA       LEU  40   3.610  -8.360   3.715
  269   1HB   LEU  40          1HB       LEU  40   3.694  -7.536   0.724
  270   2HB   LEU  40          2HB       LEU  40   4.732  -8.709   1.486
  271    HG   LEU  40           HG       LEU  40   2.423  -9.907   2.213
  272   1HD1  LEU  40          2HD1      LEU  40   0.857  -8.186   1.212
  273   2HD1  LEU  40          3HD1      LEU  40   1.584  -8.441  -0.387
  274   3HD1  LEU  40          1HD1      LEU  40   0.680  -9.751   0.412
  275   1HD2  LEU  40          2HD2      LEU  40   4.215 -10.962   0.838
  276   2HD2  LEU  40          3HD2      LEU  40   2.612 -11.357   0.193
  277   3HD2  LEU  40          1HD2      LEU  40   3.621 -10.134  -0.622
  278    H    ILE  41           H        ILE  41   5.037  -7.345   5.019
  279    HA   ILE  41           HA       ILE  41   6.324  -4.741   4.393
  280    HB   ILE  41           HB       ILE  41   7.748  -5.217   6.536
  281   1HG1  ILE  41          1HG1      ILE  41   5.844  -7.612   6.987
  282   2HG1  ILE  41          2HG1      ILE  41   7.480  -7.814   6.397
  283   1HG2  ILE  41          2HG2      ILE  41   5.596  -3.875   6.515
  284   2HG2  ILE  41          3HG2      ILE  41   4.639  -5.357   6.758
  285   3HG2  ILE  41          1HG2      ILE  41   5.748  -4.778   8.023
  286   1HD1  ILE  41          3HD1      ILE  41   8.423  -6.720   8.463
  287   2HD1  ILE  41          1HD1      ILE  41   6.770  -6.567   9.120
  288   3HD1  ILE  41          2HD1      ILE  41   7.462  -8.175   8.816
  289    H    MET  42           H        MET  42   8.172  -4.319   3.506
  290    HA   MET  42           HA       MET  42   9.715  -6.513   2.102
  291   1HB   MET  42          1HB       MET  42   9.765  -3.426   1.852
  292   2HB   MET  42          2HB       MET  42  10.760  -4.508   0.894
  293   1HG   MET  42          1HG       MET  42   8.764  -5.529  -0.187
  294   2HG   MET  42          2HG       MET  42   7.680  -4.610   0.869
  295   1HE   MET  42          2HE       MET  42  10.876  -3.912  -1.525
  296   2HE   MET  42          1HE       MET  42   9.545  -4.602  -2.507
  297   3HE   MET  42          3HE       MET  42  10.040  -2.898  -2.738
  298    H    GLU  43           H        GLU  43  10.845  -3.537   3.687
  299    HA   GLU  43           HA       GLU  43  12.531  -3.026   5.251
  300   1HB   GLU  43          1HB       GLU  43  11.582  -5.158   6.396
  301   2HB   GLU  43          2HB       GLU  43  12.958  -6.068   5.806
  302   1HG   GLU  43          1HG       GLU  43  12.987  -3.593   7.673
  303   2HG   GLU  43          2HG       GLU  43  13.058  -5.256   8.210
  304    HE1  GLU  43           HE2      GLU  43  16.396  -5.782   7.237
  305    H    GLY  44           H        GLY  44  14.425  -2.532   4.934
  306   1HA   GLY  44          1HA       GLY  44  16.521  -4.095   3.359
  307   2HA   GLY  44          2HA       GLY  44  16.084  -2.536   2.655
  308    H    LEU  45           H        LEU  45  16.471  -0.641   3.914
  309    HA   LEU  45           HA       LEU  45  18.032  -0.951   6.542
  310   1HB   LEU  45          1HB       LEU  45  19.362   0.141   4.576
  311   2HB   LEU  45          2HB       LEU  45  18.264   1.488   4.660
  312    HG   LEU  45           HG       LEU  45  20.379   1.936   5.754
  313   1HD1  LEU  45          1HD1      LEU  45  18.384   3.075   6.768
  314   2HD1  LEU  45          2HD1      LEU  45  18.287   1.797   8.006
  315   3HD1  LEU  45          3HD1      LEU  45  19.713   2.855   7.925
  316   1HD2  LEU  45          3HD2      LEU  45  21.021  -0.401   6.426
  317   2HD2  LEU  45          1HD2      LEU  45  21.282   0.783   7.722
  318   3HD2  LEU  45          2HD2      LEU  45  19.886  -0.314   7.797
  319    H    SER  46           H        SER  46  16.094  -1.160   7.561
  320    HA   SER  46           HA       SER  46  14.579   1.407   8.137
  321   1HB   SER  46          1HB       SER  46  13.242   0.260   6.313
  322   2HB   SER  46          2HB       SER  46  13.117  -1.203   7.291
  323    HG   SER  46           HG       SER  46  11.332   0.189   7.480
  324    H    PHE  47           H        PHE  47  14.014  -2.007   8.960
  325    HA   PHE  47           HA       PHE  47  14.268  -3.317  10.944
  326   1HB   PHE  47          1HB       PHE  47  16.507  -1.232  11.544
  327   2HB   PHE  47          2HB       PHE  47  16.257  -2.693  12.447
  328    HD1  PHE  47           HD2      PHE  47  16.441  -4.992  11.256
  329    HD2  PHE  47           HD1      PHE  47  17.820  -1.331   9.459
  330    HE1  PHE  47           HE2      PHE  47  17.859  -6.274   9.708
  331    HE2  PHE  47           HE1      PHE  47  19.236  -2.635   7.923
  332    HZ   PHE  47           HZ       PHE  47  19.255  -5.100   8.039
  333    H    ALA  48           H        ALA  48  12.321  -2.968  11.859
  334    HA   ALA  48           HA       ALA  48  12.220  -1.304  14.397
  335   1HB   ALA  48          3HB       ALA  48  10.128  -0.933  12.122
  336   2HB   ALA  48          1HB       ALA  48  10.031  -0.228  13.753
  337   3HB   ALA  48          2HB       ALA  48  11.323   0.277  12.649
  338    HXT  ALA  48           HO       ALA  48   9.491  -4.199  13.422
   
  No H/Q in entry =         338
  Start of MODEL           5
 Raw file had  348 H/Q atoms
  Start of MODEL    5
    1   1H    GLU   1          2H        GLU   1  16.015  12.478   9.983
    2   2H    GLU   1          3H        GLU   1  14.607  13.007  10.668
    3   3H    GLU   1          1H        GLU   1  16.058  13.580  11.213
    4    HA   GLU   1           HA       GLU   1  16.698  11.377  12.035
    5   1HB   GLU   1          1HB       GLU   1  15.466  13.105  13.479
    6   2HB   GLU   1          2HB       GLU   1  13.928  12.381  13.030
    7   1HG   GLU   1          1HG       GLU   1  14.743  10.173  14.112
    8   2HG   GLU   1          2HG       GLU   1  16.218  11.002  14.594
    9    HE1  GLU   1           HE2      GLU   1  12.690  11.637  16.477
   10    H    ASP   2           H        ASP   2  13.170  11.213  11.522
   11    HA   ASP   2           HA       ASP   2  13.484   8.362  10.365
   12   1HB   ASP   2          1HB       ASP   2  11.153   9.578  12.002
   13   2HB   ASP   2          2HB       ASP   2  11.085   8.030  11.189
   14    HD2  ASP   2           HD2      ASP   2  11.987   9.656  13.845
   15    H    ASN   3           H        ASN   3  10.974  10.887  10.292
   16    HA   ASN   3           HA       ASN   3   9.671  11.884   8.577
   17   1HB   ASN   3          1HB       ASN   3  11.914  10.904   6.701
   18   2HB   ASN   3          2HB       ASN   3  10.722  12.081   6.214
   19   1HD2  ASN   3          1HD2      ASN   3  12.368  14.886   7.800
   20   2HD2  ASN   3          2HD2      ASN   3  10.763  14.230   7.200
   21    H    CYS   4           H        CYS   4   9.753   9.043   9.034
   22    HA   CYS   4           HA       CYS   4   7.554   8.187   7.009
   23   1HB   CYS   4          1HB       CYS   4   8.365   6.087   6.892
   24   2HB   CYS   4          2HB       CYS   4   9.454   7.046   6.039
   25    H    ILE   5           H        ILE   5   6.542   6.099   7.653
   26    HA   ILE   5           HA       ILE   5   5.961   6.115  10.737
   27    HB   ILE   5           HB       ILE   5   3.812   5.295   8.662
   28   1HG1  ILE   5          1HG1      ILE   5   4.111   7.810  10.312
   29   2HG1  ILE   5          2HG1      ILE   5   4.340   7.701   8.577
   30   1HG2  ILE   5          2HG2      ILE   5   3.617   4.041  10.851
   31   2HG2  ILE   5          3HG2      ILE   5   3.554   5.583  11.740
   32   3HG2  ILE   5          1HG2      ILE   5   2.288   5.119  10.595
   33   1HD1  ILE   5          2HD1      ILE   5   1.993   7.030   8.246
   34   2HD1  ILE   5          3HD1      ILE   5   1.731   7.179  10.014
   35   3HD1  ILE   5          1HD1      ILE   5   2.123   8.613   9.066
   36    H    ALA   6           H        ALA   6   7.355   4.478  11.276
   37    HA   ALA   6           HA       ALA   6   7.831   2.174   9.368
   38   1HB   ALA   6          2HB       ALA   6   9.732   3.186  10.766
   39   2HB   ALA   6          3HB       ALA   6   8.925   2.666  12.272
   40   3HB   ALA   6          1HB       ALA   6   9.559   1.460  11.126
   41    H    GLU   7           H        GLU   7   5.389   2.643  11.051
   42    HA   GLU   7           HA       GLU   7   4.868  -0.024  12.433
   43   1HB   GLU   7          2HB       GLU   7   3.593   2.752  12.635
   44   2HB   GLU   7          1HB       GLU   7   2.974   1.371  13.514
   45   1HG   GLU   7          1HG       GLU   7   5.135   1.123  14.764
   46   2HG   GLU   7          2HG       GLU   7   5.804   2.509  13.904
   47    HE1  GLU   7           HE2      GLU   7   3.064   2.972  16.848
   48    H    ASP   8           H        ASP   8   3.131  -0.998  12.638
   49    HA   ASP   8           HA       ASP   8   1.110  -0.998  10.334
   50   1HB   ASP   8          1HB       ASP   8   1.420  -3.285  12.283
   51   2HB   ASP   8          2HB       ASP   8   0.456  -3.235  10.832
   52    HD1  ASP   8           HD2      ASP   8   1.745  -2.417   8.948
   53    H    TYR   9           H        TYR   9  -0.551  -0.327  11.026
   54    HA   TYR   9           HA       TYR   9  -2.213   1.104  12.172
   55   1HB   TYR   9          1HB       TYR   9  -1.617  -0.801  14.569
   56   2HB   TYR   9          2HB       TYR   9  -2.988   0.263  14.423
   57    HD1  TYR   9           HD1      TYR   9  -4.635  -0.057  12.384
   58    HD2  TYR   9           HD2      TYR   9  -1.709  -3.016  13.484
   59    HE1  TYR   9           HE1      TYR   9  -5.706  -1.690  10.888
   60    HE2  TYR   9           HE2      TYR   9  -2.791  -4.633  11.990
   61    HH   TYR   9           HH       TYR   9  -4.412  -4.988  10.518
   62    H    GLY  10           H        GLY  10   0.477   2.004  12.053
   63   1HA   GLY  10          1HA       GLY  10   1.053   3.782  14.444
   64   2HA   GLY  10          2HA       GLY  10   1.854   3.903  12.980
   65    H    LYS  11           H        LYS  11   0.734   5.801  14.316
   66    HA   LYS  11           HA       LYS  11  -1.863   6.688  13.036
   67   1HB   LYS  11          1HB       LYS  11  -0.087   8.636  14.540
   68   2HB   LYS  11          2HB       LYS  11  -1.762   8.831  14.177
   69   1HG   LYS  11          1HG       LYS  11  -0.685   6.762  16.182
   70   2HG   LYS  11          2HG       LYS  11  -1.445   8.299  16.567
   71   1HD   LYS  11          1HD       LYS  11  -3.602   7.507  15.426
   72   2HD   LYS  11          2HD       LYS  11  -2.826   5.971  15.085
   73   1HE   LYS  11          1HE       LYS  11  -4.186   5.587  17.006
   74   2HE   LYS  11          2HE       LYS  11  -2.522   5.558  17.584
   75   1HZ   LYS  11          1HZ       LYS  11  -3.980   6.827  19.021
   76   2HZ   LYS  11          2HZ       LYS  11  -4.426   7.831  17.811
   77    H    CYS  12           H        CYS  12  -2.051   7.683  11.461
   78    HA   CYS  12           HA       CYS  12   0.105   9.038   9.710
   79   1HB   CYS  12          1HB       CYS  12  -0.412   7.584   7.784
   80   2HB   CYS  12          2HB       CYS  12  -0.067   6.529   9.137
   81    H    THR  13           H        THR  13  -0.977   9.584   7.574
   82    HA   THR  13           HA       THR  13  -3.806  10.734   7.934
   83    HB   THR  13           HB       THR  13  -2.454  12.852   6.561
   84    HG1  THR  13           HG1      THR  13  -0.965  12.085   8.885
   85   1HG2  THR  13          2HG2      THR  13  -4.202  13.221   8.262
   86   2HG2  THR  13          3HG2      THR  13  -3.044  12.781   9.572
   87   3HG2  THR  13          1HG2      THR  13  -2.766  14.229   8.563
   88    H    TRP  14           H        TRP  14  -4.781  11.303   6.149
   89    HA   TRP  14           HA       TRP  14  -3.948  10.047   3.452
   90   1HB   TRP  14          1HB       TRP  14  -6.737  10.882   4.472
   91   2HB   TRP  14          2HB       TRP  14  -6.373  10.629   2.779
   92    HD1  TRP  14           HD1      TRP  14  -4.746   8.038   5.262
   93    HE1  TRP  14           HE1      TRP  14  -5.864   5.683   4.992
   94    HE3  TRP  14           HE3      TRP  14  -8.556   9.551   2.199
   95    HZ2  TRP  14           HZ2      TRP  14  -8.152   4.751   3.556
   96    HZ3  TRP  14           HZ3      TRP  14 -10.182   7.865   1.413
   97    HH2  TRP  14           HH2      TRP  14  -9.983   5.504   2.082
   98    H    GLY  15           H        GLY  15  -2.608  11.482   2.778
   99   1HA   GLY  15          1HA       GLY  15  -1.889  13.626   1.697
  100   2HA   GLY  15          2HA       GLY  15  -3.223  14.487   2.501
  101    H    GLY  16           H        GLY  16  -0.369  12.515   3.140
  102   1HA   GLY  16          1HA       GLY  16   0.417  13.871   5.833
  103   2HA   GLY  16          2HA       GLY  16  -0.329  12.336   5.776
  104    H    THR  17           H        THR  17   1.534  11.882   6.918
  105    HA   THR  17           HA       THR  17   3.738  10.671   5.167
  106    HB   THR  17           HB       THR  17   3.532   9.804   8.115
  107    HG1  THR  17           HG1      THR  17   4.832  11.636   8.585
  108   1HG2  THR  17          3HG2      THR  17   5.275   8.749   6.655
  109   2HG2  THR  17          1HG2      THR  17   5.973  10.324   6.270
  110   3HG2  THR  17          2HG2      THR  17   5.995   9.702   7.937
  111    H    LYS  18           H        LYS  18   3.798   8.591   4.785
  112    HA   LYS  18           HA       LYS  18   1.578   6.586   5.572
  113   1HB   LYS  18          1HB       LYS  18   3.129   6.269   2.998
  114   2HB   LYS  18          2HB       LYS  18   1.758   5.404   3.534
  115   1HG   LYS  18          1HG       LYS  18   1.516   8.348   2.686
  116   2HG   LYS  18          2HG       LYS  18   1.254   6.962   1.638
  117   1HD   LYS  18          1HD       LYS  18  -0.560   6.105   3.173
  118   2HD   LYS  18          2HD       LYS  18  -0.351   7.515   4.219
  119   1HE   LYS  18          1HE       LYS  18  -1.046   9.055   2.368
  120   2HE   LYS  18          2HE       LYS  18  -1.127   7.703   1.225
  121   1HZ   LYS  18          1HZ       LYS  18  -2.874   6.721   2.543
  122   2HZ   LYS  18          2HZ       LYS  18  -3.286   8.233   2.077
  123    H    CYS  19           H        CYS  19   2.617   4.498   4.999
  124    HA   CYS  19           HA       CYS  19   4.637   4.360   7.214
  125   1HB   CYS  19          1HB       CYS  19   2.828   2.248   6.040
  126   2HB   CYS  19          2HB       CYS  19   4.300   1.662   6.844
  127    H    CYS  20           H        CYS  20   6.416   3.579   7.234
  128    HA   CYS  20           HA       CYS  20   8.194   4.693   5.715
  129   1HB   CYS  20          1HB       CYS  20   8.452   3.728   8.065
  130   2HB   CYS  20          2HB       CYS  20   9.057   2.221   7.379
  131    H    ARG  21           H        ARG  21   7.740   1.176   5.612
  132    HA   ARG  21           HA       ARG  21   9.724   0.793   3.307
  133   1HB   ARG  21          1HB       ARG  21   9.751  -0.599   5.610
  134   2HB   ARG  21          2HB       ARG  21   8.327  -1.427   4.993
  135   1HG   ARG  21          1HG       ARG  21   9.748  -2.223   3.005
  136   2HG   ARG  21          2HG       ARG  21  11.119  -1.329   3.660
  137   1HD   ARG  21          1HD       ARG  21  11.015  -2.760   5.782
  138   2HD   ARG  21          2HD       ARG  21   9.654  -3.646   5.096
  139   1HH1  ARG  21          2HH2      ARG  21  13.092  -2.541   5.336
  140   2HH1  ARG  21          1HH2      ARG  21  14.574  -3.408   4.689
  141   1HH2  ARG  21          1HH1      ARG  21  12.715  -5.643   2.831
  142   2HH2  ARG  21          2HH1      ARG  21  14.371  -5.054   3.357
  143    H    GLY  22           H        GLY  22   7.285   1.879   3.006
  144   1HA   GLY  22          1HA       GLY  22   5.864   2.155   0.953
  145   2HA   GLY  22          2HA       GLY  22   6.509   0.655   0.348
  146    H    ARG  23           H        ARG  23   4.709   1.639   3.070
  147    HA   ARG  23           HA       ARG  23   2.612  -0.574   2.663
  148   1HB   ARG  23          1HB       ARG  23   3.958   0.589   5.113
  149   2HB   ARG  23          2HB       ARG  23   2.376  -0.124   5.330
  150   1HG   ARG  23          1HG       ARG  23   4.942  -1.482   4.342
  151   2HG   ARG  23          2HG       ARG  23   4.225  -1.578   5.947
  152   1HD   ARG  23          1HD       ARG  23   2.129  -2.674   4.915
  153   2HD   ARG  23          2HD       ARG  23   2.952  -2.692   3.351
  154   1HH1  ARG  23          2HH2      ARG  23   2.629  -4.632   2.721
  155   2HH1  ARG  23          1HH2      ARG  23   3.210  -6.371   2.790
  156   1HH2  ARG  23          1HH1      ARG  23   4.959  -5.898   5.722
  157   2HH2  ARG  23          2HH1      ARG  23   4.446  -7.039   4.380
  158    HA   PRO  24           HA       PRO  24  -0.283   2.985   2.357
  159   1HB   PRO  24          1HB       PRO  24  -2.632   1.608   1.862
  160   2HB   PRO  24          2HB       PRO  24  -1.290   1.614   0.712
  161   1HG   PRO  24          1HG       PRO  24  -1.952  -0.545   2.786
  162   2HG   PRO  24          2HG       PRO  24  -1.643  -0.765   1.046
  163   1HD   PRO  24          1HD       PRO  24   0.338  -1.107   2.964
  164   2HD   PRO  24          2HD       PRO  24   0.717  -0.489   1.326
  165    H    CYS  25           H        CYS  25  -2.542   3.533   3.220
  166    HA   CYS  25           HA       CYS  25  -2.806   2.820   6.190
  167   1HB   CYS  25          1HB       CYS  25  -2.141   5.490   5.039
  168   2HB   CYS  25          2HB       CYS  25  -3.623   5.535   6.033
  169    H    ARG  26           H        ARG  26  -4.793   2.967   7.005
  170    HA   ARG  26           HA       ARG  26  -7.208   3.597   5.340
  171   1HB   ARG  26          1HB       ARG  26  -7.039   0.946   6.918
  172   2HB   ARG  26          2HB       ARG  26  -8.511   1.636   6.273
  173   1HG   ARG  26          1HG       ARG  26  -6.127   0.687   4.570
  174   2HG   ARG  26          2HG       ARG  26  -7.584  -0.235   4.903
  175   1HD   ARG  26          1HD       ARG  26  -8.982   1.512   3.715
  176   2HD   ARG  26          2HD       ARG  26  -7.542   2.449   3.352
  177   1HH1  ARG  26          2HH2      ARG  26  -5.722   2.188   2.386
  178   2HH1  ARG  26          1HH2      ARG  26  -4.962   1.549   0.843
  179   1HH2  ARG  26          1HH1      ARG  26  -7.440  -0.782   0.319
  180   2HH2  ARG  26          2HH1      ARG  26  -5.870  -0.017  -0.245
  181    H    CYS  27           H        CYS  27  -8.425   4.896   6.626
  182    HA   CYS  27           HA       CYS  27  -7.142   5.765   9.016
  183   1HB   CYS  27          1HB       CYS  27  -9.962   6.595   8.081
  184   2HB   CYS  27          2HB       CYS  27  -8.984   7.496   9.195
  185    H    SER  28           H        SER  28  -8.276   6.291  11.055
  186    HA   SER  28           HA       SER  28  -9.068   3.852  12.536
  187   1HB   SER  28          1HB       SER  28  -7.587   6.006  13.192
  188   2HB   SER  28          2HB       SER  28  -9.146   6.752  13.582
  189    HG   SER  28           HG       SER  28  -8.171   5.707  15.319
  190    H    MET  29           H        MET  29 -10.608   4.773  14.364
  191    HA   MET  29           HA       MET  29 -13.344   3.909  13.473
  192   1HB   MET  29          1HB       MET  29 -12.184   4.894  16.187
  193   2HB   MET  29          2HB       MET  29 -13.881   4.581  15.985
  194   1HG   MET  29          1HG       MET  29 -12.937   2.601  16.964
  195   2HG   MET  29          2HG       MET  29 -13.379   2.172  15.303
  196   1HE   MET  29          1HE       MET  29 -11.404   0.359  17.005
  197   2HE   MET  29          3HE       MET  29 -11.793   0.031  15.286
  198   3HE   MET  29          2HE       MET  29 -10.089   0.057  15.829
  199    H    ILE  30           H        ILE  30 -11.931   7.021  14.234
  200    HA   ILE  30           HA       ILE  30 -14.560   8.540  14.286
  201    HB   ILE  30           HB       ILE  30 -11.635   9.651  14.228
  202   1HG1  ILE  30          1HG1      ILE  30 -12.462  10.321  16.733
  203   2HG1  ILE  30          2HG1      ILE  30 -13.517   8.936  16.568
  204   1HG2  ILE  30          1HG2      ILE  30 -14.331  11.074  14.830
  205   2HG2  ILE  30          2HG2      ILE  30 -12.713  11.808  14.967
  206   3HG2  ILE  30          3HG2      ILE  30 -13.321  11.326  13.385
  207   1HD1  ILE  30          1HD1      ILE  30 -10.420   8.919  16.304
  208   2HD1  ILE  30          2HD1      ILE  30 -11.342   8.442  17.748
  209   3HD1  ILE  30          3HD1      ILE  30 -11.443   7.460  16.275
  210    H    GLY  31           H        GLY  31 -11.661   8.667  12.242
  211   1HA   GLY  31          1HA       GLY  31 -12.369   8.365   9.565
  212   2HA   GLY  31          2HA       GLY  31 -13.256   9.850   9.917
  213    H    THR  32           H        THR  32 -11.588  11.152  11.561
  214    HA   THR  32           HA       THR  32  -9.147  11.886   9.841
  215    HB   THR  32           HB       THR  32  -8.853  13.849  11.365
  216    HG1  THR  32           HG1      THR  32 -10.656  14.418  12.669
  217   1HG2  THR  32          2HG2      THR  32 -10.150  14.160   9.204
  218   2HG2  THR  32          3HG2      THR  32 -11.674  13.786  10.052
  219   3HG2  THR  32          1HG2      THR  32 -10.750  15.245  10.479
  220    H    ASN  33           H        ASN  33  -7.177  11.964  10.830
  221    HA   ASN  33           HA       ASN  33  -5.296  11.205  12.078
  222   1HB   ASN  33          1HB       ASN  33  -7.295  10.463  14.361
  223   2HB   ASN  33          2HB       ASN  33  -5.586  10.216  14.415
  224   1HD2  ASN  33          1HD2      ASN  33  -6.942  13.928  15.320
  225   2HD2  ASN  33          2HD2      ASN  33  -8.053  12.530  14.899
  226    H    CYS  34           H        CYS  34  -5.674   9.908  10.192
  227    HA   CYS  34           HA       CYS  34  -6.796   7.243  10.180
  228   1HB   CYS  34          1HB       CYS  34  -4.482   8.283   8.456
  229   2HB   CYS  34          2HB       CYS  34  -5.460   6.884   8.073
  230    H    GLU  35           H        GLU  35  -5.503   5.179   9.770
  231    HA   GLU  35           HA       GLU  35  -2.794   5.128  11.243
  232   1HB   GLU  35          1HB       GLU  35  -4.381   2.603  11.730
  233   2HB   GLU  35          2HB       GLU  35  -3.158   3.368  12.654
  234   1HG   GLU  35          1HG       GLU  35  -4.743   5.103  13.551
  235   2HG   GLU  35          2HG       GLU  35  -6.062   4.330  12.671
  236    HE1  GLU  35           HE2      GLU  35  -4.428   2.597  15.960
  237    H    CYS  36           H        CYS  36  -1.790   2.966  11.016
  238    HA   CYS  36           HA       CYS  36  -1.374   2.596   8.005
  239   1HB   CYS  36          1HB       CYS  36   0.483   2.245  10.474
  240   2HB   CYS  36          2HB       CYS  36   0.841   1.239   9.185
  241    H    THR  37           H        THR  37  -0.922   0.486   7.139
  242    HA   THR  37           HA       THR  37  -2.514  -1.800   8.432
  243    HB   THR  37           HB       THR  37  -3.479  -2.282   6.110
  244    HG1  THR  37           HG1      THR  37  -3.645  -0.439   4.765
  245   1HG2  THR  37          2HG2      THR  37  -4.846  -1.218   7.986
  246   2HG2  THR  37          3HG2      THR  37  -4.396   0.398   7.377
  247   3HG2  THR  37          1HG2      THR  37  -5.367  -0.708   6.371
  248    HA   PRO  38           HA       PRO  38   1.175  -4.034   6.678
  249   1HB   PRO  38          1HB       PRO  38   0.564  -6.576   7.632
  250   2HB   PRO  38          2HB       PRO  38   1.196  -5.283   8.644
  251   1HG   PRO  38          1HG       PRO  38  -1.692  -6.207   8.378
  252   2HG   PRO  38          2HG       PRO  38  -0.803  -5.786   9.860
  253   1HD   PRO  38          1HD       PRO  38  -2.543  -4.028   8.571
  254   2HD   PRO  38          2HD       PRO  38  -1.178  -3.448   9.518
  255    H    ARG  39           H        ARG  39  -1.497  -6.347   6.390
  256    HA   ARG  39           HA       ARG  39  -1.485  -6.086   3.333
  257   1HB   ARG  39          1HB       ARG  39  -1.093  -8.732   4.904
  258   2HB   ARG  39          2HB       ARG  39  -1.450  -8.633   3.186
  259   1HG   ARG  39          1HG       ARG  39   0.686  -7.320   2.806
  260   2HG   ARG  39          2HG       ARG  39   1.082  -7.503   4.516
  261   1HD   ARG  39          1HD       ARG  39   1.029 -10.034   4.242
  262   2HD   ARG  39          2HD       ARG  39   0.706  -9.847   2.525
  263   1HH1  ARG  39          2HH2      ARG  39   1.579  -8.800   0.904
  264   2HH1  ARG  39          1HH2      ARG  39   3.172  -8.547   0.029
  265   1HH2  ARG  39          1HH1      ARG  39   5.066  -9.090   2.854
  266   2HH2  ARG  39          2HH1      ARG  39   5.013  -8.700   1.061
  267    H    LEU  40           H        LEU  40  -3.007  -7.828   6.042
  268    HA   LEU  40           HA       LEU  40  -5.267  -8.257   6.690
  269   1HB   LEU  40          1HB       LEU  40  -5.974  -6.107   4.541
  270   2HB   LEU  40          2HB       LEU  40  -7.155  -7.005   5.441
  271    HG   LEU  40           HG       LEU  40  -6.295  -6.128   7.615
  272   1HD1  LEU  40          3HD1      LEU  40  -4.488  -4.330   5.870
  273   2HD1  LEU  40          1HD1      LEU  40  -4.855  -4.021   7.588
  274   3HD1  LEU  40          2HD1      LEU  40  -3.962  -5.474   7.128
  275   1HD2  LEU  40          2HD2      LEU  40  -8.253  -5.091   6.451
  276   2HD2  LEU  40          3HD2      LEU  40  -7.325  -3.866   7.336
  277   3HD2  LEU  40          1HD2      LEU  40  -7.172  -3.986   5.565
  278    H    ILE  41           H        ILE  41  -5.862  -7.794   3.209
  279    HA   ILE  41           HA       ILE  41  -6.490  -9.252   1.430
  280    HB   ILE  41           HB       ILE  41  -5.414 -11.637   3.146
  281   1HG1  ILE  41          1HG1      ILE  41  -3.532 -10.111   2.880
  282   2HG1  ILE  41          2HG1      ILE  41  -3.314 -11.485   1.838
  283   1HG2  ILE  41          2HG2      ILE  41  -5.963 -11.336   0.099
  284   2HG2  ILE  41          3HG2      ILE  41  -5.203 -12.748   0.875
  285   3HG2  ILE  41          1HG2      ILE  41  -6.884 -12.341   1.238
  286   1HD1  ILE  41          1HD1      ILE  41  -3.953 -10.063  -0.182
  287   2HD1  ILE  41          2HD1      ILE  41  -4.164  -8.660   0.901
  288   3HD1  ILE  41          3HD1      ILE  41  -2.564  -9.410   0.716
  289    H    MET  42           H        MET  42  -8.590  -8.824   1.651
  290    HA   MET  42           HA       MET  42 -10.404 -10.648   3.337
  291   1HB   MET  42          1HB       MET  42 -11.701  -8.671   4.028
  292   2HB   MET  42          2HB       MET  42 -10.061  -8.564   4.600
  293   1HG   MET  42          1HG       MET  42 -11.087  -6.968   2.157
  294   2HG   MET  42          2HG       MET  42 -11.104  -6.380   3.827
  295   1HE   MET  42          3HE       MET  42  -9.624  -4.254   3.311
  296   2HE   MET  42          2HE       MET  42  -8.078  -4.319   2.416
  297   3HE   MET  42          1HE       MET  42  -9.610  -4.715   1.579
  298    H    GLU  43           H        GLU  43 -12.474 -10.834   2.668
  299    HA   GLU  43           HA       GLU  43 -14.316 -11.166   1.246
  300   1HB   GLU  43          1HB       GLU  43 -14.079  -8.685   0.687
  301   2HB   GLU  43          2HB       GLU  43 -13.061  -9.070  -0.699
  302   1HG   GLU  43          1HG       GLU  43 -14.981 -10.334  -1.745
  303   2HG   GLU  43          2HG       GLU  43 -15.983 -10.010  -0.332
  304    HE2  GLU  43           HE2      GLU  43 -16.712  -6.741  -1.168
  305    H    GLY  44           H        GLY  44 -14.760 -12.592  -0.222
  306   1HA   GLY  44          1HA       GLY  44 -12.664 -14.422  -1.279
  307   2HA   GLY  44          2HA       GLY  44 -14.389 -14.615  -1.505
  308    H    LEU  45           H        LEU  45 -15.420 -13.169  -3.163
  309    HA   LEU  45           HA       LEU  45 -13.682 -12.878  -5.650
  310   1HB   LEU  45          1HB       LEU  45 -16.004 -13.980  -5.677
  311   2HB   LEU  45          2HB       LEU  45 -16.729 -12.440  -5.313
  312    HG   LEU  45           HG       LEU  45 -16.924 -13.111  -7.657
  313   1HD1  LEU  45          1HD1      LEU  45 -16.894 -10.644  -7.175
  314   2HD1  LEU  45          2HD1      LEU  45 -15.163 -10.592  -7.591
  315   3HD1  LEU  45          3HD1      LEU  45 -16.361 -11.043  -8.821
  316   1HD2  LEU  45          3HD2      LEU  45 -14.798 -14.410  -7.938
  317   2HD2  LEU  45          1HD2      LEU  45 -15.066 -13.259  -9.263
  318   3HD2  LEU  45          2HD2      LEU  45 -13.871 -12.889  -7.998
  319    H    SER  46           H        SER  46 -12.490 -11.123  -5.469
  320    HA   SER  46           HA       SER  46 -13.817  -8.373  -5.049
  321   1HB   SER  46          1HB       SER  46 -11.735  -7.573  -3.948
  322   2HB   SER  46          2HB       SER  46 -12.524  -8.837  -3.016
  323    HG   SER  46           HG       SER  46 -10.309  -9.186  -4.758
  324    H    PHE  47           H        PHE  47 -14.042  -8.033  -7.177
  325    HA   PHE  47           HA       PHE  47 -11.703  -8.380  -9.114
  326   1HB   PHE  47          1HB       PHE  47 -13.977  -9.418  -9.580
  327   2HB   PHE  47          2HB       PHE  47 -14.717  -7.840  -9.595
  328    HD1  PHE  47           HD2      PHE  47 -12.240 -10.054 -11.364
  329    HD2  PHE  47           HD1      PHE  47 -14.565  -6.440 -11.628
  330    HE1  PHE  47           HE2      PHE  47 -11.710  -9.873 -13.761
  331    HE2  PHE  47           HE1      PHE  47 -14.020  -6.275 -14.019
  332    HZ   PHE  47           HZ       PHE  47 -12.594  -7.987 -15.091
  333    H    ALA  48           H        ALA  48 -14.244  -5.908  -8.756
  334    HA   ALA  48           HA       ALA  48 -14.296  -3.534  -9.058
  335   1HB   ALA  48          3HB       ALA  48 -12.619  -3.475  -7.142
  336   2HB   ALA  48          1HB       ALA  48 -11.269  -3.619  -8.293
  337   3HB   ALA  48          2HB       ALA  48 -12.316  -2.186  -8.319
  338    HXT  ALA  48           HO       ALA  48 -13.647  -3.382 -12.401
   
  No H/Q in entry =         338
  Start of MODEL           6
 Raw file had  348 H/Q atoms
  Start of MODEL    6
    1   1H    GLU   1          3H        GLU   1  12.722  15.939   7.908
    2   2H    GLU   1          1H        GLU   1  13.143  15.129   6.531
    3   3H    GLU   1          2H        GLU   1  13.590  16.707   6.731
    4    HA   GLU   1           HA       GLU   1  11.268  17.445   6.677
    5   1HB   GLU   1          1HB       GLU   1  12.733  17.297   4.586
    6   2HB   GLU   1          2HB       GLU   1  12.139  15.671   4.274
    7   1HG   GLU   1          1HG       GLU   1   9.779  16.618   4.022
    8   2HG   GLU   1          2HG       GLU   1  10.395  18.233   4.357
    9    HE1  GLU   1           HE2      GLU   1  11.824  18.721   1.242
   10    H    ASP   2           H        ASP   2  11.224  14.140   5.321
   11    HA   ASP   2           HA       ASP   2   8.482  13.669   6.580
   12   1HB   ASP   2          1HB       ASP   2   8.925  13.239   4.088
   13   2HB   ASP   2          2HB       ASP   2  10.024  11.942   4.519
   14    HD1  ASP   2           HD2      ASP   2   6.845  13.121   4.731
   15    H    ASN   3           H        ASN   3   8.285  12.548   8.357
   16    HA   ASN   3           HA       ASN   3  10.507  11.121   9.691
   17   1HB   ASN   3          1HB       ASN   3   8.516  12.511  10.749
   18   2HB   ASN   3          2HB       ASN   3   7.481  11.156  10.397
   19   1HD2  ASN   3          1HD2      ASN   3   8.495   9.511  13.442
   20   2HD2  ASN   3          2HD2      ASN   3   7.387   9.573  11.981
   21    H    CYS   4           H        CYS   4   8.000  10.232   8.047
   22    HA   CYS   4           HA       CYS   4   7.025   8.164   6.988
   23   1HB   CYS   4          1HB       CYS   4   8.056   6.220   7.016
   24   2HB   CYS   4          2HB       CYS   4   9.144   7.247   6.265
   25    H    ILE   5           H        ILE   5   6.148   6.063   7.661
   26    HA   ILE   5           HA       ILE   5   5.390   6.071  10.706
   27    HB   ILE   5           HB       ILE   5   3.475   4.609   8.759
   28   1HG1  ILE   5          1HG1      ILE   5   3.436   6.961   7.960
   29   2HG1  ILE   5          2HG1      ILE   5   2.011   6.420   8.697
   30   1HG2  ILE   5          3HG2      ILE   5   3.167   5.578  11.651
   31   2HG2  ILE   5          1HG2      ILE   5   1.913   4.856  10.629
   32   3HG2  ILE   5          2HG2      ILE   5   3.318   3.906  11.080
   33   1HD1  ILE   5          2HD1      ILE   5   3.083   7.582  10.885
   34   2HD1  ILE   5          3HD1      ILE   5   4.120   8.350   9.644
   35   3HD1  ILE   5          1HD1      ILE   5   2.327   8.538   9.582
   36    H    ALA   6           H        ALA   6   6.910   4.610  11.397
   37    HA   ALA   6           HA       ALA   6   7.814   2.376   9.570
   38   1HB   ALA   6          2HB       ALA   6   9.477   3.618  11.090
   39   2HB   ALA   6          3HB       ALA   6   8.618   3.035  12.541
   40   3HB   ALA   6          1HB       ALA   6   9.480   1.892  11.484
   41    H    GLU   7           H        GLU   7   5.221   2.567  11.228
   42    HA   GLU   7           HA       GLU   7   4.961  -0.367  12.065
   43   1HB   GLU   7          1HB       GLU   7   4.111   2.240  13.536
   44   2HB   GLU   7          2HB       GLU   7   3.330   0.749  13.927
   45   1HG   GLU   7          1HG       GLU   7   4.895   0.919  15.607
   46   2HG   GLU   7          2HG       GLU   7   5.564  -0.307  14.551
   47    HE1  GLU   7           HE2      GLU   7   7.284   3.401  14.767
   48    H    ASP   8           H        ASP   8   3.372  -1.529  11.992
   49    HA   ASP   8           HA       ASP   8   1.020  -0.919  10.197
   50   1HB   ASP   8          1HB       ASP   8   1.279  -3.304  12.042
   51   2HB   ASP   8          2HB       ASP   8   0.172  -3.096  10.708
   52    HD2  ASP   8           HD2      ASP   8   1.957  -5.109  11.134
   53    H    TYR   9           H        TYR   9  -0.704  -0.338  10.966
   54    HA   TYR   9           HA       TYR   9  -2.263   1.091  12.220
   55   1HB   TYR   9          1HB       TYR   9  -1.576  -0.926  14.503
   56   2HB   TYR   9          2HB       TYR   9  -2.940   0.158  14.487
   57    HD1  TYR   9           HD1      TYR   9  -4.706  -0.039  12.549
   58    HD2  TYR   9           HD2      TYR   9  -1.760  -3.081  13.319
   59    HE1  TYR   9           HE1      TYR   9  -5.926  -1.604  11.097
   60    HE2  TYR   9           HE2      TYR   9  -2.989  -4.632  11.867
   61    HH   TYR   9           HH       TYR   9  -5.974  -3.630  10.197
   62    H    GLY  10           H        GLY  10   0.573   1.903  12.168
   63   1HA   GLY  10          1HA       GLY  10   1.037   3.572  14.652
   64   2HA   GLY  10          2HA       GLY  10   1.975   3.705  13.258
   65    H    LYS  11           H        LYS  11   0.906   5.671  14.541
   66    HA   LYS  11           HA       LYS  11  -1.671   6.618  13.257
   67   1HB   LYS  11          1HB       LYS  11  -1.046   7.322  15.529
   68   2HB   LYS  11          2HB       LYS  11   0.126   8.495  14.890
   69   1HG   LYS  11          1HG       LYS  11  -2.873   8.475  14.144
   70   2HG   LYS  11          2HG       LYS  11  -2.340   9.185  15.653
   71   1HD   LYS  11          1HD       LYS  11  -0.992  10.895  14.540
   72   2HD   LYS  11          2HD       LYS  11  -1.227  10.166  12.956
   73   1HE   LYS  11          1HE       LYS  11  -3.719  10.586  13.095
   74   2HE   LYS  11          2HE       LYS  11  -3.502  11.356  14.675
   75   1HZ   LYS  11          1HZ       LYS  11  -3.576  12.947  12.871
   76   2HZ   LYS  11          2HZ       LYS  11  -2.302  12.258  12.114
   77    H    CYS  12           H        CYS  12  -1.799   7.688  11.849
   78    HA   CYS  12           HA       CYS  12   0.315   8.995   9.975
   79   1HB   CYS  12          1HB       CYS  12   0.116   7.406   8.242
   80   2HB   CYS  12          2HB       CYS  12   0.136   6.397   9.655
   81    H    THR  13           H        THR  13  -0.820   9.255   7.811
   82    HA   THR  13           HA       THR  13  -3.686  10.231   7.914
   83    HB   THR  13           HB       THR  13  -2.776  12.283   6.371
   84    HG1  THR  13           HG1      THR  13  -0.545  11.770   6.844
   85   1HG2  THR  13          2HG2      THR  13  -4.184  12.677   8.357
   86   2HG2  THR  13          3HG2      THR  13  -2.738  12.529   9.430
   87   3HG2  THR  13          1HG2      THR  13  -2.853  13.855   8.241
   88    H    TRP  14           H        TRP  14  -4.598  10.078   6.018
   89    HA   TRP  14           HA       TRP  14  -3.125   8.781   3.643
   90   1HB   TRP  14          1HB       TRP  14  -5.320   7.626   4.578
   91   2HB   TRP  14          2HB       TRP  14  -6.207   8.935   3.822
   92    HD1  TRP  14           HD1      TRP  14  -3.218   6.502   2.742
   93    HE1  TRP  14           HE1      TRP  14  -3.678   5.442   0.363
   94    HE3  TRP  14           HE3      TRP  14  -7.673   8.871   1.887
   95    HZ2  TRP  14           HZ2      TRP  14  -5.824   5.704  -1.521
   96    HZ3  TRP  14           HZ3      TRP  14  -8.889   8.409  -0.214
   97    HH2  TRP  14           HH2      TRP  14  -7.979   6.850  -1.889
   98    H    GLY  15           H        GLY  15  -2.391  10.292   2.497
   99   1HA   GLY  15          1HA       GLY  15  -2.247  12.385   1.131
  100   2HA   GLY  15          2HA       GLY  15  -3.764  12.979   1.869
  101    H    GLY  16           H        GLY  16  -0.511  11.860   2.651
  102   1HA   GLY  16          1HA       GLY  16   0.030  13.628   5.164
  103   2HA   GLY  16          2HA       GLY  16  -0.631  12.094   5.307
  104    H    THR  17           H        THR  17   1.073  11.694   6.496
  105    HA   THR  17           HA       THR  17   3.469  10.441   5.062
  106    HB   THR  17           HB       THR  17   2.946   9.614   7.960
  107    HG1  THR  17           HG1      THR  17   4.120  12.091   7.099
  108   1HG2  THR  17          2HG2      THR  17   5.539  10.245   6.394
  109   2HG2  THR  17          3HG2      THR  17   5.429   9.714   8.085
  110   3HG2  THR  17          1HG2      THR  17   4.879   8.647   6.797
  111    H    LYS  18           H        LYS  18   3.540   8.350   4.659
  112    HA   LYS  18           HA       LYS  18   1.395   6.329   5.569
  113   1HB   LYS  18          1HB       LYS  18   2.702   5.896   2.870
  114   2HB   LYS  18          2HB       LYS  18   1.393   5.101   3.617
  115   1HG   LYS  18          1HG       LYS  18   0.193   6.203   2.046
  116   2HG   LYS  18          2HG       LYS  18  -0.080   7.183   3.475
  117   1HD   LYS  18          1HD       LYS  18   1.732   8.820   2.583
  118   2HD   LYS  18          2HD       LYS  18   1.831   7.824   1.131
  119   1HE   LYS  18          1HE       LYS  18  -0.643   8.258   0.684
  120   2HE   LYS  18          2HE       LYS  18  -0.741   9.219   2.167
  121   1HZ   LYS  18          1HZ       LYS  18  -0.435  10.583   0.213
  122   2HZ   LYS  18          2HZ       LYS  18   0.963   9.834  -0.181
  123    H    CYS  19           H        CYS  19   2.421   4.256   5.039
  124    HA   CYS  19           HA       CYS  19   4.436   4.212   7.172
  125   1HB   CYS  19          1HB       CYS  19   2.922   1.963   5.860
  126   2HB   CYS  19          2HB       CYS  19   4.493   1.465   6.575
  127    H    CYS  20           H        CYS  20   6.302   3.471   7.230
  128    HA   CYS  20           HA       CYS  20   8.059   4.821   5.832
  129   1HB   CYS  20          1HB       CYS  20   8.234   3.794   8.151
  130   2HB   CYS  20          2HB       CYS  20   9.004   2.366   7.456
  131    H    ARG  21           H        ARG  21   7.758   1.328   5.523
  132    HA   ARG  21           HA       ARG  21   9.914   1.111   3.351
  133   1HB   ARG  21          1HB       ARG  21   9.862  -0.426   5.504
  134   2HB   ARG  21          2HB       ARG  21   8.410  -1.178   4.856
  135   1HG   ARG  21          1HG       ARG  21   9.730  -2.045   2.905
  136   2HG   ARG  21          2HG       ARG  21  11.150  -1.156   3.410
  137   1HD   ARG  21          1HD       ARG  21   9.818  -3.385   5.096
  138   2HD   ARG  21          2HD       ARG  21  11.120  -3.656   3.933
  139   1HH1  ARG  21          2HH2      ARG  21  11.734  -5.027   5.730
  140   2HH1  ARG  21          1HH2      ARG  21  13.014  -5.087   7.044
  141   1HH2  ARG  21          1HH1      ARG  21  13.270  -1.652   7.245
  142   2HH2  ARG  21          2HH1      ARG  21  13.829  -3.293   7.847
  143    H    GLY  22           H        GLY  22   7.485   2.212   2.958
  144   1HA   GLY  22          1HA       GLY  22   6.118   2.607   0.880
  145   2HA   GLY  22          2HA       GLY  22   6.881   1.199   0.180
  146    H    ARG  23           H        ARG  23   4.933   1.800   2.899
  147    HA   ARG  23           HA       ARG  23   3.000  -0.487   2.208
  148   1HB   ARG  23          1HB       ARG  23   4.235   0.493   4.817
  149   2HB   ARG  23          2HB       ARG  23   2.925  -0.626   4.886
  150   1HG   ARG  23          1HG       ARG  23   5.763  -0.955   3.766
  151   2HG   ARG  23          2HG       ARG  23   5.127  -1.649   5.241
  152   1HD   ARG  23          1HD       ARG  23   3.702  -3.245   3.993
  153   2HD   ARG  23          2HD       ARG  23   4.059  -2.476   2.450
  154   1HH1  ARG  23          2HH2      ARG  23   5.491  -2.622   1.015
  155   2HH1  ARG  23          1HH2      ARG  23   6.979  -3.499   0.397
  156   1HH2  ARG  23          1HH1      ARG  23   7.606  -5.017   3.429
  157   2HH2  ARG  23          2HH1      ARG  23   8.100  -4.769   1.679
  158    HA   PRO  24           HA       PRO  24  -0.228   2.576   2.286
  159   1HB   PRO  24          1HB       PRO  24  -2.530   0.987   2.543
  160   2HB   PRO  24          2HB       PRO  24  -1.465   0.982   1.134
  161   1HG   PRO  24          1HG       PRO  24  -1.469  -1.024   3.428
  162   2HG   PRO  24          2HG       PRO  24  -1.438  -1.329   1.673
  163   1HD   PRO  24          1HD       PRO  24   0.868  -1.350   3.200
  164   2HD   PRO  24          2HD       PRO  24   0.867  -0.792   1.499
  165    H    CYS  25           H        CYS  25  -2.076   3.463   3.307
  166    HA   CYS  25           HA       CYS  25  -2.295   3.205   6.331
  167   1HB   CYS  25          1HB       CYS  25  -0.639   4.885   6.214
  168   2HB   CYS  25          2HB       CYS  25  -1.337   5.645   4.804
  169    H    ARG  26           H        ARG  26  -4.329   3.421   6.980
  170    HA   ARG  26           HA       ARG  26  -6.514   4.517   5.219
  171   1HB   ARG  26          1HB       ARG  26  -6.622   1.584   6.207
  172   2HB   ARG  26          2HB       ARG  26  -7.955   2.481   5.505
  173   1HG   ARG  26          1HG       ARG  26  -6.636   2.770   3.349
  174   2HG   ARG  26          2HG       ARG  26  -5.338   1.793   4.036
  175   1HD   ARG  26          1HD       ARG  26  -6.974  -0.170   4.283
  176   2HD   ARG  26          2HD       ARG  26  -8.219   0.819   3.535
  177   1HH1  ARG  26          2HH2      ARG  26  -5.138  -0.952   3.829
  178   2HH1  ARG  26          1HH2      ARG  26  -4.126  -1.727   2.509
  179   1HH2  ARG  26          1HH1      ARG  26  -5.918  -0.263  -0.035
  180   2HH2  ARG  26          2HH1      ARG  26  -4.539  -1.361   0.473
  181    H    CYS  27           H        CYS  27  -8.017   5.412   6.565
  182    HA   CYS  27           HA       CYS  27  -7.020   5.930   9.169
  183   1HB   CYS  27          2HB       CYS  27  -9.802   6.653   8.193
  184   2HB   CYS  27          1HB       CYS  27  -9.053   7.498   9.412
  185    H    SER  28           H        SER  28  -8.944   6.319  10.736
  186    HA   SER  28           HA       SER  28  -9.591   3.673  12.205
  187   1HB   SER  28          1HB       SER  28  -8.534   5.845  13.300
  188   2HB   SER  28          2HB       SER  28 -10.137   6.546  13.247
  189    HG   SER  28           HG       SER  28  -9.396   4.075  14.408
  190    H    MET  29           H        MET  29 -11.718   4.483  13.500
  191    HA   MET  29           HA       MET  29 -13.780   3.124  11.808
  192   1HB   MET  29          1HB       MET  29 -13.372   2.913  14.398
  193   2HB   MET  29          2HB       MET  29 -14.230   4.414  14.610
  194   1HG   MET  29          1HG       MET  29 -15.439   1.896  13.270
  195   2HG   MET  29          2HG       MET  29 -15.596   2.299  14.987
  196   1HE   MET  29          2HE       MET  29 -18.093   1.801  12.982
  197   2HE   MET  29          1HE       MET  29 -18.284   2.150  14.729
  198   3HE   MET  29          3HE       MET  29 -19.198   3.100  13.521
  199    H    ILE  30           H        ILE  30 -13.642   6.287  13.259
  200    HA   ILE  30           HA       ILE  30 -15.972   7.397  11.585
  201    HB   ILE  30           HB       ILE  30 -15.656   8.080  14.065
  202   1HG1  ILE  30          1HG1      ILE  30 -15.867  10.591  13.726
  203   2HG1  ILE  30          2HG1      ILE  30 -15.400  10.427  12.046
  204   1HG2  ILE  30          1HG2      ILE  30 -13.087   8.197  14.088
  205   2HG2  ILE  30          2HG2      ILE  30 -13.166   9.659  13.080
  206   3HG2  ILE  30          3HG2      ILE  30 -13.846   9.665  14.718
  207   1HD1  ILE  30          3HD1      ILE  30 -17.921   9.159  13.336
  208   2HD1  ILE  30          1HD1      ILE  30 -17.885  10.649  12.364
  209   3HD1  ILE  30          2HD1      ILE  30 -17.511   9.091  11.600
  210    H    GLY  31           H        GLY  31 -12.435   7.496  11.555
  211   1HA   GLY  31          2HA       GLY  31 -11.340   7.712   9.315
  212   2HA   GLY  31          1HA       GLY  31 -12.410   8.929   8.799
  213    H    THR  32           H        THR  32 -11.974   9.972  11.823
  214    HA   THR  32           HA       THR  32  -9.449  11.606  11.261
  215    HB   THR  32           HB       THR  32  -9.852  12.681  13.478
  216    HG1  THR  32           HG1      THR  32 -12.286  11.200  13.384
  217   1HG2  THR  32          3HG2      THR  32 -10.863  13.752  11.404
  218   2HG2  THR  32          1HG2      THR  32 -12.365  12.822  11.647
  219   3HG2  THR  32          2HG2      THR  32 -11.868  14.044  12.841
  220    H    ASN  33           H        ASN  33  -7.744  11.430  12.797
  221    HA   ASN  33           HA       ASN  33  -5.989  10.300  13.895
  222   1HB   ASN  33          1HB       ASN  33  -6.388   8.933  15.782
  223   2HB   ASN  33          2HB       ASN  33  -7.638  10.134  15.835
  224   1HD2  ASN  33          1HD2      ASN  33  -8.679   6.273  16.271
  225   2HD2  ASN  33          2HD2      ASN  33  -6.951   6.779  15.917
  226    H    CYS  34           H        CYS  34  -6.247   9.782  11.433
  227    HA   CYS  34           HA       CYS  34  -6.829   7.148  10.555
  228   1HB   CYS  34          1HB       CYS  34  -4.673   8.867   9.280
  229   2HB   CYS  34          2HB       CYS  34  -5.417   7.491   8.510
  230    H    GLU  35           H        GLU  35  -5.385   5.296   9.931
  231    HA   GLU  35           HA       GLU  35  -2.706   5.206  11.466
  232   1HB   GLU  35          1HB       GLU  35  -4.368   2.668  11.612
  233   2HB   GLU  35          2HB       GLU  35  -3.090   3.234  12.612
  234   1HG   GLU  35          1HG       GLU  35  -4.524   4.902  13.776
  235   2HG   GLU  35          2HG       GLU  35  -5.915   4.406  12.813
  236    HE1  GLU  35           HE2      GLU  35  -4.476   2.063  15.792
  237    H    CYS  36           H        CYS  36  -1.743   2.951  11.059
  238    HA   CYS  36           HA       CYS  36  -1.240   2.824   8.032
  239   1HB   CYS  36          1HB       CYS  36   0.561   2.267  10.413
  240   2HB   CYS  36          2HB       CYS  36   0.746   1.106   9.177
  241    H    THR  37           H        THR  37  -1.136   0.775   7.016
  242    HA   THR  37           HA       THR  37  -2.726  -1.524   8.289
  243    HB   THR  37           HB       THR  37  -3.636  -1.999   5.930
  244    HG1  THR  37           HG1      THR  37  -2.277  -0.500   4.852
  245   1HG2  THR  37          2HG2      THR  37  -5.062  -1.020   7.799
  246   2HG2  THR  37          3HG2      THR  37  -4.613   0.624   7.269
  247   3HG2  THR  37          1HG2      THR  37  -5.552  -0.445   6.194
  248    HA   PRO  38           HA       PRO  38   1.068  -3.949   7.212
  249   1HB   PRO  38          1HB       PRO  38  -1.163  -6.049   6.771
  250   2HB   PRO  38          2HB       PRO  38   0.415  -6.275   7.550
  251   1HG   PRO  38          1HG       PRO  38  -1.820  -5.913   9.060
  252   2HG   PRO  38          2HG       PRO  38  -0.298  -5.135   9.539
  253   1HD   PRO  38          1HD       PRO  38  -2.736  -3.840   8.303
  254   2HD   PRO  38          2HD       PRO  38  -1.528  -3.142   9.374
  255    H    ARG  39           H        ARG  39  -1.553  -4.983   4.999
  256    HA   ARG  39           HA       ARG  39  -0.235  -3.610   2.711
  257   1HB   ARG  39          1HB       ARG  39   1.161  -5.768   2.922
  258   2HB   ARG  39          2HB       ARG  39  -0.270  -6.722   2.575
  259   1HG   ARG  39          1HG       ARG  39  -0.473  -5.597   0.327
  260   2HG   ARG  39          2HG       ARG  39   0.867  -4.530   0.706
  261   1HD   ARG  39          1HD       ARG  39   1.104  -7.609   0.503
  262   2HD   ARG  39          2HD       ARG  39   1.400  -6.492  -0.833
  263   1HH1  ARG  39          2HH2      ARG  39   2.860  -8.301  -0.972
  264   2HH1  ARG  39          1HH2      ARG  39   4.669  -8.587  -0.852
  265   1HH2  ARG  39          1HH1      ARG  39   5.138  -6.081   1.462
  266   2HH2  ARG  39          2HH1      ARG  39   5.868  -7.413   0.433
  267    H    LEU  40           H        LEU  40  -2.268  -6.532   2.673
  268    HA   LEU  40           HA       LEU  40  -4.443  -6.998   1.809
  269   1HB   LEU  40          1HB       LEU  40  -5.228  -5.058   3.356
  270   2HB   LEU  40          2HB       LEU  40  -5.003  -3.946   2.026
  271    HG   LEU  40           HG       LEU  40  -6.717  -5.283   0.669
  272   1HD1  LEU  40          1HD1      LEU  40  -7.286  -6.668   3.380
  273   2HD1  LEU  40          2HD1      LEU  40  -8.316  -6.765   1.929
  274   3HD1  LEU  40          3HD1      LEU  40  -6.691  -7.465   1.903
  275   1HD2  LEU  40          2HD2      LEU  40  -7.298  -3.139   1.796
  276   2HD2  LEU  40          3HD2      LEU  40  -8.672  -4.257   1.843
  277   3HD2  LEU  40          1HD2      LEU  40  -7.687  -4.000   3.305
  278    H    ILE  41           H        ILE  41  -4.229  -3.824   0.243
  279    HA   ILE  41           HA       ILE  41  -2.702  -5.049  -2.105
  280    HB   ILE  41           HB       ILE  41  -3.760  -3.328  -3.706
  281   1HG1  ILE  41          1HG1      ILE  41  -6.031  -3.103  -1.613
  282   2HG1  ILE  41          2HG1      ILE  41  -4.840  -1.850  -1.909
  283   1HG2  ILE  41          1HG2      ILE  41  -4.345  -5.824  -3.651
  284   2HG2  ILE  41          2HG2      ILE  41  -5.685  -5.485  -2.529
  285   3HG2  ILE  41          3HG2      ILE  41  -5.711  -4.842  -4.188
  286   1HD1  ILE  41          2HD1      ILE  41  -5.588  -1.621  -4.302
  287   2HD1  ILE  41          3HD1      ILE  41  -6.869  -2.827  -3.999
  288   3HD1  ILE  41          1HD1      ILE  41  -6.875  -1.283  -3.120
  289    H    MET  42           H        MET  42  -0.860  -3.991  -2.410
  290    HA   MET  42           HA       MET  42  -0.035  -1.958  -0.415
  291   1HB   MET  42          1HB       MET  42   1.410  -3.928  -1.431
  292   2HB   MET  42          2HB       MET  42   1.649  -2.917  -2.837
  293   1HG   MET  42          1HG       MET  42   2.637  -1.106  -1.233
  294   2HG   MET  42          2HG       MET  42   2.468  -2.282   0.077
  295   1HE   MET  42          1HE       MET  42   4.097  -1.694  -3.549
  296   2HE   MET  42          3HE       MET  42   4.965  -0.816  -2.251
  297   3HE   MET  42          2HE       MET  42   5.766  -2.166  -3.106
  298    H    GLU  43           H        GLU  43  -0.204   0.139  -0.625
  299    HA   GLU  43           HA       GLU  43   0.326   1.518  -3.308
  300   1HB   GLU  43          1HB       GLU  43  -1.326   3.277  -2.833
  301   2HB   GLU  43          2HB       GLU  43  -2.047   1.722  -3.158
  302   1HG   GLU  43          1HG       GLU  43  -2.598   1.411  -0.729
  303   2HG   GLU  43          2HG       GLU  43  -1.855   2.963  -0.334
  304    HE1  GLU  43           HE2      GLU  43  -4.369   4.864  -1.973
  305    H    GLY  44           H        GLY  44   2.182   2.389  -2.966
  306   1HA   GLY  44          1HA       GLY  44   2.922   4.425  -1.047
  307   2HA   GLY  44          2HA       GLY  44   3.394   2.889  -0.314
  308    H    LEU  45           H        LEU  45   4.878   1.563  -1.438
  309    HA   LEU  45           HA       LEU  45   6.935   1.063  -2.487
  310   1HB   LEU  45          1HB       LEU  45   5.308   1.234  -4.506
  311   2HB   LEU  45          2HB       LEU  45   5.823   2.890  -4.741
  312    HG   LEU  45           HG       LEU  45   8.213   2.035  -5.127
  313   1HD1  LEU  45          1HD1      LEU  45   6.878  -0.759  -5.154
  314   2HD1  LEU  45          2HD1      LEU  45   8.535  -0.395  -5.697
  315   3HD1  LEU  45          3HD1      LEU  45   8.104  -0.196  -3.992
  316   1HD2  LEU  45          1HD2      LEU  45   6.699   2.620  -7.025
  317   2HD2  LEU  45          2HD2      LEU  45   7.754   1.260  -7.454
  318   3HD2  LEU  45          3HD2      LEU  45   6.045   0.963  -7.047
  319    H    SER  46           H        SER  46   8.125   2.092  -0.947
  320    HA   SER  46           HA       SER  46   9.962   4.253  -1.892
  321   1HB   SER  46          1HB       SER  46   9.585   5.806   0.057
  322   2HB   SER  46          2HB       SER  46   8.201   5.748  -1.026
  323    HG   SER  46           HG       SER  46   7.612   5.640   1.149
  324    H    PHE  47           H        PHE  47  11.677   3.034  -1.511
  325    HA   PHE  47           HA       PHE  47  13.338   1.628  -0.559
  326   1HB   PHE  47          1HB       PHE  47  13.362   3.268   1.363
  327   2HB   PHE  47          2HB       PHE  47  12.049   2.451   2.158
  328    HD1  PHE  47           HD2      PHE  47  15.584   1.837   0.924
  329    HD2  PHE  47           HD1      PHE  47  12.526   0.723   3.741
  330    HE1  PHE  47           HE2      PHE  47  17.185   0.389   2.108
  331    HE2  PHE  47           HE1      PHE  47  14.137  -0.724   4.904
  332    HZ   PHE  47           HZ       PHE  47  16.466  -0.895   4.095
  333    H    ALA  48           H        ALA  48  12.693  -0.200  -1.474
  334    HA   ALA  48           HA       ALA  48  11.832  -2.401  -1.820
  335   1HB   ALA  48          2HB       ALA  48  13.270  -2.770   0.251
  336   2HB   ALA  48          3HB       ALA  48  11.880  -2.415   1.305
  337   3HB   ALA  48          1HB       ALA  48  11.862  -3.846   0.252
  338    HXT  ALA  48           HO       ALA  48   8.447  -1.591  -1.927
   
  No H/Q in entry =         338
  Start of MODEL           7
 Raw file had  348 H/Q atoms
  Start of MODEL    7
    1   1H    GLU   1          2H        GLU   1  16.189  11.119   4.249
    2   2H    GLU   1          3H        GLU   1  15.042  10.465   3.255
    3   3H    GLU   1          1H        GLU   1  15.588  12.002   2.988
    4    HA   GLU   1           HA       GLU   1  14.638  12.792   5.079
    5   1HB   GLU   1          1HB       GLU   1  12.726  11.313   3.138
    6   2HB   GLU   1          2HB       GLU   1  12.121  12.286   4.454
    7   1HG   GLU   1          1HG       GLU   1  13.905  13.390   2.197
    8   2HG   GLU   1          2HG       GLU   1  12.152  13.461   2.229
    9    HE1  GLU   1           HE2      GLU   1  11.910  15.923   4.693
   10    H    ASP   2           H        ASP   2  14.666  12.074   7.062
   11    HA   ASP   2           HA       ASP   2  13.614   9.289   7.839
   12   1HB   ASP   2          1HB       ASP   2  15.909  10.007   8.675
   13   2HB   ASP   2          2HB       ASP   2  15.183  11.346   9.543
   14    HD2  ASP   2           HD2      ASP   2  14.061  10.953  11.269
   15    H    ASN   3           H        ASN   3  11.433   9.549   7.741
   16    HA   ASN   3           HA       ASN   3   9.920  10.627   9.790
   17   1HB   ASN   3          1HB       ASN   3   8.575  12.363   8.794
   18   2HB   ASN   3          2HB       ASN   3  10.151  12.939   9.262
   19   1HD2  ASN   3          1HD2      ASN   3   9.010  13.865   5.527
   20   2HD2  ASN   3          2HD2      ASN   3   7.903  13.204   6.832
   21    H    CYS   4           H        CYS   4   9.391   8.771   9.309
   22    HA   CYS   4           HA       CYS   4   7.277   8.088   7.122
   23   1HB   CYS   4          1HB       CYS   4   8.049   5.948   7.077
   24   2HB   CYS   4          2HB       CYS   4   9.212   6.924   6.320
   25    H    ILE   5           H        ILE   5   6.147   5.960   7.639
   26    HA   ILE   5           HA       ILE   5   5.346   5.927  10.664
   27    HB   ILE   5           HB       ILE   5   3.318   4.624   8.712
   28   1HG1  ILE   5          1HG1      ILE   5   3.482   7.075   7.961
   29   2HG1  ILE   5          2HG1      ILE   5   2.022   6.538   8.580
   30   1HG2  ILE   5          3HG2      ILE   5   3.188   5.575  11.615
   31   2HG2  ILE   5          1HG2      ILE   5   1.822   5.037  10.621
   32   3HG2  ILE   5          2HG2      ILE   5   3.130   3.919  10.985
   33   1HD1  ILE   5          2HD1      ILE   5   2.947   7.586  10.882
   34   2HD1  ILE   5          3HD1      ILE   5   4.136   8.337   9.771
   35   3HD1  ILE   5          1HD1      ILE   5   2.364   8.625   9.562
   36    H    ALA   6           H        ALA   6   6.924   4.479  11.159
   37    HA   ALA   6           HA       ALA   6   7.514   2.072   9.399
   38   1HB   ALA   6          2HB       ALA   6   9.402   3.349  10.543
   39   2HB   ALA   6          3HB       ALA   6   8.729   2.954  12.148
   40   3HB   ALA   6          1HB       ALA   6   9.378   1.668  11.105
   41    H    GLU   7           H        GLU   7   5.118   2.521  11.120
   42    HA   GLU   7           HA       GLU   7   4.884  -0.021  12.780
   43   1HB   GLU   7          2HB       GLU   7   3.454   2.686  12.856
   44   2HB   GLU   7          1HB       GLU   7   2.950   1.342  13.843
   45   1HG   GLU   7          1HG       GLU   7   4.180   2.599  15.335
   46   2HG   GLU   7          2HG       GLU   7   5.268   1.284  14.932
   47    HE1  GLU   7           HE2      GLU   7   5.994   5.071  13.548
   48    H    ASP   8           H        ASP   8   3.033  -1.006  13.176
   49    HA   ASP   8           HA       ASP   8   1.085  -1.234  10.822
   50   1HB   ASP   8          1HB       ASP   8   1.007  -3.328  12.975
   51   2HB   ASP   8          2HB       ASP   8   0.467  -3.403  11.308
   52    HD1  ASP   8           HD2      ASP   8   2.476  -2.614   9.934
   53    H    TYR   9           H        TYR   9  -0.654  -0.465  11.361
   54    HA   TYR   9           HA       TYR   9  -2.281   1.083  12.318
   55   1HB   TYR   9          1HB       TYR   9  -1.836  -0.611  14.896
   56   2HB   TYR   9          2HB       TYR   9  -3.202   0.415  14.560
   57    HD1  TYR   9           HD1      TYR   9  -4.763  -0.161  12.535
   58    HD2  TYR   9           HD2      TYR   9  -1.777  -2.908  13.972
   59    HE1  TYR   9           HE1      TYR   9  -5.738  -1.959  11.168
   60    HE2  TYR   9           HE2      TYR   9  -2.763  -4.690  12.604
   61    HH   TYR   9           HH       TYR   9  -5.605  -4.074  10.541
   62    H    GLY  10           H        GLY  10   0.433   1.966  12.237
   63   1HA   GLY  10          1HA       GLY  10   0.895   3.793  14.606
   64   2HA   GLY  10          2HA       GLY  10   1.799   3.888  13.203
   65    H    LYS  11           H        LYS  11   0.729   5.821  14.498
   66    HA   LYS  11           HA       LYS  11  -1.777   6.888  13.204
   67   1HB   LYS  11          1HB       LYS  11   0.124   8.764  14.650
   68   2HB   LYS  11          2HB       LYS  11  -1.565   8.984  14.345
   69   1HG   LYS  11          1HG       LYS  11  -2.167   7.087  15.901
   70   2HG   LYS  11          2HG       LYS  11  -0.462   6.894  16.316
   71   1HD   LYS  11          1HD       LYS  11  -0.391   9.280  17.160
   72   2HD   LYS  11          2HD       LYS  11  -2.100   9.474  16.754
   73   1HE   LYS  11          1HE       LYS  11  -2.700   7.608  18.379
   74   2HE   LYS  11          2HE       LYS  11  -0.989   7.416  18.788
   75   1HZ   LYS  11          1HZ       LYS  11  -0.961   9.684  19.593
   76   2HZ   LYS  11          2HZ       LYS  11  -2.096   8.805  20.374
   77    H    CYS  12           H        CYS  12  -1.892   7.855  11.588
   78    HA   CYS  12           HA       CYS  12   0.287   9.237   9.863
   79   1HB   CYS  12          1HB       CYS  12   0.171   7.693   8.089
   80   2HB   CYS  12          2HB       CYS  12   0.260   6.708   9.518
   81    H    THR  13           H        THR  13  -0.790   9.622   7.646
   82    HA   THR  13           HA       THR  13  -3.728  10.485   7.858
   83    HB   THR  13           HB       THR  13  -3.561  12.693   8.075
   84    HG1  THR  13           HG1      THR  13  -2.254  14.023   6.771
   85   1HG2  THR  13          2HG2      THR  13  -1.559  12.401   9.673
   86   2HG2  THR  13          3HG2      THR  13  -0.439  12.519   8.286
   87   3HG2  THR  13          1HG2      THR  13  -1.420  13.920   8.768
   88    H    TRP  14           H        TRP  14  -4.663  11.081   6.062
   89    HA   TRP  14           HA       TRP  14  -3.614  10.018   3.385
   90   1HB   TRP  14          1HB       TRP  14  -6.398  11.128   4.122
   91   2HB   TRP  14          2HB       TRP  14  -5.921  10.677   2.502
   92    HD1  TRP  14           HD1      TRP  14  -4.475   7.769   3.130
   93    HE1  TRP  14           HE1      TRP  14  -6.008   5.676   3.565
   94    HE3  TRP  14           HE3      TRP  14  -8.618  10.372   4.634
   95    HZ2  TRP  14           HZ2      TRP  14  -8.711   5.371   4.447
   96    HZ3  TRP  14           HZ3      TRP  14 -10.649   9.113   5.261
   97    HH2  TRP  14           HH2      TRP  14 -10.696   6.654   5.168
   98    H    GLY  15           H        GLY  15  -2.341  11.448   2.454
   99   1HA   GLY  15          1HA       GLY  15  -1.621  13.574   1.421
  100   2HA   GLY  15          2HA       GLY  15  -2.950  14.431   2.204
  101    H    GLY  16           H        GLY  16  -0.120  12.491   2.976
  102   1HA   GLY  16          1HA       GLY  16   1.178  14.209   5.094
  103   2HA   GLY  16          2HA       GLY  16   0.068  13.032   5.752
  104    H    THR  17           H        THR  17   1.800  12.233   6.664
  105    HA   THR  17           HA       THR  17   3.893  10.652   5.200
  106    HB   THR  17           HB       THR  17   3.179   9.692   8.016
  107    HG1  THR  17           HG1      THR  17   4.590  12.111   7.404
  108   1HG2  THR  17          3HG2      THR  17   5.868  10.223   6.579
  109   2HG2  THR  17          1HG2      THR  17   5.670   9.591   8.230
  110   3HG2  THR  17          2HG2      THR  17   5.088   8.656   6.857
  111    H    LYS  18           H        LYS  18   3.826   8.689   4.646
  112    HA   LYS  18           HA       LYS  18   1.473   6.741   5.107
  113   1HB   LYS  18          1HB       LYS  18   3.214   6.349   2.690
  114   2HB   LYS  18          2HB       LYS  18   1.654   5.734   3.038
  115   1HG   LYS  18          1HG       LYS  18   2.141   8.644   2.189
  116   2HG   LYS  18          2HG       LYS  18   1.557   7.346   1.162
  117   1HD   LYS  18          1HD       LYS  18  -0.539   7.119   2.529
  118   2HD   LYS  18          2HD       LYS  18   0.060   8.289   3.690
  119   1HE   LYS  18          1HE       LYS  18  -1.527   9.459   2.345
  120   2HE   LYS  18          2HE       LYS  18   0.054  10.106   1.922
  121   1HZ   LYS  18          1HZ       LYS  18   0.032   8.716  -0.062
  122   2HZ   LYS  18          2HZ       LYS  18  -1.266   9.709  -0.024
  123    H    CYS  19           H        CYS  19   2.445   4.615   4.620
  124    HA   CYS  19           HA       CYS  19   4.183   4.335   7.041
  125   1HB   CYS  19          1HB       CYS  19   2.783   2.230   5.307
  126   2HB   CYS  19          2HB       CYS  19   3.842   1.767   6.698
  127    H    CYS  20           H        CYS  20   6.068   3.464   7.209
  128    HA   CYS  20           HA       CYS  20   7.964   4.635   5.795
  129   1HB   CYS  20          1HB       CYS  20   8.060   3.624   8.128
  130   2HB   CYS  20          2HB       CYS  20   8.682   2.115   7.460
  131    H    ARG  21           H        ARG  21   7.371   1.170   5.526
  132    HA   ARG  21           HA       ARG  21   9.760   0.657   3.685
  133   1HB   ARG  21          1HB       ARG  21   9.158  -0.748   5.847
  134   2HB   ARG  21          2HB       ARG  21   7.773  -1.375   4.968
  135   1HG   ARG  21          1HG       ARG  21   9.419  -2.393   3.271
  136   2HG   ARG  21          2HG       ARG  21  10.753  -1.741   4.222
  137   1HD   ARG  21          1HD       ARG  21  10.045  -3.120   6.203
  138   2HD   ARG  21          2HD       ARG  21   8.619  -3.701   5.345
  139   1HH1  ARG  21          2HH2      ARG  21   8.261  -4.907   3.592
  140   2HH1  ARG  21          1HH2      ARG  21   8.843  -6.391   2.682
  141   1HH2  ARG  21          1HH1      ARG  21  12.058  -6.141   3.905
  142   2HH2  ARG  21          2HH1      ARG  21  10.860  -7.044   2.850
  143    H    GLY  22           H        GLY  22   7.602   1.956   2.861
  144   1HA   GLY  22          1HA       GLY  22   6.383   2.387   0.682
  145   2HA   GLY  22          2HA       GLY  22   7.038   0.891   0.063
  146    H    ARG  23           H        ARG  23   5.083   1.841   2.679
  147    HA   ARG  23           HA       ARG  23   3.073  -0.438   2.220
  148   1HB   ARG  23          1HB       ARG  23   4.236   0.850   4.726
  149   2HB   ARG  23          2HB       ARG  23   2.761  -0.117   4.836
  150   1HG   ARG  23          1HG       ARG  23   5.583  -0.977   4.049
  151   2HG   ARG  23          2HG       ARG  23   4.781  -1.210   5.600
  152   1HD   ARG  23          1HD       ARG  23   3.027  -2.699   4.500
  153   2HD   ARG  23          2HD       ARG  23   3.827  -2.475   2.950
  154   1HH1  ARG  23          2HH2      ARG  23   3.339  -3.814   6.206
  155   2HH1  ARG  23          1HH2      ARG  23   4.165  -5.282   6.932
  156   1HH2  ARG  23          1HH1      ARG  23   6.586  -5.395   4.478
  157   2HH2  ARG  23          2HH1      ARG  23   5.891  -6.121   6.013
  158    HA   PRO  24           HA       PRO  24  -0.157   2.795   2.043
  159   1HB   PRO  24          1HB       PRO  24  -2.439   1.221   2.135
  160   2HB   PRO  24          2HB       PRO  24  -1.321   1.203   0.765
  161   1HG   PRO  24          1HG       PRO  24  -1.440  -0.775   3.103
  162   2HG   PRO  24          2HG       PRO  24  -1.366  -1.148   1.365
  163   1HD   PRO  24          1HD       PRO  24   0.889  -1.131   2.997
  164   2HD   PRO  24          2HD       PRO  24   0.977  -0.689   1.265
  165    H    CYS  25           H        CYS  25  -1.860   3.717   3.160
  166    HA   CYS  25           HA       CYS  25  -2.225   2.995   6.117
  167   1HB   CYS  25          1HB       CYS  25  -1.112   5.527   5.142
  168   2HB   CYS  25          2HB       CYS  25  -2.713   5.824   5.876
  169    H    ARG  26           H        ARG  26  -4.300   3.282   6.851
  170    HA   ARG  26           HA       ARG  26  -6.497   4.298   5.133
  171   1HB   ARG  26          1HB       ARG  26  -6.272   1.714   4.574
  172   2HB   ARG  26          2HB       ARG  26  -6.857   1.435   6.212
  173   1HG   ARG  26          1HG       ARG  26  -8.956   2.825   5.622
  174   2HG   ARG  26          2HG       ARG  26  -8.325   2.982   3.991
  175   1HD   ARG  26          1HD       ARG  26  -9.948   1.214   3.941
  176   2HD   ARG  26          2HD       ARG  26  -8.380   0.467   3.705
  177   1HH1  ARG  26          2HH2      ARG  26  -7.825  -1.296   4.129
  178   2HH1  ARG  26          1HH2      ARG  26  -7.834  -2.747   5.252
  179   1HH2  ARG  26          1HH1      ARG  26  -9.855  -1.219   7.580
  180   2HH2  ARG  26          2HH1      ARG  26  -8.905  -2.704   7.071
  181    H    CYS  27           H        CYS  27  -8.134   5.078   6.519
  182    HA   CYS  27           HA       CYS  27  -7.033   5.645   9.031
  183   1HB   CYS  27          1HB       CYS  27  -9.745   6.340   7.816
  184   2HB   CYS  27          2HB       CYS  27  -9.571   6.767   9.472
  185    H    SER  28           H        SER  28  -8.293   5.802  10.999
  186    HA   SER  28           HA       SER  28  -8.950   3.263  12.409
  187   1HB   SER  28          1HB       SER  28  -7.806   5.568  13.211
  188   2HB   SER  28          2HB       SER  28  -9.456   6.174  13.338
  189    HG   SER  28           HG       SER  28  -9.885   4.381  14.700
  190    H    MET  29           H        MET  29 -10.837   4.079  13.981
  191    HA   MET  29           HA       MET  29 -13.220   2.762  12.712
  192   1HB   MET  29          1HB       MET  29 -12.719   3.956  15.539
  193   2HB   MET  29          2HB       MET  29 -14.258   3.276  15.090
  194   1HG   MET  29          1HG       MET  29 -11.614   1.691  15.077
  195   2HG   MET  29          2HG       MET  29 -12.862   1.637  16.334
  196   1HE   MET  29          1HE       MET  29 -11.771  -0.972  14.764
  197   2HE   MET  29          3HE       MET  29 -13.013  -1.039  16.054
  198   3HE   MET  29          2HE       MET  29 -13.307  -1.845  14.484
  199    H    ILE  30           H        ILE  30 -12.536   6.065  13.674
  200    HA   ILE  30           HA       ILE  30 -15.407   7.017  13.326
  201    HB   ILE  30           HB       ILE  30 -14.349   9.404  13.646
  202   1HG1  ILE  30          1HG1      ILE  30 -11.823   7.897  14.596
  203   2HG1  ILE  30          2HG1      ILE  30 -11.924   8.651  13.023
  204   1HG2  ILE  30          1HG2      ILE  30 -15.479   8.037  15.482
  205   2HG2  ILE  30          2HG2      ILE  30 -13.918   7.289  15.898
  206   3HG2  ILE  30          3HG2      ILE  30 -14.174   9.033  16.133
  207   1HD1  ILE  30          2HD1      ILE  30 -12.329  10.907  14.048
  208   2HD1  ILE  30          3HD1      ILE  30 -12.196  10.186  15.676
  209   3HD1  ILE  30          1HD1      ILE  30 -10.798  10.176  14.580
  210    H    GLY  31           H        GLY  31 -12.366   7.480  11.518
  211   1HA   GLY  31          1HA       GLY  31 -12.963   7.275   8.845
  212   2HA   GLY  31          2HA       GLY  31 -13.950   8.689   9.164
  213    H    THR  32           H        THR  32 -12.189   9.974  10.956
  214    HA   THR  32           HA       THR  32  -9.899  10.894   9.100
  215    HB   THR  32           HB       THR  32  -9.879  13.040  10.423
  216    HG1  THR  32           HG1      THR  32 -10.994  12.218  12.250
  217   1HG2  THR  32          3HG2      THR  32 -11.157  12.962   8.232
  218   2HG2  THR  32          1HG2      THR  32 -12.640  12.492   9.104
  219   3HG2  THR  32          2HG2      THR  32 -11.906  14.087   9.387
  220    H    ASN  33           H        ASN  33  -7.920  11.479  10.231
  221    HA   ASN  33           HA       ASN  33  -6.116  11.260  11.747
  222   1HB   ASN  33          1HB       ASN  33  -8.239  10.271  13.813
  223   2HB   ASN  33          2HB       ASN  33  -6.555  10.274  14.131
  224   1HD2  ASN  33          1HD2      ASN  33  -6.487  13.838  14.768
  225   2HD2  ASN  33          2HD2      ASN  33  -5.517  12.300  14.527
  226    H    CYS  34           H        CYS  34  -5.912   9.787   9.948
  227    HA   CYS  34           HA       CYS  34  -6.696   7.086  10.082
  228   1HB   CYS  34          1HB       CYS  34  -4.379   8.279   8.475
  229   2HB   CYS  34          2HB       CYS  34  -4.823   6.603   8.226
  230    H    GLU  35           H        GLU  35  -5.249   5.148   9.813
  231    HA   GLU  35           HA       GLU  35  -2.689   5.253  11.474
  232   1HB   GLU  35          1HB       GLU  35  -4.271   2.665  11.801
  233   2HB   GLU  35          2HB       GLU  35  -3.026   3.347  12.774
  234   1HG   GLU  35          1HG       GLU  35  -4.539   5.061  13.765
  235   2HG   GLU  35          2HG       GLU  35  -5.885   4.433  12.814
  236    HE2  GLU  35           HE2      GLU  35  -6.484   1.681  14.782
  237    H    CYS  36           H        CYS  36  -1.657   2.882  11.237
  238    HA   CYS  36           HA       CYS  36  -1.012   2.737   8.261
  239   1HB   CYS  36          1HB       CYS  36   1.005   2.584  10.097
  240   2HB   CYS  36          2HB       CYS  36   0.418   0.962  10.382
  241    H    THR  37           H        THR  37  -1.464   1.004   6.980
  242    HA   THR  37           HA       THR  37  -2.880  -1.467   8.158
  243    HB   THR  37           HB       THR  37  -3.676  -1.932   5.803
  244    HG1  THR  37           HG1      THR  37  -2.350  -0.369   4.762
  245   1HG2  THR  37          2HG2      THR  37  -5.208  -1.042   7.606
  246   2HG2  THR  37          3HG2      THR  37  -4.793   0.630   7.143
  247   3HG2  THR  37          1HG2      THR  37  -5.652  -0.440   5.998
  248    HA   PRO  38           HA       PRO  38   1.132  -3.181   6.596
  249   1HB   PRO  38          1HB       PRO  38   1.091  -5.615   7.920
  250   2HB   PRO  38          2HB       PRO  38   1.299  -4.069   8.749
  251   1HG   PRO  38          1HG       PRO  38  -1.274  -5.691   8.455
  252   2HG   PRO  38          2HG       PRO  38  -0.598  -4.981   9.938
  253   1HD   PRO  38          1HD       PRO  38  -2.572  -3.727   8.436
  254   2HD   PRO  38          2HD       PRO  38  -1.378  -2.787   9.358
  255    H    ARG  39           H        ARG  39   1.871  -4.481   5.033
  256    HA   ARG  39           HA       ARG  39  -0.062  -6.082   3.299
  257   1HB   ARG  39          1HB       ARG  39   2.950  -5.493   2.927
  258   2HB   ARG  39          2HB       ARG  39   1.973  -6.473   1.848
  259   1HG   ARG  39          1HG       ARG  39   0.456  -4.442   1.445
  260   2HG   ARG  39          2HG       ARG  39   1.583  -3.464   2.368
  261   1HD   ARG  39          1HD       ARG  39   2.201  -4.995  -0.248
  262   2HD   ARG  39          2HD       ARG  39   1.924  -3.258  -0.091
  263   1HH1  ARG  39          2HH2      ARG  39   3.398  -3.404  -1.776
  264   2HH1  ARG  39          1HH2      ARG  39   5.157  -3.010  -2.119
  265   1HH2  ARG  39          1HH1      ARG  39   6.155  -3.619   1.122
  266   2HH2  ARG  39          2HH1      ARG  39   6.614  -3.125  -0.584
  267    H    LEU  40           H        LEU  40   3.142  -6.687   4.769
  268    HA   LEU  40           HA       LEU  40   2.239  -9.515   5.614
  269   1HB   LEU  40          1HB       LEU  40   4.168  -9.424   3.932
  270   2HB   LEU  40          2HB       LEU  40   5.096  -8.475   5.071
  271    HG   LEU  40           HG       LEU  40   4.952 -10.463   6.722
  272   1HD1  LEU  40          1HD1      LEU  40   3.872 -11.985   4.252
  273   2HD1  LEU  40          2HD1      LEU  40   4.425 -12.731   5.772
  274   3HD1  LEU  40          3HD1      LEU  40   2.989 -11.696   5.772
  275   1HD2  LEU  40          1HD2      LEU  40   6.997 -10.000   5.373
  276   2HD2  LEU  40          2HD2      LEU  40   6.758 -11.746   5.573
  277   3HD2  LEU  40          3HD2      LEU  40   6.358 -10.968   4.020
  278    H    ILE  41           H        ILE  41   5.019  -7.759   6.928
  279    HA   ILE  41           HA       ILE  41   3.511  -6.676   9.279
  280    HB   ILE  41           HB       ILE  41   3.813  -9.156   9.891
  281   1HG1  ILE  41          1HG1      ILE  41   5.461  -7.226  11.680
  282   2HG1  ILE  41          2HG1      ILE  41   3.709  -7.224  11.581
  283   1HG2  ILE  41          3HG2      ILE  41   6.113  -9.515   8.751
  284   2HG2  ILE  41          1HG2      ILE  41   6.873  -8.558  10.045
  285   3HG2  ILE  41          2HG2      ILE  41   6.059 -10.091  10.419
  286   1HD1  ILE  41          3HD1      ILE  41   3.615  -9.599  12.443
  287   2HD1  ILE  41          1HD1      ILE  41   5.389  -9.578  12.636
  288   3HD1  ILE  41          2HD1      ILE  41   4.378  -8.460  13.578
  289    H    MET  42           H        MET  42   4.475  -4.929   9.973
  290    HA   MET  42           HA       MET  42   7.473  -4.436   9.666
  291   1HB   MET  42          1HB       MET  42   6.404  -3.451   7.629
  292   2HB   MET  42          2HB       MET  42   5.272  -2.525   8.602
  293   1HG   MET  42          1HG       MET  42   7.137  -1.132   7.711
  294   2HG   MET  42          2HG       MET  42   7.128  -1.116   9.477
  295   1HE   MET  42          3HE       MET  42   9.664  -0.092   8.107
  296   2HE   MET  42          2HE       MET  42   9.620  -0.396   9.870
  297   3HE   MET  42          1HE       MET  42  10.981  -1.016   8.888
  298    H    GLU  43           H        GLU  43   7.309  -4.976  11.854
  299    HA   GLU  43           HA       GLU  43   7.496  -4.531  14.155
  300   1HB   GLU  43          1HB       GLU  43   8.798  -2.635  13.230
  301   2HB   GLU  43          2HB       GLU  43   7.375  -1.589  13.180
  302   1HG   GLU  43          1HG       GLU  43   7.261  -1.738  15.733
  303   2HG   GLU  43          2HG       GLU  43   8.714  -2.734  15.719
  304    HE2  GLU  43           HE2      GLU  43  10.900  -0.116  15.182
  305    H    GLY  44           H        GLY  44   6.186  -4.792  15.583
  306   1HA   GLY  44          1HA       GLY  44   4.359  -4.702  17.150
  307   2HA   GLY  44          2HA       GLY  44   4.285  -3.017  16.695
  308    H    LEU  45           H        LEU  45   3.017  -6.231  15.934
  309    HA   LEU  45           HA       LEU  45   0.775  -5.096  14.223
  310   1HB   LEU  45          1HB       LEU  45   2.125  -7.134  13.528
  311   2HB   LEU  45          2HB       LEU  45   1.523  -8.003  14.926
  312    HG   LEU  45           HG       LEU  45  -0.849  -7.745  14.007
  313   1HD1  LEU  45          3HD1      LEU  45   0.562  -6.664  11.471
  314   2HD1  LEU  45          1HD1      LEU  45  -1.152  -7.141  11.581
  315   3HD1  LEU  45          2HD1      LEU  45  -0.563  -5.754  12.507
  316   1HD2  LEU  45          2HD2      LEU  45   0.473  -9.841  13.659
  317   2HD2  LEU  45          3HD2      LEU  45  -0.596  -9.521  12.280
  318   3HD2  LEU  45          1HD2      LEU  45   1.150  -9.187  12.147
  319    H    SER  46           H        SER  46  -0.726  -4.183  15.424
  320    HA   SER  46           HA       SER  46  -2.029  -5.705  17.781
  321   1HB   SER  46          1HB       SER  46  -2.872  -3.500  18.533
  322   2HB   SER  46          2HB       SER  46  -1.115  -3.522  18.476
  323    HG   SER  46           HG       SER  46  -1.247  -2.460  16.445
  324    H    PHE  47           H        PHE  47  -3.028  -7.016  16.165
  325    HA   PHE  47           HA       PHE  47  -4.817  -5.779  14.094
  326   1HB   PHE  47          1HB       PHE  47  -3.185  -7.783  13.789
  327   2HB   PHE  47          2HB       PHE  47  -4.263  -8.765  14.737
  328    HD1  PHE  47           HD2      PHE  47  -3.779  -6.965  11.517
  329    HD2  PHE  47           HD1      PHE  47  -6.463  -9.505  13.726
  330    HE1  PHE  47           HE2      PHE  47  -5.029  -7.454   9.456
  331    HE2  PHE  47           HE1      PHE  47  -7.698  -9.984  11.653
  332    HZ   PHE  47           HZ       PHE  47  -6.988  -8.962   9.517
  333    H    ALA  48           H        ALA  48  -5.492  -8.376  16.458
  334    HA   ALA  48           HA       ALA  48  -8.458  -7.652  16.446
  335   1HB   ALA  48          1HB       ALA  48  -6.967 -10.037  17.763
  336   2HB   ALA  48          2HB       ALA  48  -8.732  -9.818  17.683
  337   3HB   ALA  48          3HB       ALA  48  -7.806 -10.063  16.191
  338    HXT  ALA  48           HO       ALA  48  -6.680  -7.351  20.126
   
  No H/Q in entry =         338
  Start of MODEL           8
 Raw file had  348 H/Q atoms
  Start of MODEL    8
    1   1H    GLU   1          1H        GLU   1   6.600  12.306   1.705
    2   2H    GLU   1          2H        GLU   1   7.288  10.822   1.470
    3   3H    GLU   1          3H        GLU   1   5.652  11.006   1.329
    4    HA   GLU   1           HA       GLU   1   5.428  11.545   3.688
    5   1HB   GLU   1          1HB       GLU   1   5.942   9.287   4.586
    6   2HB   GLU   1          2HB       GLU   1   5.102   9.220   3.061
    7   1HG   GLU   1          1HG       GLU   1   7.268   8.584   1.887
    8   2HG   GLU   1          2HG       GLU   1   8.118   8.640   3.428
    9    HE1  GLU   1           HE2      GLU   1   6.821   5.694   4.687
   10    H    ASP   2           H        ASP   2   6.396  12.693   5.156
   11    HA   ASP   2           HA       ASP   2   9.463  12.840   5.339
   12   1HB   ASP   2          1HB       ASP   2   8.147  14.937   4.701
   13   2HB   ASP   2          2HB       ASP   2   7.332  14.893   6.253
   14    HD1  ASP   2           HD2      ASP   2  10.331  15.082   4.662
   15    H    ASN   3           H        ASN   3  10.200  11.626   6.907
   16    HA   ASN   3           HA       ASN   3  10.663  10.595   8.998
   17   1HB   ASN   3          1HB       ASN   3   8.489  12.276  10.162
   18   2HB   ASN   3          2HB       ASN   3   9.646  11.401  11.123
   19   1HD2  ASN   3          1HD2      ASN   3  12.284  13.909  10.702
   20   2HD2  ASN   3          2HD2      ASN   3  11.991  12.105  10.872
   21    H    CYS   4           H        CYS   4   9.738   9.309   7.875
   22    HA   CYS   4           HA       CYS   4   7.309   8.113   7.200
   23   1HB   CYS   4          1HB       CYS   4   8.208   6.079   6.992
   24   2HB   CYS   4          2HB       CYS   4   9.317   7.069   6.247
   25    H    ILE   5           H        ILE   5   6.322   5.993   7.703
   26    HA   ILE   5           HA       ILE   5   5.669   5.876  10.747
   27    HB   ILE   5           HB       ILE   5   3.544   4.868   8.762
   28   1HG1  ILE   5          1HG1      ILE   5   3.496   7.623  10.039
   29   2HG1  ILE   5          2HG1      ILE   5   4.105   7.418   8.419
   30   1HG2  ILE   5          1HG2      ILE   5   3.472   4.043  11.108
   31   2HG2  ILE   5          2HG2      ILE   5   3.426   5.711  11.725
   32   3HG2  ILE   5          3HG2      ILE   5   2.094   5.058  10.746
   33   1HD1  ILE   5          3HD1      ILE   5   1.348   6.423   9.192
   34   2HD1  ILE   5          1HD1      ILE   5   1.687   7.990   8.421
   35   3HD1  ILE   5          2HD1      ILE   5   2.026   6.466   7.565
   36    H    ALA   6           H        ALA   6   7.058   4.193  11.214
   37    HA   ALA   6           HA       ALA   6   7.423   1.901   9.256
   38   1HB   ALA   6          2HB       ALA   6   9.412   2.889  10.529
   39   2HB   ALA   6          3HB       ALA   6   8.700   2.370  12.083
   40   3HB   ALA   6          1HB       ALA   6   9.246   1.163  10.893
   41    H    GLU   7           H        GLU   7   5.088   2.387  11.100
   42    HA   GLU   7           HA       GLU   7   4.697  -0.191  12.661
   43   1HB   GLU   7          1HB       GLU   7   3.178   2.469  12.610
   44   2HB   GLU   7          2HB       GLU   7   2.786   1.157  13.693
   45   1HG   GLU   7          1HG       GLU   7   5.002   1.293  14.818
   46   2HG   GLU   7          2HG       GLU   7   5.511   2.591  13.741
   47    HE1  GLU   7           HE2      GLU   7   3.606   5.081  15.210
   48    H    ASP   8           H        ASP   8   2.727  -1.074  13.022
   49    HA   ASP   8           HA       ASP   8   0.773  -1.314  10.625
   50   1HB   ASP   8          1HB       ASP   8   0.917  -3.394  12.810
   51   2HB   ASP   8          2HB       ASP   8   0.016  -3.421  11.312
   52    HD1  ASP   8           HD2      ASP   8   1.120  -3.327   9.389
   53    H    TYR   9           H        TYR   9  -0.806  -0.477  11.183
   54    HA   TYR   9           HA       TYR   9  -2.298   1.259  12.047
   55   1HB   TYR   9          1HB       TYR   9  -2.345  -0.815  14.368
   56   2HB   TYR   9          2HB       TYR   9  -3.402   0.570  14.304
   57    HD1  TYR   9           HD2      TYR   9  -4.499   0.887  11.640
   58    HD2  TYR   9           HD1      TYR   9  -3.399  -2.798  13.541
   59    HE1  TYR   9           HE2      TYR   9  -6.056  -0.310  10.209
   60    HE2  TYR   9           HE1      TYR   9  -5.060  -3.983  12.181
   61    HH   TYR   9           HH       TYR   9  -6.961  -2.274   9.699
   62    H    GLY  10           H        GLY  10   0.189   1.976  12.109
   63   1HA   GLY  10          1HA       GLY  10   1.116   3.583  14.485
   64   2HA   GLY  10          2HA       GLY  10   1.496   3.854  12.829
   65    H    LYS  11           H        LYS  11   1.292   6.017  13.613
   66    HA   LYS  11           HA       LYS  11  -1.593   7.122  13.239
   67   1HB   LYS  11          1HB       LYS  11   0.810   8.929  13.755
   68   2HB   LYS  11          2HB       LYS  11  -0.872   9.341  13.788
   69   1HG   LYS  11          1HG       LYS  11  -1.260   7.890  15.820
   70   2HG   LYS  11          2HG       LYS  11   0.466   7.530  15.887
   71   1HD   LYS  11          1HD       LYS  11   0.984   9.981  16.147
   72   2HD   LYS  11          2HD       LYS  11  -0.725  10.382  16.079
   73   1HE   LYS  11          1HE       LYS  11   0.568   8.583  18.251
   74   2HE   LYS  11          2HE       LYS  11   0.293  10.314  18.421
   75   1HZ   LYS  11          1HZ       LYS  11  -1.851   8.316  17.977
   76   2HZ   LYS  11          2HZ       LYS  11  -2.085   9.925  18.136
   77    H    CYS  12           H        CYS  12  -2.009   8.133  11.467
   78    HA   CYS  12           HA       CYS  12  -0.012   8.975   9.360
   79   1HB   CYS  12          1HB       CYS  12  -0.701   7.570   7.527
   80   2HB   CYS  12          2HB       CYS  12  -0.676   6.415   8.839
   81    H    THR  13           H        THR  13  -1.133   9.674   7.366
   82    HA   THR  13           HA       THR  13  -4.003  10.560   7.682
   83    HB   THR  13           HB       THR  13  -3.930  12.812   7.702
   84    HG1  THR  13           HG1      THR  13  -1.483  12.837   6.273
   85   1HG2  THR  13          2HG2      THR  13  -2.248  12.509   9.643
   86   2HG2  THR  13          3HG2      THR  13  -0.901  12.628   8.475
   87   3HG2  THR  13          1HG2      THR  13  -1.950  14.028   8.768
   88    H    TRP  14           H        TRP  14  -4.891  11.001   5.790
   89    HA   TRP  14           HA       TRP  14  -3.587   9.922   3.216
   90   1HB   TRP  14          1HB       TRP  14  -6.491  10.812   3.751
   91   2HB   TRP  14          2HB       TRP  14  -5.873  10.295   2.197
   92    HD1  TRP  14           HD1      TRP  14  -4.226   7.740   4.436
   93    HE1  TRP  14           HE1      TRP  14  -5.630   5.557   4.670
   94    HE3  TRP  14           HE3      TRP  14  -8.639   9.636   2.604
   95    HZ2  TRP  14           HZ2      TRP  14  -8.332   4.865   4.089
   96    HZ3  TRP  14           HZ3      TRP  14 -10.606   8.142   2.496
   97    HH2  TRP  14           HH2      TRP  14 -10.455   5.795   3.225
   98    H    GLY  15           H        GLY  15  -2.228  11.371   2.590
   99   1HA   GLY  15          1HA       GLY  15  -1.548  13.482   1.421
  100   2HA   GLY  15          2HA       GLY  15  -2.916  14.333   2.140
  101    H    GLY  16           H        GLY  16  -0.103  12.420   3.077
  102   1HA   GLY  16          1HA       GLY  16   0.996  14.187   5.313
  103   2HA   GLY  16          2HA       GLY  16  -0.036  12.903   5.838
  104    H    THR  17           H        THR  17   1.663  12.155   6.820
  105    HA   THR  17           HA       THR  17   3.877  10.700   5.350
  106    HB   THR  17           HB       THR  17   3.198   9.659   8.167
  107    HG1  THR  17           HG1      THR  17   4.533  12.120   7.558
  108   1HG2  THR  17          2HG2      THR  17   5.145   8.778   6.736
  109   2HG2  THR  17          3HG2      THR  17   5.934  10.351   6.894
  110   3HG2  THR  17          1HG2      THR  17   5.569   9.359   8.327
  111    H    LYS  18           H        LYS  18   3.893   8.738   4.816
  112    HA   LYS  18           HA       LYS  18   1.573   6.722   5.104
  113   1HB   LYS  18          1HB       LYS  18   3.493   6.453   2.807
  114   2HB   LYS  18          2HB       LYS  18   1.941   5.773   3.023
  115   1HG   LYS  18          1HG       LYS  18   2.418   8.706   2.264
  116   2HG   LYS  18          2HG       LYS  18   1.928   7.425   1.179
  117   1HD   LYS  18          1HD       LYS  18   0.240   8.448   3.557
  118   2HD   LYS  18          2HD       LYS  18   0.069   8.981   1.892
  119   1HE   LYS  18          1HE       LYS  18  -0.553   6.631   1.169
  120   2HE   LYS  18          2HE       LYS  18  -0.385   6.066   2.836
  121   1HZ   LYS  18          1HZ       LYS  18  -2.132   7.576   3.496
  122   2HZ   LYS  18          2HZ       LYS  18  -2.655   6.557   2.331
  123    H    CYS  19           H        CYS  19   2.639   4.632   4.601
  124    HA   CYS  19           HA       CYS  19   4.335   4.293   7.087
  125   1HB   CYS  19          1HB       CYS  19   2.786   2.275   5.420
  126   2HB   CYS  19          2HB       CYS  19   3.912   1.767   6.730
  127    H    CYS  20           H        CYS  20   6.194   3.542   7.239
  128    HA   CYS  20           HA       CYS  20   8.086   4.680   5.843
  129   1HB   CYS  20          1HB       CYS  20   8.219   3.643   8.180
  130   2HB   CYS  20          2HB       CYS  20   8.854   2.161   7.471
  131    H    ARG  21           H        ARG  21   7.655   1.169   5.602
  132    HA   ARG  21           HA       ARG  21   9.900   0.877   3.536
  133   1HB   ARG  21          1HB       ARG  21   9.873  -1.533   4.154
  134   2HB   ARG  21          2HB       ARG  21   9.960  -0.561   5.592
  135   1HG   ARG  21          1HG       ARG  21   7.318  -0.953   5.782
  136   2HG   ARG  21          2HG       ARG  21   7.559  -2.159   4.533
  137   1HD   ARG  21          1HD       ARG  21   7.569  -3.340   6.614
  138   2HD   ARG  21          2HD       ARG  21   9.251  -3.349   6.070
  139   1HH1  ARG  21          2HH2      ARG  21   8.719  -4.436   8.361
  140   2HH1  ARG  21          1HH2      ARG  21   9.210  -4.113  10.100
  141   1HH2  ARG  21          1HH1      ARG  21   9.507  -0.712   9.605
  142   2HH2  ARG  21          2HH1      ARG  21   9.628  -2.134  10.759
  143    H    GLY  22           H        GLY  22   7.519   1.930   2.946
  144   1HA   GLY  22          1HA       GLY  22   6.299   2.238   0.747
  145   2HA   GLY  22          2HA       GLY  22   6.986   0.735   0.189
  146    H    ARG  23           H        ARG  23   4.974   1.821   2.704
  147    HA   ARG  23           HA       ARG  23   2.953  -0.469   2.304
  148   1HB   ARG  23          1HB       ARG  23   4.145   0.790   4.805
  149   2HB   ARG  23          2HB       ARG  23   2.702  -0.210   4.924
  150   1HG   ARG  23          1HG       ARG  23   5.519  -1.034   4.036
  151   2HG   ARG  23          2HG       ARG  23   4.829  -1.182   5.636
  152   1HD   ARG  23          1HD       ARG  23   4.700  -3.382   4.758
  153   2HD   ARG  23          2HD       ARG  23   3.046  -2.782   4.758
  154   1HH1  ARG  23          2HH2      ARG  23   1.769  -3.814   3.601
  155   2HH1  ARG  23          1HH2      ARG  23   1.255  -4.358   1.925
  156   1HH2  ARG  23          1HH1      ARG  23   4.177  -3.275   0.448
  157   2HH2  ARG  23          2HH1      ARG  23   2.535  -4.071   0.253
  158    HA   PRO  24           HA       PRO  24  -0.247   2.811   2.348
  159   1HB   PRO  24          1HB       PRO  24  -2.531   1.246   2.361
  160   2HB   PRO  24          2HB       PRO  24  -1.405   1.258   0.998
  161   1HG   PRO  24          1HG       PRO  24  -1.548  -0.782   3.276
  162   2HG   PRO  24          2HG       PRO  24  -1.500  -1.105   1.526
  163   1HD   PRO  24          1HD       PRO  24   0.788  -1.168   3.103
  164   2HD   PRO  24          2HD       PRO  24   0.839  -0.649   1.394
  165    H    CYS  25           H        CYS  25  -2.273   3.371   3.479
  166    HA   CYS  25           HA       CYS  25  -2.043   3.032   6.515
  167   1HB   CYS  25          1HB       CYS  25  -1.131   5.051   6.612
  168   2HB   CYS  25          2HB       CYS  25  -1.457   5.427   4.914
  169    H    ARG  26           H        ARG  26  -3.867   2.748   7.473
  170    HA   ARG  26           HA       ARG  26  -6.515   2.703   5.918
  171   1HB   ARG  26          1HB       ARG  26  -5.475   0.635   7.965
  172   2HB   ARG  26          2HB       ARG  26  -7.144   0.743   7.429
  173   1HG   ARG  26          1HG       ARG  26  -6.452   0.253   5.053
  174   2HG   ARG  26          2HG       ARG  26  -4.769   0.185   5.559
  175   1HD   ARG  26          1HD       ARG  26  -5.531  -2.093   5.405
  176   2HD   ARG  26          2HD       ARG  26  -5.289  -1.738   7.121
  177   1HH1  ARG  26          2HH2      ARG  26  -5.895  -4.024   6.639
  178   2HH1  ARG  26          1HH2      ARG  26  -7.298  -5.128   7.065
  179   1HH2  ARG  26          1HH1      ARG  26  -9.609  -2.578   7.033
  180   2HH2  ARG  26          2HH1      ARG  26  -9.256  -4.363   7.272
  181    H    CYS  27           H        CYS  27  -7.910   4.081   6.926
  182    HA   CYS  27           HA       CYS  27  -6.959   5.519   9.195
  183   1HB   CYS  27          1HB       CYS  27  -9.816   5.627   8.064
  184   2HB   CYS  27          2HB       CYS  27  -9.133   6.822   9.111
  185    H    SER  28           H        SER  28  -8.405   6.078  11.090
  186    HA   SER  28           HA       SER  28  -9.027   3.829  12.916
  187   1HB   SER  28          1HB       SER  28  -8.320   6.408  13.362
  188   2HB   SER  28          2HB       SER  28 -10.065   6.708  13.288
  189    HG   SER  28           HG       SER  28  -9.306   6.266  15.351
  190    H    MET  29           H        MET  29 -11.133   4.492  14.177
  191    HA   MET  29           HA       MET  29 -13.226   2.790  12.834
  192   1HB   MET  29          1HB       MET  29 -13.121   4.204  15.602
  193   2HB   MET  29          2HB       MET  29 -14.514   3.297  15.070
  194   1HG   MET  29          1HG       MET  29 -13.097   1.196  14.830
  195   2HG   MET  29          2HG       MET  29 -11.696   2.108  15.416
  196   1HE   MET  29          2HE       MET  29 -14.764  -0.002  16.388
  197   2HE   MET  29          1HE       MET  29 -15.310   0.669  17.953
  198   3HE   MET  29          3HE       MET  29 -15.609   1.577  16.443
  199    H    ILE  30           H        ILE  30 -13.022   6.200  13.660
  200    HA   ILE  30           HA       ILE  30 -15.869   6.854  12.788
  201    HB   ILE  30           HB       ILE  30 -13.495   8.707  13.589
  202   1HG1  ILE  30          1HG1      ILE  30 -16.111   8.098  15.157
  203   2HG1  ILE  30          2HG1      ILE  30 -14.621   7.232  15.452
  204   1HG2  ILE  30          2HG2      ILE  30 -16.477   9.435  13.032
  205   2HG2  ILE  30          3HG2      ILE  30 -15.245  10.560  13.657
  206   3HG2  ILE  30          1HG2      ILE  30 -15.089   9.916  12.028
  207   1HD1  ILE  30          2HD1      ILE  30 -13.429   9.358  16.088
  208   2HD1  ILE  30          3HD1      ILE  30 -14.962  10.253  15.902
  209   3HD1  ILE  30          1HD1      ILE  30 -14.820   8.978  17.129
  210    H    GLY  31           H        GLY  31 -12.610   7.757  11.668
  211   1HA   GLY  31          1HA       GLY  31 -12.607   7.266   8.881
  212   2HA   GLY  31          2HA       GLY  31 -13.691   8.652   8.981
  213    H    THR  32           H        THR  32 -12.552  10.170  10.889
  214    HA   THR  32           HA       THR  32 -10.015  11.256   9.579
  215    HB   THR  32           HB       THR  32 -10.218  13.133  11.251
  216    HG1  THR  32           HG1      THR  32 -12.687  11.841  11.867
  217   1HG2  THR  32          3HG2      THR  32 -11.347  13.378   8.987
  218   2HG2  THR  32          1HG2      THR  32 -12.852  12.695   9.657
  219   3HG2  THR  32          2HG2      THR  32 -12.232  14.249  10.260
  220    H    ASN  33           H        ASN  33  -8.196  11.665  10.804
  221    HA   ASN  33           HA       ASN  33  -6.377  11.272  12.267
  222   1HB   ASN  33          1HB       ASN  33  -8.313  11.369  14.190
  223   2HB   ASN  33          2HB       ASN  33  -8.186   9.652  14.211
  224   1HD2  ASN  33          1HD2      ASN  33  -5.206  11.831  15.984
  225   2HD2  ASN  33          2HD2      ASN  33  -6.562  12.619  15.031
  226    H    CYS  34           H        CYS  34  -6.385   9.938  10.152
  227    HA   CYS  34           HA       CYS  34  -6.917   7.141  10.153
  228   1HB   CYS  34          1HB       CYS  34  -4.912   8.585   8.385
  229   2HB   CYS  34          2HB       CYS  34  -5.523   6.986   8.057
  230    H    GLU  35           H        GLU  35  -5.277   5.366   9.694
  231    HA   GLU  35           HA       GLU  35  -2.769   5.573  11.473
  232   1HB   GLU  35          1HB       GLU  35  -4.547   3.062  11.423
  233   2HB   GLU  35          2HB       GLU  35  -3.250   3.342  12.476
  234   1HG   GLU  35          1HG       GLU  35  -4.396   5.136  13.738
  235   2HG   GLU  35          2HG       GLU  35  -5.834   4.974  12.732
  236    HE1  GLU  35           HE2      GLU  35  -6.925   1.981  14.105
  237    H    CYS  36           H        CYS  36  -1.808   3.115  11.248
  238    HA   CYS  36           HA       CYS  36  -0.900   2.934   8.284
  239   1HB   CYS  36          1HB       CYS  36   1.031   2.884  10.217
  240   2HB   CYS  36          2HB       CYS  36   0.393   1.270  10.530
  241    H    THR  37           H        THR  37  -0.457   0.700   7.615
  242    HA   THR  37           HA       THR  37  -2.255  -1.236   6.992
  243    HB   THR  37           HB       THR  37  -0.161  -2.945   7.459
  244    HG1  THR  37           HG1      THR  37   0.982  -0.446   8.104
  245   1HG2  THR  37          1HG2      THR  37  -0.743  -1.612   5.313
  246   2HG2  THR  37          2HG2      THR  37   0.415  -0.382   5.896
  247   3HG2  THR  37          3HG2      THR  37   0.983  -2.034   5.539
  248    HA   PRO  38           HA       PRO  38  -3.648  -4.075  10.318
  249   1HB   PRO  38          1HB       PRO  38  -3.824  -6.481   8.986
  250   2HB   PRO  38          2HB       PRO  38  -4.905  -5.123   8.642
  251   1HG   PRO  38          1HG       PRO  38  -2.377  -5.932   7.107
  252   2HG   PRO  38          2HG       PRO  38  -3.980  -5.537   6.438
  253   1HD   PRO  38          1HD       PRO  38  -1.870  -3.658   6.654
  254   2HD   PRO  38          2HD       PRO  38  -3.592  -3.187   6.664
  255    H    ARG  39           H        ARG  39  -2.916  -5.566  11.770
  256    HA   ARG  39           HA       ARG  39  -0.009  -5.609  12.209
  257   1HB   ARG  39          1HB       ARG  39  -2.194  -7.265  13.646
  258   2HB   ARG  39          2HB       ARG  39  -0.553  -7.010  14.212
  259   1HG   ARG  39          1HG       ARG  39  -1.013  -4.494  14.323
  260   2HG   ARG  39          2HG       ARG  39  -2.687  -4.822  13.902
  261   1HD   ARG  39          1HD       ARG  39  -1.247  -5.833  16.427
  262   2HD   ARG  39          2HD       ARG  39  -2.339  -4.460  16.348
  263   1HH1  ARG  39          2HH2      ARG  39  -2.055  -6.214  18.337
  264   2HH1  ARG  39          1HH2      ARG  39  -3.245  -7.284  19.235
  265   1HH2  ARG  39          1HH1      ARG  39  -5.273  -7.717  16.486
  266   2HH2  ARG  39          2HH1      ARG  39  -4.943  -8.077  18.254
  267    H    LEU  40           H        LEU  40   1.396  -7.333  12.400
  268    HA   LEU  40           HA       LEU  40   1.574  -8.963  10.051
  269   1HB   LEU  40          1HB       LEU  40   3.564  -9.938  11.027
  270   2HB   LEU  40          2HB       LEU  40   3.567  -8.237  11.344
  271    HG   LEU  40           HG       LEU  40   2.702 -10.233  13.532
  272   1HD1  LEU  40          2HD1      LEU  40   4.919 -10.998  12.706
  273   2HD1  LEU  40          3HD1      LEU  40   5.598  -9.366  12.933
  274   3HD1  LEU  40          1HD1      LEU  40   5.048 -10.318  14.335
  275   1HD2  LEU  40          3HD2      LEU  40   3.945  -7.401  13.728
  276   2HD2  LEU  40          1HD2      LEU  40   2.258  -7.825  14.104
  277   3HD2  LEU  40          2HD2      LEU  40   3.563  -8.460  15.108
  278    H    ILE  41           H        ILE  41   1.564 -11.098   9.643
  279    HA   ILE  41           HA       ILE  41   0.513 -13.235   9.435
  280    HB   ILE  41           HB       ILE  41  -0.911 -12.825  12.197
  281   1HG1  ILE  41          1HG1      ILE  41   1.488 -13.057  12.675
  282   2HG1  ILE  41          2HG1      ILE  41   0.642 -14.504  13.118
  283   1HG2  ILE  41          2HG2      ILE  41  -0.682 -15.289  10.323
  284   2HG2  ILE  41          3HG2      ILE  41  -1.366 -15.312  11.967
  285   3HG2  ILE  41          1HG2      ILE  41  -2.157 -14.371  10.703
  286   1HD1  ILE  41          1HD1      ILE  41   1.561 -15.685  11.048
  287   2HD1  ILE  41          2HD1      ILE  41   2.440 -14.191  10.622
  288   3HD1  ILE  41          3HD1      ILE  41   2.832 -15.060  12.122
  289    H    MET  42           H        MET  42  -1.219 -13.316   8.108
  290    HA   MET  42           HA       MET  42  -2.612 -10.939   7.309
  291   1HB   MET  42          1HB       MET  42  -2.134 -13.085   5.942
  292   2HB   MET  42          2HB       MET  42  -3.474 -13.881   6.755
  293   1HG   MET  42          1HG       MET  42  -5.067 -12.190   5.734
  294   2HG   MET  42          2HG       MET  42  -3.689 -11.343   4.994
  295   1HE   MET  42          2HE       MET  42  -4.709 -11.583   2.567
  296   2HE   MET  42          1HE       MET  42  -5.271 -13.130   1.867
  297   3HE   MET  42          3HE       MET  42  -6.148 -12.405   3.247
  298    H    GLU  43           H        GLU  43  -4.455 -10.022   7.729
  299    HA   GLU  43           HA       GLU  43  -6.388  -9.264   8.877
  300   1HB   GLU  43          1HB       GLU  43  -7.314 -11.681   8.716
  301   2HB   GLU  43          2HB       GLU  43  -6.625 -12.027  10.302
  302   1HG   GLU  43          1HG       GLU  43  -8.082 -10.171  11.279
  303   2HG   GLU  43          2HG       GLU  43  -8.756  -9.874   9.680
  304    HE1  GLU  43           HE2      GLU  43 -10.739 -12.737   9.619
  305    H    GLY  44           H        GLY  44  -6.592  -8.256  10.804
  306   1HA   GLY  44          1HA       GLY  44  -4.175  -7.555  12.247
  307   2HA   GLY  44          2HA       GLY  44  -5.783  -7.076  12.733
  308    H    LEU  45           H        LEU  45  -3.166  -9.051  13.429
  309    HA   LEU  45           HA       LEU  45  -4.541 -10.572  15.708
  310   1HB   LEU  45          1HB       LEU  45  -4.550 -11.799  13.472
  311   2HB   LEU  45          2HB       LEU  45  -2.805 -11.805  13.435
  312    HG   LEU  45           HG       LEU  45  -4.434 -13.106  15.716
  313   1HD1  LEU  45          1HD1      LEU  45  -5.212 -14.088  13.560
  314   2HD1  LEU  45          2HD1      LEU  45  -3.536 -14.444  13.079
  315   3HD1  LEU  45          3HD1      LEU  45  -4.268 -15.279  14.473
  316   1HD2  LEU  45          1HD2      LEU  45  -1.542 -13.630  14.730
  317   2HD2  LEU  45          2HD2      LEU  45  -2.015 -12.920  16.292
  318   3HD2  LEU  45          3HD2      LEU  45  -2.392 -14.607  15.952
  319    H    SER  46           H        SER  46  -1.372 -10.158  14.139
  320    HA   SER  46           HA       SER  46   0.817  -9.666  14.928
  321   1HB   SER  46          1HB       SER  46  -0.397  -7.852  16.335
  322   2HB   SER  46          2HB       SER  46  -0.413  -8.960  17.701
  323    HG   SER  46           HG       SER  46   1.879  -9.117  17.438
  324    H    PHE  47           H        PHE  47   1.654 -11.611  14.815
  325    HA   PHE  47           HA       PHE  47   2.842 -13.559  15.442
  326   1HB   PHE  47          1HB       PHE  47   2.363 -12.575  18.360
  327   2HB   PHE  47          2HB       PHE  47   3.440 -13.854  17.899
  328    HD1  PHE  47           HD1      PHE  47   5.544 -13.359  16.522
  329    HD2  PHE  47           HD2      PHE  47   3.078 -10.220  18.129
  330    HE1  PHE  47           HE1      PHE  47   7.397 -11.758  16.267
  331    HE2  PHE  47           HE2      PHE  47   4.935  -8.631  17.852
  332    HZ   PHE  47           HZ       PHE  47   7.097  -9.395  16.928
  333    H    ALA  48           H        ALA  48   1.769 -15.327  14.937
  334    HA   ALA  48           HA       ALA  48  -0.626 -16.326  16.586
  335   1HB   ALA  48          3HB       ALA  48   0.360 -17.141  13.759
  336   2HB   ALA  48          1HB       ALA  48  -1.069 -17.794  14.597
  337   3HB   ALA  48          2HB       ALA  48  -1.024 -16.085  14.139
  338    HXT  ALA  48           HO       ALA  48   2.451 -18.968  16.029
   
  No H/Q in entry =         338
  Start of MODEL           9
 Raw file had  348 H/Q atoms
  Start of MODEL    9
    1   1H    GLU   1          2H        GLU   1  15.514   6.657   4.069
    2   2H    GLU   1          3H        GLU   1  14.063   5.867   4.052
    3   3H    GLU   1          1H        GLU   1  14.613   6.616   2.685
    4    HA   GLU   1           HA       GLU   1  14.441   8.806   3.711
    5   1HB   GLU   1          1HB       GLU   1  11.969   8.945   3.798
    6   2HB   GLU   1          2HB       GLU   1  12.506   8.011   2.425
    7   1HG   GLU   1          1HG       GLU   1  11.857   5.857   3.650
    8   2HG   GLU   1          2HG       GLU   1  11.286   6.821   5.002
    9    HE2  GLU   1           HE2      GLU   1   9.024   6.254   1.779
   10    H    ASP   2           H        ASP   2  14.592   9.892   5.531
   11    HA   ASP   2           HA       ASP   2  14.039   8.546   8.265
   12   1HB   ASP   2          1HB       ASP   2  15.651  10.108   9.201
   13   2HB   ASP   2          2HB       ASP   2  16.390   9.178   7.929
   14    HD2  ASP   2           HD2      ASP   2  17.709  10.969   8.727
   15    H    ASN   3           H        ASN   3  11.746   9.073   7.464
   16    HA   ASN   3           HA       ASN   3  10.530  10.724   9.257
   17   1HB   ASN   3          1HB       ASN   3   9.412  12.468   8.028
   18   2HB   ASN   3          2HB       ASN   3  11.073  12.866   8.356
   19   1HD2  ASN   3          1HD2      ASN   3  11.946  13.284   4.850
   20   2HD2  ASN   3          2HD2      ASN   3  12.593  12.949   6.533
   21    H    CYS   4           H        CYS   4   9.671   8.923   9.119
   22    HA   CYS   4           HA       CYS   4   7.420   8.164   7.123
   23   1HB   CYS   4          1HB       CYS   4   8.189   6.045   6.982
   24   2HB   CYS   4          2HB       CYS   4   9.301   7.026   6.161
   25    H    ILE   5           H        ILE   5   6.444   6.020   7.733
   26    HA   ILE   5           HA       ILE   5   5.808   6.007  10.796
   27    HB   ILE   5           HB       ILE   5   3.742   4.967   8.753
   28   1HG1  ILE   5          1HG1      ILE   5   3.781   7.610  10.218
   29   2HG1  ILE   5          2HG1      ILE   5   4.122   7.453   8.519
   30   1HG2  ILE   5          2HG2      ILE   5   3.669   3.946  11.104
   31   2HG2  ILE   5          3HG2      ILE   5   3.396   5.586  11.757
   32   3HG2  ILE   5          1HG2      ILE   5   2.239   4.830  10.655
   33   1HD1  ILE   5          2HD1      ILE   5   1.891   6.514   8.019
   34   2HD1  ILE   5          3HD1      ILE   5   1.452   6.671   9.735
   35   3HD1  ILE   5          1HD1      ILE   5   1.814   8.122   8.781
   36    H    ALA   6           H        ALA   6   7.193   4.389  11.403
   37    HA   ALA   6           HA       ALA   6   7.852   2.163   9.451
   38   1HB   ALA   6          2HB       ALA   6   9.660   3.250  10.926
   39   2HB   ALA   6          3HB       ALA   6   8.844   2.638  12.394
   40   3HB   ALA   6          1HB       ALA   6   9.572   1.506  11.228
   41    H    GLU   7           H        GLU   7   5.336   2.473  11.128
   42    HA   GLU   7           HA       GLU   7   4.904  -0.435  11.988
   43   1HB   GLU   7          1HB       GLU   7   4.205   2.250  13.372
   44   2HB   GLU   7          2HB       GLU   7   3.327   0.837  13.837
   45   1HG   GLU   7          1HG       GLU   7   6.365   1.169  14.120
   46   2HG   GLU   7          2HG       GLU   7   5.176   1.325  15.397
   47    HE1  GLU   7           HE2      GLU   7   4.636  -2.080  15.843
   48    H    ASP   8           H        ASP   8   3.312  -1.524  11.912
   49    HA   ASP   8           HA       ASP   8   0.904  -0.994  10.154
   50   1HB   ASP   8          1HB       ASP   8   1.162  -3.220  12.175
   51   2HB   ASP   8          2HB       ASP   8   0.087  -3.107  10.809
   52    HD2  ASP   8           HD2      ASP   8   3.233  -3.712  11.737
   53    H    TYR   9           H        TYR   9  -0.740  -0.253  10.933
   54    HA   TYR   9           HA       TYR   9  -2.226   1.297  12.098
   55   1HB   TYR   9          1HB       TYR   9  -1.602  -0.664  14.446
   56   2HB   TYR   9          2HB       TYR   9  -2.878   0.517  14.464
   57    HD1  TYR   9           HD2      TYR   9  -4.387   0.467  12.031
   58    HD2  TYR   9           HD1      TYR   9  -2.332  -2.874  13.799
   59    HE1  TYR   9           HE2      TYR   9  -5.973  -1.063  10.996
   60    HE2  TYR   9           HE1      TYR   9  -3.990  -4.387  12.830
   61    HH   TYR   9           HH       TYR   9  -6.674  -3.167  10.830
   62    H    GLY  10           H        GLY  10   0.742   1.927  12.175
   63   1HA   GLY  10          1HA       GLY  10   1.059   3.784  14.540
   64   2HA   GLY  10          2HA       GLY  10   2.066   3.855  13.178
   65    H    LYS  11           H        LYS  11   0.903   5.878  14.303
   66    HA   LYS  11           HA       LYS  11  -1.683   6.709  12.996
   67   1HB   LYS  11          1HB       LYS  11  -1.000   7.612  15.191
   68   2HB   LYS  11          2HB       LYS  11   0.206   8.669  14.411
   69   1HG   LYS  11          1HG       LYS  11  -1.697   9.859  13.232
   70   2HG   LYS  11          2HG       LYS  11  -2.838   8.707  13.905
   71   1HD   LYS  11          1HD       LYS  11  -3.059  10.697  15.183
   72   2HD   LYS  11          2HD       LYS  11  -2.304   9.512  16.241
   73   1HE   LYS  11          1HE       LYS  11  -0.035  10.606  15.840
   74   2HE   LYS  11          2HE       LYS  11  -0.786  11.761  14.729
   75   1HZ   LYS  11          1HZ       LYS  11  -1.485  11.460  17.599
   76   2HZ   LYS  11          2HZ       LYS  11  -2.169  12.533  16.573
   77    H    CYS  12           H        CYS  12  -1.979   7.814  11.589
   78    HA   CYS  12           HA       CYS  12   0.006   8.921   9.483
   79   1HB   CYS  12          1HB       CYS  12  -0.679   7.435   7.712
   80   2HB   CYS  12          2HB       CYS  12  -0.552   6.350   9.070
   81    H    THR  13           H        THR  13  -1.198   9.479   7.474
   82    HA   THR  13           HA       THR  13  -3.983  10.618   7.875
   83    HB   THR  13           HB       THR  13  -2.586  12.726   6.412
   84    HG1  THR  13           HG1      THR  13  -1.465  12.219   8.998
   85   1HG2  THR  13          2HG2      THR  13  -4.596  13.128   7.764
   86   2HG2  THR  13          3HG2      THR  13  -3.656  12.848   9.279
   87   3HG2  THR  13          1HG2      THR  13  -3.270  14.228   8.210
   88    H    TRP  14           H        TRP  14  -4.923  11.165   6.029
   89    HA   TRP  14           HA       TRP  14  -3.999   9.820   3.395
   90   1HB   TRP  14          1HB       TRP  14  -6.824  10.765   4.183
   91   2HB   TRP  14          2HB       TRP  14  -6.353  10.272   2.570
   92    HD1  TRP  14           HD1      TRP  14  -4.598   7.677   4.750
   93    HE1  TRP  14           HE1      TRP  14  -6.028   5.521   5.045
   94    HE3  TRP  14           HE3      TRP  14  -9.032   9.594   2.973
   95    HZ2  TRP  14           HZ2      TRP  14  -8.735   4.837   4.504
   96    HZ3  TRP  14           HZ3      TRP  14 -11.008   8.107   2.898
   97    HH2  TRP  14           HH2      TRP  14 -10.860   5.766   3.650
   98    H    GLY  15           H        GLY  15  -2.624  11.267   2.756
   99   1HA   GLY  15          1HA       GLY  15  -1.882  13.391   1.653
  100   2HA   GLY  15          2HA       GLY  15  -3.266  14.252   2.361
  101    H    GLY  16           H        GLY  16  -0.443  12.325   3.217
  102   1HA   GLY  16          1HA       GLY  16   0.238  13.786   5.881
  103   2HA   GLY  16          2HA       GLY  16  -0.487  12.245   5.867
  104    H    THR  17           H        THR  17   1.316  11.767   7.015
  105    HA   THR  17           HA       THR  17   3.597  10.587   5.337
  106    HB   THR  17           HB       THR  17   3.268   9.664   8.260
  107    HG1  THR  17           HG1      THR  17   4.466  12.097   7.344
  108   1HG2  THR  17          2HG2      THR  17   5.094   8.654   6.827
  109   2HG2  THR  17          3HG2      THR  17   5.785  10.248   6.521
  110   3HG2  THR  17          1HG2      THR  17   5.754   9.576   8.166
  111    H    LYS  18           H        LYS  18   3.715   8.482   4.955
  112    HA   LYS  18           HA       LYS  18   1.505   6.453   5.689
  113   1HB   LYS  18          1HB       LYS  18   2.956   6.112   3.069
  114   2HB   LYS  18          2HB       LYS  18   1.518   5.378   3.662
  115   1HG   LYS  18          1HG       LYS  18   0.195   7.522   3.421
  116   2HG   LYS  18          2HG       LYS  18   1.612   8.300   2.735
  117   1HD   LYS  18          1HD       LYS  18   0.203   7.696   0.911
  118   2HD   LYS  18          2HD       LYS  18   1.628   6.666   0.820
  119   1HE   LYS  18          1HE       LYS  18   0.332   4.742   1.798
  120   2HE   LYS  18          2HE       LYS  18  -1.091   5.769   2.025
  121   1HZ   LYS  18          1HZ       LYS  18  -1.220   4.441   0.025
  122   2HZ   LYS  18          2HZ       LYS  18   0.165   5.072  -0.574
  123    H    CYS  19           H        CYS  19   2.525   4.367   5.081
  124    HA   CYS  19           HA       CYS  19   4.602   4.194   7.221
  125   1HB   CYS  19          1HB       CYS  19   2.885   2.047   5.998
  126   2HB   CYS  19          2HB       CYS  19   4.406   1.514   6.743
  127    H    CYS  20           H        CYS  20   6.386   3.429   7.189
  128    HA   CYS  20           HA       CYS  20   8.128   4.689   5.763
  129   1HB   CYS  20          1HB       CYS  20   8.392   3.550   8.024
  130   2HB   CYS  20          2HB       CYS  20   9.050   2.120   7.232
  131    H    ARG  21           H        ARG  21   7.697   1.208   5.330
  132    HA   ARG  21           HA       ARG  21   9.761   1.015   3.069
  133   1HB   ARG  21          1HB       ARG  21   9.715  -0.591   5.193
  134   2HB   ARG  21          2HB       ARG  21   8.244  -1.290   4.527
  135   1HG   ARG  21          1HG       ARG  21   9.599  -2.031   2.484
  136   2HG   ARG  21          2HG       ARG  21  11.030  -1.272   3.179
  137   1HD   ARG  21          1HD       ARG  21  10.915  -2.839   5.165
  138   2HD   ARG  21          2HD       ARG  21   9.419  -3.535   4.546
  139   1HH1  ARG  21          2HH2      ARG  21  12.960  -2.991   4.723
  140   2HH1  ARG  21          1HH2      ARG  21  14.270  -4.012   3.943
  141   1HH2  ARG  21          1HH1      ARG  21  12.043  -5.703   1.923
  142   2HH2  ARG  21          2HH1      ARG  21  13.781  -5.452   2.455
  143    H    GLY  22           H        GLY  22   7.333   2.156   2.799
  144   1HA   GLY  22          1HA       GLY  22   5.800   2.610   0.855
  145   2HA   GLY  22          2HA       GLY  22   6.495   1.238   0.034
  146    H    ARG  23           H        ARG  23   4.777   1.797   2.928
  147    HA   ARG  23           HA       ARG  23   2.864  -0.553   2.440
  148   1HB   ARG  23          1HB       ARG  23   4.165   0.598   4.930
  149   2HB   ARG  23          2HB       ARG  23   2.834  -0.517   5.098
  150   1HG   ARG  23          1HG       ARG  23   5.591  -1.018   3.814
  151   2HG   ARG  23          2HG       ARG  23   5.116  -1.446   5.446
  152   1HD   ARG  23          1HD       ARG  23   3.395  -3.073   4.576
  153   2HD   ARG  23          2HD       ARG  23   3.797  -2.652   2.910
  154   1HH1  ARG  23          2HH2      ARG  23   5.519  -2.838   1.646
  155   2HH1  ARG  23          1HH2      ARG  23   6.941  -3.918   1.222
  156   1HH2  ARG  23          1HH1      ARG  23   7.000  -5.412   4.332
  157   2HH2  ARG  23          2HH1      ARG  23   7.727  -5.284   2.652
  158    HA   PRO  24           HA       PRO  24  -0.255   2.699   2.389
  159   1HB   PRO  24          1HB       PRO  24  -2.622   1.168   2.450
  160   2HB   PRO  24          2HB       PRO  24  -1.529   1.273   1.068
  161   1HG   PRO  24          1HG       PRO  24  -1.640  -0.912   3.193
  162   2HG   PRO  24          2HG       PRO  24  -1.577  -1.107   1.426
  163   1HD   PRO  24          1HD       PRO  24   0.705  -1.318   2.943
  164   2HD   PRO  24          2HD       PRO  24   0.763  -0.541   1.335
  165    H    CYS  25           H        CYS  25  -2.245   3.449   3.360
  166    HA   CYS  25           HA       CYS  25  -2.383   3.141   6.392
  167   1HB   CYS  25          1HB       CYS  25  -1.147   5.058   6.431
  168   2HB   CYS  25          2HB       CYS  25  -1.661   5.593   4.827
  169    H    ARG  26           H        ARG  26  -4.303   2.916   7.063
  170    HA   ARG  26           HA       ARG  26  -6.760   3.630   5.397
  171   1HB   ARG  26          1HB       ARG  26  -6.434   0.956   6.912
  172   2HB   ARG  26          2HB       ARG  26  -7.932   1.563   6.238
  173   1HG   ARG  26          1HG       ARG  26  -5.444   0.680   4.679
  174   2HG   ARG  26          2HG       ARG  26  -6.971  -0.165   4.788
  175   1HD   ARG  26          1HD       ARG  26  -6.465   2.509   3.335
  176   2HD   ARG  26          2HD       ARG  26  -6.661   0.933   2.580
  177   1HH1  ARG  26          2HH2      ARG  26  -7.412   3.135   1.496
  178   2HH1  ARG  26          1HH2      ARG  26  -9.015   3.781   0.880
  179   1HH2  ARG  26          1HH1      ARG  26 -10.861   2.071   3.232
  180   2HH2  ARG  26          2HH1      ARG  26 -10.835   3.217   1.799
  181    H    CYS  27           H        CYS  27  -8.122   4.794   6.658
  182    HA   CYS  27           HA       CYS  27  -7.023   5.718   9.109
  183   1HB   CYS  27          1HB       CYS  27  -9.886   6.282   8.094
  184   2HB   CYS  27          2HB       CYS  27  -9.072   7.221   9.301
  185    H    SER  28           H        SER  28  -8.297   6.072  11.122
  186    HA   SER  28           HA       SER  28  -9.326   3.733  12.600
  187   1HB   SER  28          1HB       SER  28  -9.400   6.821  13.032
  188   2HB   SER  28          2HB       SER  28 -10.029   5.724  14.234
  189    HG   SER  28           HG       SER  28  -7.408   5.665  13.208
  190    H    MET  29           H        MET  29 -11.425   4.095  13.842
  191    HA   MET  29           HA       MET  29 -13.574   3.207  12.002
  192   1HB   MET  29          1HB       MET  29 -13.413   3.769  15.057
  193   2HB   MET  29          2HB       MET  29 -14.918   3.336  14.302
  194   1HG   MET  29          1HG       MET  29 -13.936   1.166  13.458
  195   2HG   MET  29          2HG       MET  29 -12.395   1.567  14.252
  196   1HE   MET  29          2HE       MET  29 -12.632  -0.797  15.579
  197   2HE   MET  29          1HE       MET  29 -14.044  -1.211  16.596
  198   3HE   MET  29          3HE       MET  29 -14.227  -1.098  14.821
  199    H    ILE  30           H        ILE  30 -12.950   6.245  13.568
  200    HA   ILE  30           HA       ILE  30 -15.695   7.455  13.005
  201    HB   ILE  30           HB       ILE  30 -13.069   8.764  14.053
  202   1HG1  ILE  30          1HG1      ILE  30 -15.705   8.162  15.589
  203   2HG1  ILE  30          2HG1      ILE  30 -14.332   7.078  15.618
  204   1HG2  ILE  30          2HG2      ILE  30 -15.934   9.972  13.814
  205   2HG2  ILE  30          3HG2      ILE  30 -14.548  10.766  14.602
  206   3HG2  ILE  30          1HG2      ILE  30 -14.514  10.477  12.867
  207   1HD1  ILE  30          1HD1      ILE  30 -12.861   8.865  16.623
  208   2HD1  ILE  30          2HD1      ILE  30 -14.278   9.945  16.722
  209   3HD1  ILE  30          3HD1      ILE  30 -14.257   8.423  17.635
  210    H    GLY  31           H        GLY  31 -12.375   8.206  11.954
  211   1HA   GLY  31          1HA       GLY  31 -12.450   8.135   9.135
  212   2HA   GLY  31          2HA       GLY  31 -13.399   9.587   9.438
  213    H    THR  32           H        THR  32 -12.118  10.723  11.496
  214    HA   THR  32           HA       THR  32  -9.470  11.720  10.317
  215    HB   THR  32           HB       THR  32  -9.502  13.399  12.204
  216    HG1  THR  32           HG1      THR  32 -12.123  12.342  12.600
  217   1HG2  THR  32          3HG2      THR  32 -10.491  14.042   9.958
  218   2HG2  THR  32          1HG2      THR  32 -12.095  13.471  10.489
  219   3HG2  THR  32          2HG2      THR  32 -11.328  14.859  11.296
  220    H    ASN  33           H        ASN  33  -7.648  11.763  11.616
  221    HA   ASN  33           HA       ASN  33  -5.896  10.882  12.965
  222   1HB   ASN  33          1HB       ASN  33  -8.196   9.735  14.739
  223   2HB   ASN  33          2HB       ASN  33  -6.550   9.349  15.019
  224   1HD2  ASN  33          1HD2      ASN  33  -5.817  12.579  16.503
  225   2HD2  ASN  33          2HD2      ASN  33  -5.122  11.039  15.787
  226    H    CYS  34           H        CYS  34  -6.053   9.915  10.726
  227    HA   CYS  34           HA       CYS  34  -6.871   7.159  10.334
  228   1HB   CYS  34          1HB       CYS  34  -4.718   8.640   8.775
  229   2HB   CYS  34          2HB       CYS  34  -5.499   7.175   8.246
  230    H    GLU  35           H        GLU  35  -5.364   5.290   9.766
  231    HA   GLU  35           HA       GLU  35  -2.760   5.293  11.405
  232   1HB   GLU  35          1HB       GLU  35  -4.416   2.754  11.563
  233   2HB   GLU  35          2HB       GLU  35  -3.128   3.317  12.561
  234   1HG   GLU  35          1HG       GLU  35  -4.533   4.984  13.725
  235   2HG   GLU  35          2HG       GLU  35  -5.931   4.527  12.752
  236    HE2  GLU  35           HE2      GLU  35  -6.617   1.592  14.423
  237    H    CYS  36           H        CYS  36  -1.795   3.030  11.045
  238    HA   CYS  36           HA       CYS  36  -1.280   2.776   8.021
  239   1HB   CYS  36          1HB       CYS  36   0.501   2.273  10.465
  240   2HB   CYS  36          2HB       CYS  36   0.788   1.251   9.158
  241    H    THR  37           H        THR  37  -0.638   0.564   7.525
  242    HA   THR  37           HA       THR  37  -2.490  -1.370   7.085
  243    HB   THR  37           HB       THR  37  -0.231  -3.013   7.344
  244    HG1  THR  37           HG1      THR  37   0.917  -1.590   8.640
  245   1HG2  THR  37          3HG2      THR  37  -1.286  -2.059   5.253
  246   2HG2  THR  37          1HG2      THR  37  -0.433  -0.538   5.531
  247   3HG2  THR  37          2HG2      THR  37   0.511  -2.015   5.174
  248    HA   PRO  38           HA       PRO  38  -3.585  -4.302  10.398
  249   1HB   PRO  38          1HB       PRO  38  -3.680  -6.705   9.055
  250   2HB   PRO  38          2HB       PRO  38  -4.840  -5.401   8.760
  251   1HG   PRO  38          1HG       PRO  38  -2.329  -6.056   7.133
  252   2HG   PRO  38          2HG       PRO  38  -3.980  -5.764   6.526
  253   1HD   PRO  38          1HD       PRO  38  -2.013  -3.756   6.654
  254   2HD   PRO  38          2HD       PRO  38  -3.760  -3.386   6.800
  255    H    ARG  39           H        ARG  39  -2.756  -5.832  11.787
  256    HA   ARG  39           HA       ARG  39  -0.029  -5.439  12.465
  257   1HB   ARG  39          1HB       ARG  39  -1.964  -6.197  13.979
  258   2HB   ARG  39          2HB       ARG  39  -1.843  -7.816  13.324
  259   1HG   ARG  39          1HG       ARG  39  -0.781  -7.667  15.535
  260   2HG   ARG  39          2HG       ARG  39   0.399  -8.116  14.326
  261   1HD   ARG  39          1HD       ARG  39   1.403  -6.545  15.916
  262   2HD   ARG  39          2HD       ARG  39   1.371  -5.834  14.306
  263   1HH1  ARG  39          2HH2      ARG  39   2.256  -4.105  14.922
  264   2HH1  ARG  39          1HH2      ARG  39   1.923  -2.373  15.428
  265   1HH2  ARG  39          1HH1      ARG  39  -1.218  -3.092  16.640
  266   2HH2  ARG  39          2HH1      ARG  39   0.087  -1.839  16.336
  267    H    LEU  40           H        LEU  40   1.718  -6.066  11.656
  268    HA   LEU  40           HA       LEU  40   2.271  -8.848  10.574
  269   1HB   LEU  40          1HB       LEU  40   1.398  -7.324   8.676
  270   2HB   LEU  40          2HB       LEU  40   2.734  -6.232   8.977
  271    HG   LEU  40           HG       LEU  40   4.366  -8.017   8.276
  272   1HD1  LEU  40          1HD1      LEU  40   1.864  -9.695   7.556
  273   2HD1  LEU  40          2HD1      LEU  40   3.540 -10.075   7.083
  274   3HD1  LEU  40          3HD1      LEU  40   3.081 -10.104   8.792
  275   1HD2  LEU  40          2HD2      LEU  40   3.528  -6.325   6.638
  276   2HD2  LEU  40          3HD2      LEU  40   3.849  -7.876   5.840
  277   3HD2  LEU  40          1HD2      LEU  40   2.172  -7.391   6.196
  278    H    ILE  41           H        ILE  41   4.506  -9.309  10.482
  279    HA   ILE  41           HA       ILE  41   5.838  -8.443  12.885
  280    HB   ILE  41           HB       ILE  41   7.945  -9.824  11.770
  281   1HG1  ILE  41          1HG1      ILE  41   7.175 -11.635  10.245
  282   2HG1  ILE  41          2HG1      ILE  41   5.647 -10.839   9.960
  283   1HG2  ILE  41          1HG2      ILE  41   6.471 -10.563  13.673
  284   2HG2  ILE  41          2HG2      ILE  41   5.221 -11.109  12.527
  285   3HG2  ILE  41          3HG2      ILE  41   6.810 -11.913  12.584
  286   1HD1  ILE  41          1HD1      ILE  41   8.405  -9.680   9.162
  287   2HD1  ILE  41          2HD1      ILE  41   7.323 -10.598   8.088
  288   3HD1  ILE  41          3HD1      ILE  41   6.808  -9.016   8.702
  289    H    MET  42           H        MET  42   6.570  -6.532  13.194
  290    HA   MET  42           HA       MET  42   8.773  -5.284  11.536
  291   1HB   MET  42          1HB       MET  42   6.057  -3.841  11.950
  292   2HB   MET  42          2HB       MET  42   7.539  -3.039  11.458
  293   1HG   MET  42          1HG       MET  42   7.606  -4.423   9.339
  294   2HG   MET  42          2HG       MET  42   6.066  -5.176   9.817
  295   1HE   MET  42          2HE       MET  42   4.534  -4.465   7.957
  296   2HE   MET  42          1HE       MET  42   4.466  -2.833   7.240
  297   3HE   MET  42          3HE       MET  42   5.944  -3.827   7.053
  298    H    GLU  43           H        GLU  43  10.153  -4.965  13.152
  299    HA   GLU  43           HA       GLU  43  11.261  -3.982  14.999
  300   1HB   GLU  43          1HB       GLU  43   8.709  -2.195  15.196
  301   2HB   GLU  43          2HB       GLU  43  10.239  -1.869  15.972
  302   1HG   GLU  43          1HG       GLU  43  11.382  -1.656  13.737
  303   2HG   GLU  43          2HG       GLU  43   9.845  -1.928  12.921
  304    HE2  GLU  43           HE2      GLU  43  10.786   1.697  13.641
  305    H    GLY  44           H        GLY  44  11.339  -3.717  17.279
  306   1HA   GLY  44          1HA       GLY  44   9.296  -5.254  18.985
  307   2HA   GLY  44          2HA       GLY  44  10.867  -4.690  19.518
  308    H    LEU  45           H        LEU  45   7.669  -3.558  18.500
  309    HA   LEU  45           HA       LEU  45   7.969  -1.014  20.197
  310   1HB   LEU  45          1HB       LEU  45   8.465  -0.708  17.671
  311   2HB   LEU  45          2HB       LEU  45   6.826  -1.152  17.316
  312    HG   LEU  45           HG       LEU  45   7.282   1.249  17.187
  313   1HD1  LEU  45          2HD1      LEU  45   4.932   0.576  17.760
  314   2HD1  LEU  45          3HD1      LEU  45   5.284   0.831  19.487
  315   3HD1  LEU  45          1HD1      LEU  45   5.354   2.195  18.349
  316   1HD2  LEU  45          1HD2      LEU  45   9.047   1.455  18.964
  317   2HD2  LEU  45          2HD2      LEU  45   7.798   2.710  19.096
  318   3HD2  LEU  45          3HD2      LEU  45   7.792   1.335  20.223
  319    H    SER  46           H        SER  46   5.285  -2.127  18.136
  320    HA   SER  46           HA       SER  46   3.567  -2.607  20.671
  321   1HB   SER  46          1HB       SER  46   2.725  -0.799  19.133
  322   2HB   SER  46          2HB       SER  46   2.636  -1.950  17.795
  323    HG   SER  46           HG       SER  46   0.684  -1.651  18.966
  324    H    PHE  47           H        PHE  47   4.666  -4.567  20.884
  325    HA   PHE  47           HA       PHE  47   5.247  -6.844  20.666
  326   1HB   PHE  47          1HB       PHE  47   2.642  -7.032  20.681
  327   2HB   PHE  47          2HB       PHE  47   2.652  -7.071  18.939
  328    HD1  PHE  47           HD2      PHE  47   3.978  -8.842  22.008
  329    HD2  PHE  47           HD1      PHE  47   3.042  -9.227  17.823
  330    HE1  PHE  47           HE2      PHE  47   4.355 -11.270  22.136
  331    HE2  PHE  47           HE1      PHE  47   3.424 -11.652  17.973
  332    HZ   PHE  47           HZ       PHE  47   4.083 -12.678  20.123
  333    H    ALA  48           H        ALA  48   3.905  -7.063  17.408
  334    HA   ALA  48           HA       ALA  48   6.394  -6.018  16.095
  335   1HB   ALA  48          1HB       ALA  48   7.042  -8.436  16.580
  336   2HB   ALA  48          2HB       ALA  48   5.625  -9.006  15.665
  337   3HB   ALA  48          3HB       ALA  48   6.934  -8.113  14.846
  338    HXT  ALA  48           HO       ALA  48   3.113  -7.207  13.979
   
  No H/Q in entry =         338
  Start of MODEL          10
 Raw file had  348 H/Q atoms
  Start of MODEL   10
    1   1H    GLU   1          3H        GLU   1   6.714  14.575  14.374
    2   2H    GLU   1          1H        GLU   1   8.118  14.202  15.161
    3   3H    GLU   1          2H        GLU   1   7.779  15.772  14.775
    4    HA   GLU   1           HA       GLU   1   7.904  15.297  12.397
    5   1HB   GLU   1          1HB       GLU   1   9.945  15.999  13.831
    6   2HB   GLU   1          2HB       GLU   1  10.434  14.324  13.935
    7   1HG   GLU   1          1HG       GLU   1  10.141  15.976  11.330
    8   2HG   GLU   1          2HG       GLU   1  11.635  15.768  12.219
    9    HE2  GLU   1           HE2      GLU   1  10.820  13.258   9.389
   10    H    ASP   2           H        ASP   2   7.204  13.770  11.104
   11    HA   ASP   2           HA       ASP   2   8.031  10.823  11.506
   12   1HB   ASP   2          1HB       ASP   2   5.315  11.889  10.483
   13   2HB   ASP   2          2HB       ASP   2   5.872  10.253  10.204
   14    HD1  ASP   2           HD2      ASP   2   6.106   8.901  11.777
   15    H    ASN   3           H        ASN   3   9.652  10.711  10.127
   16    HA   ASN   3           HA       ASN   3   9.608  11.817   7.339
   17   1HB   ASN   3          1HB       ASN   3  11.788  10.629   7.091
   18   2HB   ASN   3          2HB       ASN   3  11.794  11.686   8.466
   19   1HD2  ASN   3          1HD2      ASN   3  12.559   8.991  10.757
   20   2HD2  ASN   3          2HD2      ASN   3  12.031  10.738  10.566
   21    H    CYS   4           H        CYS   4   9.108   9.052   8.775
   22    HA   CYS   4           HA       CYS   4   7.308   7.849   6.693
   23   1HB   CYS   4          1HB       CYS   4   8.144   5.760   6.587
   24   2HB   CYS   4          2HB       CYS   4   9.131   6.690   5.623
   25    H    ILE   5           H        ILE   5   6.239   5.888   7.430
   26    HA   ILE   5           HA       ILE   5   5.893   5.922  10.554
   27    HB   ILE   5           HB       ILE   5   3.479   5.355   8.703
   28   1HG1  ILE   5          1HG1      ILE   5   4.212   7.821  10.302
   29   2HG1  ILE   5          2HG1      ILE   5   4.326   7.698   8.551
   30   1HG2  ILE   5          2HG2      ILE   5   3.366   4.151  10.911
   31   2HG2  ILE   5          3HG2      ILE   5   3.601   5.686  11.778
   32   3HG2  ILE   5          1HG2      ILE   5   2.162   5.394  10.789
   33   1HD1  ILE   5          3HD1      ILE   5   1.772   7.442  10.138
   34   2HD1  ILE   5          1HD1      ILE   5   2.293   8.912   9.334
   35   3HD1  ILE   5          2HD1      ILE   5   1.951   7.454   8.347
   36    H    ALA   6           H        ALA   6   7.302   4.243  10.796
   37    HA   ALA   6           HA       ALA   6   7.243   1.817   9.005
   38   1HB   ALA   6          2HB       ALA   6   9.433   2.783   9.948
   39   2HB   ALA   6          3HB       ALA   6   8.909   2.376  11.603
   40   3HB   ALA   6          1HB       ALA   6   9.241   1.088  10.420
   41    H    GLU   7           H        GLU   7   5.231   2.548  11.114
   42    HA   GLU   7           HA       GLU   7   4.953   0.187  12.925
   43   1HB   GLU   7          1HB       GLU   7   3.333   2.735  12.589
   44   2HB   GLU   7          2HB       GLU   7   3.051   1.606  13.889
   45   1HG   GLU   7          1HG       GLU   7   5.611   3.278  13.521
   46   2HG   GLU   7          2HG       GLU   7   4.305   3.591  14.646
   47    HE2  GLU   7           HE2      GLU   7   7.154   0.876  15.457
   48    H    ASP   8           H        ASP   8   3.155  -0.829  13.490
   49    HA   ASP   8           HA       ASP   8   1.167  -1.441  11.241
   50   1HB   ASP   8          1HB       ASP   8   1.122  -3.200  13.677
   51   2HB   ASP   8          2HB       ASP   8   0.676  -3.555  12.015
   52    HD1  ASP   8           HD2      ASP   8   2.656  -3.051  10.564
   53    H    TYR   9           H        TYR   9  -0.547  -0.587  11.658
   54    HA   TYR   9           HA       TYR   9  -2.177   1.079  12.392
   55   1HB   TYR   9          1HB       TYR   9  -1.781  -0.227  15.184
   56   2HB   TYR   9          2HB       TYR   9  -3.161   0.686  14.647
   57    HD1  TYR   9           HD2      TYR   9  -4.183  -0.327  12.193
   58    HD2  TYR   9           HD1      TYR   9  -2.183  -2.579  15.271
   59    HE1  TYR   9           HE2      TYR   9  -5.220  -2.397  11.378
   60    HE2  TYR   9           HE1      TYR   9  -3.289  -4.624  14.481
   61    HH   TYR   9           HH       TYR   9  -5.587  -4.534  11.751
   62    H    GLY  10           H        GLY  10   0.632   1.921  12.398
   63   1HA   GLY  10          1HA       GLY  10   1.022   3.966  14.558
   64   2HA   GLY  10          2HA       GLY  10   1.848   4.050  13.121
   65    H    LYS  11           H        LYS  11   0.593   5.895  14.448
   66    HA   LYS  11           HA       LYS  11  -1.939   6.758  13.056
   67   1HB   LYS  11          1HB       LYS  11  -0.221   8.692  14.642
   68   2HB   LYS  11          2HB       LYS  11  -1.849   8.961  14.155
   69   1HG   LYS  11          1HG       LYS  11  -1.006   6.863  16.231
   70   2HG   LYS  11          2HG       LYS  11  -1.754   8.409  16.566
   71   1HD   LYS  11          1HD       LYS  11  -3.080   6.064  15.059
   72   2HD   LYS  11          2HD       LYS  11  -3.344   6.499  16.740
   73   1HE   LYS  11          1HE       LYS  11  -4.311   8.751  16.010
   74   2HE   LYS  11          2HE       LYS  11  -4.104   8.275  14.319
   75   1HZ   LYS  11          1HZ       LYS  11  -5.755   6.812  16.300
   76   2HZ   LYS  11          2HZ       LYS  11  -5.562   6.381  14.735
   77    H    CYS  12           H        CYS  12  -2.064   7.715  11.474
   78    HA   CYS  12           HA       CYS  12   0.130   9.111   9.790
   79   1HB   CYS  12          1HB       CYS  12  -0.284   7.640   7.863
   80   2HB   CYS  12          2HB       CYS  12   0.062   6.618   9.245
   81    H    THR  13           H        THR  13  -0.922   9.606   7.606
   82    HA   THR  13           HA       THR  13  -3.742  10.799   7.894
   83    HB   THR  13           HB       THR  13  -2.325  12.928   6.638
   84    HG1  THR  13           HG1      THR  13  -0.825  12.014   8.904
   85   1HG2  THR  13          2HG2      THR  13  -4.025  13.280   8.389
   86   2HG2  THR  13          3HG2      THR  13  -2.853  12.750   9.655
   87   3HG2  THR  13          1HG2      THR  13  -2.549  14.226   8.697
   88    H    TRP  14           H        TRP  14  -4.666  11.435   6.108
   89    HA   TRP  14           HA       TRP  14  -3.770  10.305   3.380
   90   1HB   TRP  14          1HB       TRP  14  -6.569  11.254   4.261
   91   2HB   TRP  14          2HB       TRP  14  -6.129  10.896   2.605
   92    HD1  TRP  14           HD1      TRP  14  -4.430   8.022   3.336
   93    HE1  TRP  14           HE1      TRP  14  -5.848   5.837   3.694
   94    HE3  TRP  14           HE3      TRP  14  -8.837  10.364   4.472
   95    HZ2  TRP  14           HZ2      TRP  14  -8.588   5.366   4.359
   96    HZ3  TRP  14           HZ3      TRP  14 -10.823   8.980   4.969
   97    HH2  TRP  14           HH2      TRP  14 -10.701   6.522   4.910
   98    H    GLY  15           H        GLY  15  -2.414  11.798   2.748
   99   1HA   GLY  15          1HA       GLY  15  -1.702  14.008   1.809
  100   2HA   GLY  15          2HA       GLY  15  -3.058  14.807   2.637
  101    H    GLY  16           H        GLY  16  -0.186  12.854   3.202
  102   1HA   GLY  16          1HA       GLY  16   0.599  14.088   5.952
  103   2HA   GLY  16          2HA       GLY  16  -0.186  12.581   5.836
  104    H    THR  17           H        THR  17   1.669  12.028   6.961
  105    HA   THR  17           HA       THR  17   3.812  10.801   5.144
  106    HB   THR  17           HB       THR  17   3.604   9.824   8.050
  107    HG1  THR  17           HG1      THR  17   3.628  12.156   8.055
  108   1HG2  THR  17          2HG2      THR  17   5.223   8.731   6.484
  109   2HG2  THR  17          3HG2      THR  17   6.049  10.266   6.217
  110   3HG2  THR  17          1HG2      THR  17   6.009   9.522   7.834
  111    H    LYS  18           H        LYS  18   3.723   8.766   4.638
  112    HA   LYS  18           HA       LYS  18   1.309   6.895   5.188
  113   1HB   LYS  18          1HB       LYS  18   3.191   6.440   2.857
  114   2HB   LYS  18          2HB       LYS  18   1.664   5.753   3.211
  115   1HG   LYS  18          1HG       LYS  18   1.012   7.046   1.470
  116   2HG   LYS  18          2HG       LYS  18   0.517   8.039   2.831
  117   1HD   LYS  18          1HD       LYS  18   2.666   9.440   2.495
  118   2HD   LYS  18          2HD       LYS  18   3.065   8.421   1.112
  119   1HE   LYS  18          1HE       LYS  18   0.911   9.149  -0.033
  120   2HE   LYS  18          2HE       LYS  18   0.498  10.141   1.374
  121   1HZ   LYS  18          1HZ       LYS  18   1.526  11.459  -0.318
  122   2HZ   LYS  18          2HZ       LYS  18   2.488  11.441   1.004
  123    H    CYS  19           H        CYS  19   2.313   4.721   4.713
  124    HA   CYS  19           HA       CYS  19   4.005   4.307   7.201
  125   1HB   CYS  19          1HB       CYS  19   2.825   2.242   5.248
  126   2HB   CYS  19          2HB       CYS  19   3.694   1.781   6.753
  127    H    CYS  20           H        CYS  20   5.990   3.128   7.263
  128    HA   CYS  20           HA       CYS  20   7.752   4.336   5.497
  129   1HB   CYS  20          1HB       CYS  20   8.265   3.491   7.913
  130   2HB   CYS  20          2HB       CYS  20   8.790   1.963   7.115
  131    H    ARG  21           H        ARG  21   9.634   2.788   4.691
  132    HA   ARG  21           HA       ARG  21  10.296   2.005   2.469
  133   1HB   ARG  21          1HB       ARG  21  11.018  -0.351   2.781
  134   2HB   ARG  21          2HB       ARG  21  11.344   0.575   4.218
  135   1HG   ARG  21          1HG       ARG  21   9.385  -0.472   5.400
  136   2HG   ARG  21          2HG       ARG  21   8.933  -1.346   3.940
  137   1HD   ARG  21          1HD       ARG  21  11.150  -2.583   3.987
  138   2HD   ARG  21          2HD       ARG  21  11.595  -1.714   5.469
  139   1HH1  ARG  21          2HH2      ARG  21  12.214  -4.184   5.418
  140   2HH1  ARG  21          1HH2      ARG  21  11.743  -5.672   6.384
  141   1HH2  ARG  21          1HH1      ARG  21   8.552  -4.518   7.007
  142   2HH2  ARG  21          2HH1      ARG  21   9.799  -5.846   7.229
  143    H    GLY  22           H        GLY  22   7.974   2.564   2.254
  144   1HA   GLY  22          1HA       GLY  22   6.373   2.641   0.351
  145   2HA   GLY  22          2HA       GLY  22   7.072   1.182  -0.272
  146    H    ARG  23           H        ARG  23   5.329   2.112   2.572
  147    HA   ARG  23           HA       ARG  23   3.356  -0.243   2.153
  148   1HB   ARG  23          1HB       ARG  23   4.423   1.048   4.699
  149   2HB   ARG  23          2HB       ARG  23   3.000   0.001   4.724
  150   1HG   ARG  23          1HG       ARG  23   5.885  -0.707   4.069
  151   2HG   ARG  23          2HG       ARG  23   4.997  -1.011   5.557
  152   1HD   ARG  23          1HD       ARG  23   3.426  -2.582   4.359
  153   2HD   ARG  23          2HD       ARG  23   4.270  -2.298   2.828
  154   1HH1  ARG  23          2HH2      ARG  23   3.288  -4.578   4.733
  155   2HH1  ARG  23          1HH2      ARG  23   4.134  -6.127   5.234
  156   1HH2  ARG  23          1HH1      ARG  23   7.283  -4.833   4.682
  157   2HH2  ARG  23          2HH1      ARG  23   6.255  -6.261   5.206
  158    HA   PRO  24           HA       PRO  24   0.130   3.030   2.048
  159   1HB   PRO  24          1HB       PRO  24  -2.129   1.454   1.828
  160   2HB   PRO  24          2HB       PRO  24  -0.898   1.513   0.557
  161   1HG   PRO  24          1HG       PRO  24  -1.204  -0.605   2.751
  162   2HG   PRO  24          2HG       PRO  24  -1.003  -0.865   1.003
  163   1HD   PRO  24          1HD       PRO  24   1.129  -0.953   2.799
  164   2HD   PRO  24          2HD       PRO  24   1.333  -0.420   1.103
  165    H    CYS  25           H        CYS  25  -1.757   3.770   3.089
  166    HA   CYS  25           HA       CYS  25  -2.205   2.867   5.986
  167   1HB   CYS  25          1HB       CYS  25  -1.178   5.478   5.156
  168   2HB   CYS  25          2HB       CYS  25  -2.823   5.695   5.809
  169    H    ARG  26           H        ARG  26  -4.288   3.263   6.748
  170    HA   ARG  26           HA       ARG  26  -6.483   4.178   4.994
  171   1HB   ARG  26          1HB       ARG  26  -6.305   1.586   4.518
  172   2HB   ARG  26          2HB       ARG  26  -6.836   1.339   6.178
  173   1HG   ARG  26          1HG       ARG  26  -8.930   2.819   5.567
  174   2HG   ARG  26          2HG       ARG  26  -8.333   2.809   3.921
  175   1HD   ARG  26          1HD       ARG  26  -9.960   1.131   3.931
  176   2HD   ARG  26          2HD       ARG  26  -8.458   0.207   3.976
  177   1HH1  ARG  26          2HH2      ARG  26 -11.025  -0.643   3.923
  178   2HH1  ARG  26          1HH2      ARG  26 -12.023  -1.737   5.008
  179   1HH2  ARG  26          1HH1      ARG  26 -10.294  -0.877   7.853
  180   2HH2  ARG  26          2HH1      ARG  26 -11.635  -1.857   7.076
  181    H    CYS  27           H        CYS  27  -8.076   5.052   6.372
  182    HA   CYS  27           HA       CYS  27  -6.960   5.664   8.869
  183   1HB   CYS  27          1HB       CYS  27  -9.667   6.371   7.642
  184   2HB   CYS  27          2HB       CYS  27  -9.479   6.835   9.288
  185    H    SER  28           H        SER  28  -8.254   5.877  10.849
  186    HA   SER  28           HA       SER  28  -8.984   3.373  12.284
  187   1HB   SER  28          1HB       SER  28  -7.877   5.717  13.083
  188   2HB   SER  28          2HB       SER  28  -9.548   6.279  13.168
  189    HG   SER  28           HG       SER  28  -9.967   4.497  14.528
  190    H    MET  29           H        MET  29 -10.926   4.153  13.769
  191    HA   MET  29           HA       MET  29 -13.217   2.838  12.376
  192   1HB   MET  29          1HB       MET  29 -12.396   2.809  14.975
  193   2HB   MET  29          2HB       MET  29 -13.446   4.168  15.170
  194   1HG   MET  29          1HG       MET  29 -14.651   2.137  15.796
  195   2HG   MET  29          2HG       MET  29 -15.400   2.736  14.303
  196   1HE   MET  29          1HE       MET  29 -16.490   0.317  13.870
  197   2HE   MET  29          3HE       MET  29 -15.551  -1.205  13.850
  198   3HE   MET  29          2HE       MET  29 -15.745  -0.297  15.379
  199    H    ILE  30           H        ILE  30 -12.647   6.092  13.453
  200    HA   ILE  30           HA       ILE  30 -15.486   7.078  12.973
  201    HB   ILE  30           HB       ILE  30 -14.438   9.453  13.384
  202   1HG1  ILE  30          1HG1      ILE  30 -11.937   7.926  14.372
  203   2HG1  ILE  30          2HG1      ILE  30 -11.995   8.719  12.815
  204   1HG2  ILE  30          1HG2      ILE  30 -15.619   8.046  15.157
  205   2HG2  ILE  30          2HG2      ILE  30 -14.068   7.296  15.606
  206   3HG2  ILE  30          3HG2      ILE  30 -14.338   9.034  15.865
  207   1HD1  ILE  30          3HD1      ILE  30 -12.430  10.948  13.883
  208   2HD1  ILE  30          1HD1      ILE  30 -12.340  10.187  15.496
  209   3HD1  ILE  30          2HD1      ILE  30 -10.913  10.203  14.438
  210    H    GLY  31           H        GLY  31 -12.380   7.487  11.280
  211   1HA   GLY  31          1HA       GLY  31 -12.869   7.378   8.589
  212   2HA   GLY  31          2HA       GLY  31 -13.846   8.799   8.899
  213    H    THR  32           H        THR  32 -12.114   9.993  10.808
  214    HA   THR  32           HA       THR  32  -9.774  10.948   9.031
  215    HB   THR  32           HB       THR  32  -9.781  13.067  10.389
  216    HG1  THR  32           HG1      THR  32 -12.280  12.053  11.316
  217   1HG2  THR  32          1HG2      THR  32 -11.013  13.029   8.169
  218   2HG2  THR  32          2HG2      THR  32 -12.516  12.554   9.003
  219   3HG2  THR  32          3HG2      THR  32 -11.780  14.141   9.326
  220    H    ASN  33           H        ASN  33  -7.828  11.485  10.198
  221    HA   ASN  33           HA       ASN  33  -6.045  11.227  11.733
  222   1HB   ASN  33          1HB       ASN  33  -8.175  10.180  13.770
  223   2HB   ASN  33          2HB       ASN  33  -6.489  10.224  14.080
  224   1HD2  ASN  33          1HD2      ASN  33  -8.581  13.701  14.473
  225   2HD2  ASN  33          2HD2      ASN  33  -9.355  12.132  13.918
  226    H    CYS  34           H        CYS  34  -5.822   9.788   9.910
  227    HA   CYS  34           HA       CYS  34  -6.660   7.121   9.922
  228   1HB   CYS  34          1HB       CYS  34  -4.302   8.323   8.442
  229   2HB   CYS  34          2HB       CYS  34  -4.676   6.630   8.175
  230    H    GLU  35           H        GLU  35  -5.239   5.129   9.702
  231    HA   GLU  35           HA       GLU  35  -2.750   5.130  11.502
  232   1HB   GLU  35          1HB       GLU  35  -4.329   2.567  11.746
  233   2HB   GLU  35          2HB       GLU  35  -3.224   3.306  12.825
  234   1HG   GLU  35          1HG       GLU  35  -4.827   4.939  13.692
  235   2HG   GLU  35          2HG       GLU  35  -6.052   4.433  12.534
  236    HE1  GLU  35           HE2      GLU  35  -5.216   2.155  15.770
  237    H    CYS  36           H        CYS  36  -1.663   2.927  11.293
  238    HA   CYS  36           HA       CYS  36  -0.919   2.774   8.345
  239   1HB   CYS  36          1HB       CYS  36   1.119   2.768  10.093
  240   2HB   CYS  36          2HB       CYS  36   0.523   1.206  10.628
  241    H    THR  37           H        THR  37  -1.350   1.066   7.023
  242    HA   THR  37           HA       THR  37  -2.807  -1.403   8.136
  243    HB   THR  37           HB       THR  37  -3.266  -2.005   5.759
  244    HG1  THR  37           HG1      THR  37  -2.433   0.687   5.315
  245   1HG2  THR  37          2HG2      THR  37  -5.010  -0.832   7.175
  246   2HG2  THR  37          3HG2      THR  37  -4.394   0.741   6.645
  247   3HG2  THR  37          1HG2      THR  37  -5.142  -0.367   5.465
  248    HA   PRO  38           HA       PRO  38   1.458  -3.147   7.337
  249   1HB   PRO  38          1HB       PRO  38   1.280  -5.346   8.984
  250   2HB   PRO  38          2HB       PRO  38   1.205  -3.701   9.620
  251   1HG   PRO  38          1HG       PRO  38  -1.160  -5.551   8.998
  252   2HG   PRO  38          2HG       PRO  38  -0.811  -4.719  10.533
  253   1HD   PRO  38          1HD       PRO  38  -2.499  -3.656   8.592
  254   2HD   PRO  38          2HD       PRO  38  -1.533  -2.607   9.657
  255    H    ARG  39           H        ARG  39  -0.763  -3.711   5.343
  256    HA   ARG  39           HA       ARG  39  -1.416  -5.209   3.604
  257   1HB   ARG  39          1HB       ARG  39   1.537  -6.161   3.905
  258   2HB   ARG  39          2HB       ARG  39   0.508  -6.539   2.552
  259   1HG   ARG  39          1HG       ARG  39   1.494  -3.727   3.275
  260   2HG   ARG  39          2HG       ARG  39   2.147  -4.761   2.028
  261   1HD   ARG  39          1HD       ARG  39  -0.688  -3.535   2.042
  262   2HD   ARG  39          2HD       ARG  39   0.697  -2.955   1.116
  263   1HH1  ARG  39          2HH2      ARG  39  -1.503  -2.660   0.097
  264   2HH1  ARG  39          1HH2      ARG  39  -2.330  -3.251  -1.431
  265   1HH2  ARG  39          1HH1      ARG  39  -0.671  -6.269  -1.430
  266   2HH2  ARG  39          2HH1      ARG  39  -1.888  -5.158  -2.235
  267    H    LEU  40           H        LEU  40  -2.154  -6.091   6.160
  268    HA   LEU  40           HA       LEU  40  -2.429  -9.090   5.782
  269   1HB   LEU  40          1HB       LEU  40  -1.174  -7.788   8.291
  270   2HB   LEU  40          2HB       LEU  40  -1.817  -9.411   8.292
  271    HG   LEU  40           HG       LEU  40   0.538  -8.525   6.527
  272   1HD1  LEU  40          3HD1      LEU  40   1.123  -8.358   8.937
  273   2HD1  LEU  40          1HD1      LEU  40   0.580 -10.032   9.215
  274   3HD1  LEU  40          2HD1      LEU  40   1.987  -9.704   8.172
  275   1HD2  LEU  40          3HD2      LEU  40  -0.520 -11.368   7.152
  276   2HD2  LEU  40          1HD2      LEU  40  -0.631 -10.540   5.579
  277   3HD2  LEU  40          2HD2      LEU  40   0.955 -10.985   6.228
  278    H    ILE  41           H        ILE  41  -2.995  -6.676   8.347
  279    HA   ILE  41           HA       ILE  41  -6.012  -7.296   8.315
  280    HB   ILE  41           HB       ILE  41  -5.881  -7.091  10.947
  281   1HG1  ILE  41          1HG1      ILE  41  -2.937  -7.960  10.534
  282   2HG1  ILE  41          2HG1      ILE  41  -3.398  -6.344  11.016
  283   1HG2  ILE  41          3HG2      ILE  41  -6.384  -9.214   9.610
  284   2HG2  ILE  41          1HG2      ILE  41  -4.644  -9.588   9.548
  285   3HG2  ILE  41          2HG2      ILE  41  -5.510  -9.574  11.102
  286   1HD1  ILE  41          1HD1      ILE  41  -4.514  -7.279  13.113
  287   2HD1  ILE  41          2HD1      ILE  41  -3.909  -8.895  12.662
  288   3HD1  ILE  41          3HD1      ILE  41  -2.764  -7.582  13.012
  289    H    MET  42           H        MET  42  -6.868  -5.487   7.707
  290    HA   MET  42           HA       MET  42  -5.541  -2.806   8.187
  291   1HB   MET  42          1HB       MET  42  -7.112  -1.994   6.431
  292   2HB   MET  42          2HB       MET  42  -6.136  -3.336   5.897
  293   1HG   MET  42          1HG       MET  42  -8.133  -4.891   6.119
  294   2HG   MET  42          2HG       MET  42  -9.128  -3.514   6.635
  295   1HE   MET  42          1HE       MET  42 -10.758  -4.168   4.553
  296   2HE   MET  42          3HE       MET  42 -10.203  -4.217   2.853
  297   3HE   MET  42          2HE       MET  42  -9.635  -5.455   4.012
  298    H    GLU  43           H        GLU  43  -6.306  -1.229   9.320
  299    HA   GLU  43           HA       GLU  43  -7.450   0.102  10.873
  300   1HB   GLU  43          1HB       GLU  43  -9.362  -0.131   9.218
  301   2HB   GLU  43          2HB       GLU  43 -10.020  -1.502  10.116
  302   1HG   GLU  43          1HG       GLU  43 -10.335   0.055  12.121
  303   2HG   GLU  43          2HG       GLU  43  -9.666   1.383  11.181
  304    HE1  GLU  43           HE2      GLU  43 -12.460   1.733   9.085
  305    H    GLY  44           H        GLY  44  -7.680   0.071  12.931
  306   1HA   GLY  44          1HA       GLY  44  -8.602  -1.891  14.828
  307   2HA   GLY  44          2HA       GLY  44  -6.951  -2.401  14.455
  308    H    LEU  45           H        LEU  45  -8.781  -0.385  16.381
  309    HA   LEU  45           HA       LEU  45  -6.462   1.539  17.024
  310   1HB   LEU  45          1HB       LEU  45  -8.054   3.223  17.405
  311   2HB   LEU  45          2HB       LEU  45  -8.535   2.513  15.900
  312    HG   LEU  45           HG       LEU  45  -9.939   2.005  18.606
  313   1HD1  LEU  45          1HD1      LEU  45 -10.123   4.390  17.921
  314   2HD1  LEU  45          2HD1      LEU  45 -10.756   3.914  16.328
  315   3HD1  LEU  45          3HD1      LEU  45 -11.695   3.580  17.803
  316   1HD2  LEU  45          3HD2      LEU  45 -10.835   1.219  15.755
  317   2HD2  LEU  45          1HD2      LEU  45 -10.468   0.119  17.107
  318   3HD2  LEU  45          2HD2      LEU  45 -11.887   1.170  17.194
  319    H    SER  46           H        SER  46  -6.565   2.498  19.134
  320    HA   SER  46           HA       SER  46  -6.556   2.593  21.496
  321   1HB   SER  46          1HB       SER  46  -8.764   0.392  21.397
  322   2HB   SER  46          2HB       SER  46  -8.300   1.340  22.804
  323    HG   SER  46           HG       SER  46 -10.080   2.193  21.719
  324    H    PHE  47           H        PHE  47  -4.693   1.919  22.229
  325    HA   PHE  47           HA       PHE  47  -4.115  -1.063  22.698
  326   1HB   PHE  47          1HB       PHE  47  -2.138   0.903  21.346
  327   2HB   PHE  47          2HB       PHE  47  -1.770  -0.729  21.838
  328    HD1  PHE  47           HD1      PHE  47  -3.147  -2.704  20.741
  329    HD2  PHE  47           HD2      PHE  47  -3.101   1.297  19.150
  330    HE1  PHE  47           HE1      PHE  47  -4.031  -3.532  18.597
  331    HE2  PHE  47           HE2      PHE  47  -3.972   0.452  17.021
  332    HZ   PHE  47           HZ       PHE  47  -4.471  -1.960  16.747
  333    H    ALA  48           H        ALA  48  -3.777  -1.207  24.784
  334    HA   ALA  48           HA       ALA  48  -2.711   1.101  26.465
  335   1HB   ALA  48          3HB       ALA  48  -3.838  -1.664  27.303
  336   2HB   ALA  48          1HB       ALA  48  -3.383  -0.340  28.401
  337   3HB   ALA  48          2HB       ALA  48  -4.737  -0.126  27.277
  338    HXT  ALA  48           HO       ALA  48   0.504   0.016  26.613
   
  No H/Q in entry =         338
  Start of MODEL          11
 Raw file had  348 H/Q atoms
  Start of MODEL   11
    1   1H    GLU   1          2H        GLU   1  14.274   3.760  10.970
    2   2H    GLU   1          3H        GLU   1  13.980   4.200  12.535
    3   3H    GLU   1          1H        GLU   1  13.028   3.066  11.803
    4    HA   GLU   1           HA       GLU   1  12.169   4.688  10.219
    5   1HB   GLU   1          1HB       GLU   1  11.073   4.249  12.527
    6   2HB   GLU   1          2HB       GLU   1  11.923   5.648  13.165
    7   1HG   GLU   1          1HG       GLU   1  10.711   7.085  11.377
    8   2HG   GLU   1          2HG       GLU   1   9.836   5.644  10.873
    9    HE1  GLU   1           HE2      GLU   1   7.760   5.510  13.671
   10    H    ASP   2           H        ASP   2  13.097   6.167   8.989
   11    HA   ASP   2           HA       ASP   2  15.084   8.222  10.059
   12   1HB   ASP   2          1HB       ASP   2  15.573   6.850   7.965
   13   2HB   ASP   2          2HB       ASP   2  14.188   7.563   7.162
   14    HD1  ASP   2           HD2      ASP   2  17.206   8.113   8.594
   15    H    ASN   3           H        ASN   3  12.333   8.468   7.798
   16    HA   ASN   3           HA       ASN   3  10.855  10.377   9.483
   17   1HB   ASN   3          1HB       ASN   3  12.348  11.868   8.723
   18   2HB   ASN   3          2HB       ASN   3  12.207  11.575   6.978
   19   1HD2  ASN   3          1HD2      ASN   3   9.480  13.966   6.776
   20   2HD2  ASN   3          2HD2      ASN   3  10.640  12.829   5.923
   21    H    CYS   4           H        CYS   4  10.119   8.674   9.153
   22    HA   CYS   4           HA       CYS   4   7.845   8.124   7.065
   23   1HB   CYS   4          1HB       CYS   4   8.411   5.910   6.968
   24   2HB   CYS   4          2HB       CYS   4   9.589   6.791   6.123
   25    H    ILE   5           H        ILE   5   6.628   6.037   7.680
   26    HA   ILE   5           HA       ILE   5   6.027   6.065  10.759
   27    HB   ILE   5           HB       ILE   5   3.864   5.337   8.661
   28   1HG1  ILE   5          1HG1      ILE   5   4.116   7.827  10.338
   29   2HG1  ILE   5          2HG1      ILE   5   4.488   7.740   8.622
   30   1HG2  ILE   5          2HG2      ILE   5   3.662   4.087  10.843
   31   2HG2  ILE   5          3HG2      ILE   5   3.615   5.637  11.725
   32   3HG2  ILE   5          1HG2      ILE   5   2.343   5.181  10.572
   33   1HD1  ILE   5          3HD1      ILE   5   1.775   7.168   9.830
   34   2HD1  ILE   5          1HD1      ILE   5   2.227   8.663   9.008
   35   3HD1  ILE   5          2HD1      ILE   5   2.165   7.125   8.092
   36    H    ALA   6           H        ALA   6   7.363   4.388  11.299
   37    HA   ALA   6           HA       ALA   6   7.769   2.063   9.401
   38   1HB   ALA   6          2HB       ALA   6   9.700   2.998  10.804
   39   2HB   ALA   6          3HB       ALA   6   8.860   2.536  12.311
   40   3HB   ALA   6          1HB       ALA   6   9.450   1.288  11.188
   41    H    GLU   7           H        GLU   7   5.340   2.635  11.092
   42    HA   GLU   7           HA       GLU   7   4.697   0.004  12.491
   43   1HB   GLU   7          2HB       GLU   7   3.280   2.694  12.534
   44   2HB   GLU   7          1HB       GLU   7   2.858   1.318  13.531
   45   1HG   GLU   7          1HG       GLU   7   5.482   2.912  13.746
   46   2HG   GLU   7          2HG       GLU   7   4.081   3.063  14.786
   47    HE2  GLU   7           HE2      GLU   7   6.741   0.094  15.289
   48    H    ASP   8           H        ASP   8   3.033  -1.159  12.389
   49    HA   ASP   8           HA       ASP   8   1.342  -1.031   9.900
   50   1HB   ASP   8          1HB       ASP   8   0.904  -3.418  10.329
   51   2HB   ASP   8          2HB       ASP   8   2.637  -3.180  10.570
   52    HD2  ASP   8           HD2      ASP   8   0.888  -5.163  11.423
   53    H    TYR   9           H        TYR   9   1.144  -0.289  12.359
   54    HA   TYR   9           HA       TYR   9  -1.758   0.584  12.487
   55   1HB   TYR   9          1HB       TYR   9  -0.852  -0.991  15.012
   56   2HB   TYR   9          2HB       TYR   9  -2.385  -0.176  14.825
   57    HD1  TYR   9           HD1      TYR   9  -3.766  -0.891  12.543
   58    HD2  TYR   9           HD2      TYR   9  -0.655  -3.317  14.233
   59    HE1  TYR   9           HE1      TYR   9  -4.681  -2.853  11.414
   60    HE2  TYR   9           HE2      TYR   9  -1.577  -5.274  13.106
   61    HH   TYR   9           HH       TYR   9  -3.109  -6.040  11.709
   62    H    GLY  10           H        GLY  10   0.660   1.868  12.177
   63   1HA   GLY  10          1HA       GLY  10   1.287   3.805  14.382
   64   2HA   GLY  10          2HA       GLY  10   1.622   4.073  12.722
   65    H    LYS  11           H        LYS  11   0.983   6.111  13.819
   66    HA   LYS  11           HA       LYS  11  -1.940   6.806  13.034
   67   1HB   LYS  11          1HB       LYS  11  -0.064   8.880  14.191
   68   2HB   LYS  11          2HB       LYS  11  -1.768   8.993  13.978
   69   1HG   LYS  11          1HG       LYS  11  -0.473   7.153  16.097
   70   2HG   LYS  11          2HG       LYS  11  -0.998   8.795  16.358
   71   1HD   LYS  11          1HD       LYS  11  -2.756   7.581  17.229
   72   2HD   LYS  11          2HD       LYS  11  -3.390   8.121  15.683
   73   1HE   LYS  11          1HE       LYS  11  -2.986   5.804  14.710
   74   2HE   LYS  11          2HE       LYS  11  -2.229   5.290  16.222
   75   1HZ   LYS  11          1HZ       LYS  11  -4.538   4.633  16.067
   76   2HZ   LYS  11          2HZ       LYS  11  -5.041   6.178  15.893
   77    H    CYS  12           H        CYS  12  -2.133   7.777  11.287
   78    HA   CYS  12           HA       CYS  12   0.096   9.046   9.598
   79   1HB   CYS  12          1HB       CYS  12  -0.441   7.664   7.568
   80   2HB   CYS  12          2HB       CYS  12   0.026   6.605   8.878
   81    H    THR  13           H        THR  13  -0.854   9.760   7.468
   82    HA   THR  13           HA       THR  13  -3.812  10.372   7.431
   83    HB   THR  13           HB       THR  13  -3.947  12.541   7.868
   84    HG1  THR  13           HG1      THR  13  -3.147  13.019   5.813
   85   1HG2  THR  13          3HG2      THR  13  -0.872  12.673   8.479
   86   2HG2  THR  13          1HG2      THR  13  -2.043  13.934   8.917
   87   3HG2  THR  13          2HG2      THR  13  -2.139  12.338   9.687
   88    H    TRP  14           H        TRP  14  -4.504  11.055   5.528
   89    HA   TRP  14           HA       TRP  14  -2.951  10.205   3.015
   90   1HB   TRP  14          1HB       TRP  14  -5.872  11.179   3.257
   91   2HB   TRP  14          2HB       TRP  14  -5.091  10.693   1.770
   92    HD1  TRP  14           HD1      TRP  14  -3.730   7.886   2.488
   93    HE1  TRP  14           HE1      TRP  14  -5.139   5.729   3.036
   94    HE3  TRP  14           HE3      TRP  14  -8.015  10.324   3.839
   95    HZ2  TRP  14           HZ2      TRP  14  -7.820   5.322   3.956
   96    HZ3  TRP  14           HZ3      TRP  14  -9.968   8.991   4.553
   97    HH2  TRP  14           HH2      TRP  14  -9.866   6.542   4.632
   98    H    GLY  15           H        GLY  15  -1.512  11.731   2.708
   99   1HA   GLY  15          1HA       GLY  15  -1.223  14.070   1.431
  100   2HA   GLY  15          2HA       GLY  15  -2.183  14.731   2.754
  101    H    GLY  16           H        GLY  16  -1.247  13.160   4.815
  102   1HA   GLY  16          1HA       GLY  16   1.383  14.298   5.782
  103   2HA   GLY  16          2HA       GLY  16   0.297  13.181   6.566
  104    H    THR  17           H        THR  17   2.358  12.362   7.083
  105    HA   THR  17           HA       THR  17   3.950  10.735   5.208
  106    HB   THR  17           HB       THR  17   3.806   9.851   8.166
  107    HG1  THR  17           HG1      THR  17   5.265  11.553   8.617
  108   1HG2  THR  17          1HG2      THR  17   6.216  10.228   6.228
  109   2HG2  THR  17          2HG2      THR  17   6.281   9.624   7.898
  110   3HG2  THR  17          3HG2      THR  17   5.464   8.688   6.660
  111    H    LYS  18           H        LYS  18   3.960   8.634   4.849
  112    HA   LYS  18           HA       LYS  18   1.652   6.735   5.648
  113   1HB   LYS  18          1HB       LYS  18   3.082   6.255   3.043
  114   2HB   LYS  18          2HB       LYS  18   1.571   5.668   3.625
  115   1HG   LYS  18          1HG       LYS  18   0.508   7.973   3.374
  116   2HG   LYS  18          2HG       LYS  18   1.988   8.528   2.593
  117   1HD   LYS  18          1HD       LYS  18   1.717   6.717   0.830
  118   2HD   LYS  18          2HD       LYS  18   0.205   6.213   1.572
  119   1HE   LYS  18          1HE       LYS  18   0.753   9.029   0.392
  120   2HE   LYS  18          2HE       LYS  18  -0.056   7.718  -0.461
  121   1HZ   LYS  18          1HZ       LYS  18  -1.049   8.963   2.040
  122   2HZ   LYS  18          2HZ       LYS  18  -1.787   7.740   1.245
  123    H    CYS  19           H        CYS  19   2.563   4.563   5.064
  124    HA   CYS  19           HA       CYS  19   4.646   4.384   7.225
  125   1HB   CYS  19          1HB       CYS  19   2.791   2.266   6.091
  126   2HB   CYS  19          2HB       CYS  19   4.204   1.718   6.938
  127    H    CYS  20           H        CYS  20   6.370   3.527   7.217
  128    HA   CYS  20           HA       CYS  20   8.191   4.570   5.738
  129   1HB   CYS  20          1HB       CYS  20   8.398   3.502   8.036
  130   2HB   CYS  20          2HB       CYS  20   8.912   1.984   7.298
  131    H    ARG  21           H        ARG  21   7.597   1.076   5.485
  132    HA   ARG  21           HA       ARG  21   9.574   0.730   3.165
  133   1HB   ARG  21          1HB       ARG  21   8.128  -1.379   4.956
  134   2HB   ARG  21          2HB       ARG  21   9.234  -1.804   3.675
  135   1HG   ARG  21          1HG       ARG  21  10.001  -0.296   6.229
  136   2HG   ARG  21          2HG       ARG  21  10.283  -1.989   5.903
  137   1HD   ARG  21          1HD       ARG  21  11.589   0.353   4.342
  138   2HD   ARG  21          2HD       ARG  21  12.331  -0.546   5.653
  139   1HH1  ARG  21          2HH2      ARG  21  11.487   0.141   2.302
  140   2HH1  ARG  21          1HH2      ARG  21  11.997  -0.806   0.815
  141   1HH2  ARG  21          1HH1      ARG  21  12.983  -3.557   2.647
  142   2HH2  ARG  21          2HH1      ARG  21  12.791  -2.769   1.001
  143    H    GLY  22           H        GLY  22   7.146   1.875   2.910
  144   1HA   GLY  22          1HA       GLY  22   5.700   2.247   0.870
  145   2HA   GLY  22          2HA       GLY  22   6.291   0.746   0.216
  146    H    ARG  23           H        ARG  23   4.573   1.771   2.981
  147    HA   ARG  23           HA       ARG  23   2.546  -0.515   2.787
  148   1HB   ARG  23          1HB       ARG  23   4.120  -0.458   4.836
  149   2HB   ARG  23          2HB       ARG  23   3.779   1.033   5.027
  150   1HG   ARG  23          1HG       ARG  23   1.465   0.502   5.887
  151   2HG   ARG  23          2HG       ARG  23   1.533  -1.100   5.171
  152   1HD   ARG  23          1HD       ARG  23   3.279  -0.187   7.549
  153   2HD   ARG  23          2HD       ARG  23   1.729  -1.010   7.692
  154   1HH1  ARG  23          2HH2      ARG  23   4.383  -1.304   8.930
  155   2HH1  ARG  23          1HH2      ARG  23   5.425  -2.793   9.182
  156   1HH2  ARG  23          1HH1      ARG  23   4.131  -4.423   6.431
  157   2HH2  ARG  23          2HH1      ARG  23   5.290  -4.448   7.853
  158    HA   PRO  24           HA       PRO  24  -0.458   3.003   2.293
  159   1HB   PRO  24          1HB       PRO  24  -2.723   1.536   1.667
  160   2HB   PRO  24          2HB       PRO  24  -1.359   1.695   0.550
  161   1HG   PRO  24          1HG       PRO  24  -1.945  -0.632   2.454
  162   2HG   PRO  24          2HG       PRO  24  -1.552  -0.716   0.719
  163   1HD   PRO  24          1HD       PRO  24   0.352  -1.065   2.714
  164   2HD   PRO  24          2HD       PRO  24   0.780  -0.343   1.131
  165    H    CYS  25           H        CYS  25  -2.403   3.732   3.200
  166    HA   CYS  25           HA       CYS  25  -2.848   2.842   6.107
  167   1HB   CYS  25          1HB       CYS  25  -2.258   5.518   4.925
  168   2HB   CYS  25          2HB       CYS  25  -3.699   5.520   5.989
  169    H    ARG  26           H        ARG  26  -4.821   2.977   6.908
  170    HA   ARG  26           HA       ARG  26  -7.280   3.338   5.197
  171   1HB   ARG  26          1HB       ARG  26  -6.762   0.857   5.141
  172   2HB   ARG  26          2HB       ARG  26  -6.758   0.808   6.892
  173   1HG   ARG  26          1HG       ARG  26  -8.789  -0.129   6.164
  174   2HG   ARG  26          2HG       ARG  26  -9.213   1.381   6.923
  175   1HD   ARG  26          1HD       ARG  26  -8.890   1.155   3.845
  176   2HD   ARG  26          2HD       ARG  26 -10.350   0.596   4.658
  177   1HH1  ARG  26          2HH2      ARG  26 -11.079   1.504   2.746
  178   2HH1  ARG  26          1HH2      ARG  26 -12.131   2.926   2.257
  179   1HH2  ARG  26          1HH1      ARG  26 -11.042   4.913   4.845
  180   2HH2  ARG  26          2HH1      ARG  26 -12.109   4.720   3.365
  181    H    CYS  27           H        CYS  27  -8.589   4.690   6.401
  182    HA   CYS  27           HA       CYS  27  -7.398   5.656   8.739
  183   1HB   CYS  27          1HB       CYS  27 -10.037   6.339   7.426
  184   2HB   CYS  27          2HB       CYS  27  -9.882   7.006   8.999
  185    H    SER  28           H        SER  28  -8.661   6.268  10.681
  186    HA   SER  28           HA       SER  28  -9.573   4.184  12.554
  187   1HB   SER  28          1HB       SER  28  -9.664   7.307  12.424
  188   2HB   SER  28          2HB       SER  28 -10.183   6.458  13.849
  189    HG   SER  28           HG       SER  28  -8.170   5.426  13.953
  190    H    MET  29           H        MET  29 -11.578   4.810  13.838
  191    HA   MET  29           HA       MET  29 -13.780   3.459  12.443
  192   1HB   MET  29          1HB       MET  29 -14.890   3.609  14.577
  193   2HB   MET  29          2HB       MET  29 -13.193   3.284  14.866
  194   1HG   MET  29          1HG       MET  29 -14.707   5.850  15.503
  195   2HG   MET  29          2HG       MET  29 -14.072   4.677  16.639
  196   1HE   MET  29          3HE       MET  29 -11.611   4.582  17.536
  197   2HE   MET  29          2HE       MET  29 -11.090   3.970  15.935
  198   3HE   MET  29          1HE       MET  29 -10.216   5.327  16.700
  199    H    ILE  30           H        ILE  30 -13.357   6.676  13.373
  200    HA   ILE  30           HA       ILE  30 -16.097   7.725  12.587
  201    HB   ILE  30           HB       ILE  30 -13.500   9.367  13.126
  202   1HG1  ILE  30          1HG1      ILE  30 -15.936   8.890  14.998
  203   2HG1  ILE  30          2HG1      ILE  30 -14.429   8.007  15.120
  204   1HG2  ILE  30          1HG2      ILE  30 -16.467  10.316  12.937
  205   2HG2  ILE  30          2HG2      ILE  30 -15.088  11.346  13.392
  206   3HG2  ILE  30          3HG2      ILE  30 -15.187  10.698  11.763
  207   1HD1  ILE  30          1HD1      ILE  30 -13.141  10.116  15.586
  208   2HD1  ILE  30          2HD1      ILE  30 -14.678  11.023  15.606
  209   3HD1  ILE  30          3HD1      ILE  30 -14.387   9.741  16.799
  210    H    GLY  31           H        GLY  31 -12.862   8.062  11.158
  211   1HA   GLY  31          1HA       GLY  31 -13.111   7.556   8.473
  212   2HA   GLY  31          2HA       GLY  31 -14.093   9.011   8.483
  213    H    THR  32           H        THR  32 -12.424  10.445  10.339
  214    HA   THR  32           HA       THR  32 -10.021  11.159   8.541
  215    HB   THR  32           HB       THR  32  -9.910  13.316   9.846
  216    HG1  THR  32           HG1      THR  32 -11.106  12.568  11.656
  217   1HG2  THR  32          2HG2      THR  32 -11.145  13.281   7.631
  218   2HG2  THR  32          3HG2      THR  32 -12.668  12.894   8.474
  219   3HG2  THR  32          1HG2      THR  32 -11.861  14.454   8.758
  220    H    ASN  33           H        ASN  33  -8.040  11.646   9.685
  221    HA   ASN  33           HA       ASN  33  -6.265  11.372  11.225
  222   1HB   ASN  33          1HB       ASN  33  -8.530  10.664  13.254
  223   2HB   ASN  33          2HB       ASN  33  -6.896  10.369  13.646
  224   1HD2  ASN  33          1HD2      ASN  33  -6.223  13.875  14.262
  225   2HD2  ASN  33          2HD2      ASN  33  -5.534  12.185  14.078
  226    H    CYS  34           H        CYS  34  -6.153   9.817   9.424
  227    HA   CYS  34           HA       CYS  34  -6.979   7.137   9.705
  228   1HB   CYS  34          1HB       CYS  34  -4.653   8.227   8.056
  229   2HB   CYS  34          2HB       CYS  34  -5.010   6.513   7.933
  230    H    GLU  35           H        GLU  35  -5.651   5.148   9.626
  231    HA   GLU  35           HA       GLU  35  -3.065   5.272  11.283
  232   1HB   GLU  35          1HB       GLU  35  -4.529   2.650  11.586
  233   2HB   GLU  35          2HB       GLU  35  -3.500   3.448  12.644
  234   1HG   GLU  35          1HG       GLU  35  -5.100   4.090  13.984
  235   2HG   GLU  35          2HG       GLU  35  -5.708   5.210  12.802
  236    HE2  GLU  35           HE2      GLU  35  -8.265   2.792  13.998
  237    H    CYS  36           H        CYS  36  -1.909   3.203  11.032
  238    HA   CYS  36           HA       CYS  36  -1.436   2.692   8.031
  239   1HB   CYS  36          1HB       CYS  36   0.399   2.396  10.525
  240   2HB   CYS  36          2HB       CYS  36   0.739   1.358   9.243
  241    H    THR  37           H        THR  37  -1.274   0.565   7.209
  242    HA   THR  37           HA       THR  37  -2.240  -1.785   8.875
  243    HB   THR  37           HB       THR  37  -4.331  -0.892   8.211
  244    HG1  THR  37           HG1      THR  37  -5.084  -2.632   6.964
  245   1HG2  THR  37          3HG2      THR  37  -3.420  -1.044   5.226
  246   2HG2  THR  37          1HG2      THR  37  -5.073  -0.698   5.784
  247   3HG2  THR  37          2HG2      THR  37  -3.768   0.462   6.120
  248    HA   PRO  38           HA       PRO  38   0.771  -3.620   5.922
  249   1HB   PRO  38          1HB       PRO  38   0.773  -6.216   6.850
  250   2HB   PRO  38          2HB       PRO  38   1.438  -4.866   7.786
  251   1HG   PRO  38          1HG       PRO  38  -1.272  -6.220   8.132
  252   2HG   PRO  38          2HG       PRO  38  -0.127  -5.709   9.394
  253   1HD   PRO  38          1HD       PRO  38  -2.377  -4.198   8.551
  254   2HD   PRO  38          2HD       PRO  38  -1.002  -3.479   9.355
  255    H    ARG  39           H        ARG  39   0.475  -4.121   3.864
  256    HA   ARG  39           HA       ARG  39  -2.255  -4.925   2.903
  257   1HB   ARG  39          1HB       ARG  39  -0.900  -3.058   1.867
  258   2HB   ARG  39          2HB       ARG  39   0.322  -4.201   1.356
  259   1HG   ARG  39          1HG       ARG  39  -0.983  -3.651  -0.541
  260   2HG   ARG  39          2HG       ARG  39  -1.363  -5.315  -0.182
  261   1HD   ARG  39          1HD       ARG  39  -3.138  -2.900   0.605
  262   2HD   ARG  39          2HD       ARG  39  -3.310  -3.764  -0.904
  263   1HH1  ARG  39          2HH2      ARG  39  -3.371  -5.884  -1.446
  264   2HH1  ARG  39          1HH2      ARG  39  -4.421  -7.367  -1.191
  265   1HH2  ARG  39          1HH1      ARG  39  -5.462  -6.368   1.935
  266   2HH2  ARG  39          2HH1      ARG  39  -5.524  -7.619   0.594
  267    H    LEU  40           H        LEU  40  -2.579  -6.988   3.355
  268    HA   LEU  40           HA       LEU  40  -1.415  -9.077   1.570
  269   1HB   LEU  40          1HB       LEU  40   0.171  -8.935   3.618
  270   2HB   LEU  40          2HB       LEU  40  -1.119  -9.500   4.643
  271    HG   LEU  40           HG       LEU  40  -0.007 -11.056   2.210
  272   1HD1  LEU  40          3HD1      LEU  40   1.809 -10.666   3.879
  273   2HD1  LEU  40          1HD1      LEU  40   0.801 -11.352   5.177
  274   3HD1  LEU  40          2HD1      LEU  40   1.359 -12.379   3.832
  275   1HD2  LEU  40          2HD2      LEU  40  -1.742 -12.063   4.570
  276   2HD2  LEU  40          3HD2      LEU  40  -2.231 -11.969   2.860
  277   3HD2  LEU  40          1HD2      LEU  40  -0.975 -13.109   3.348
  278    H    ILE  41           H        ILE  41  -3.154  -9.067   4.687
  279    HA   ILE  41           HA       ILE  41  -5.572 -10.432   3.375
  280    HB   ILE  41           HB       ILE  41  -4.277 -11.461   5.433
  281   1HG1  ILE  41          1HG1      ILE  41  -6.461 -12.307   4.709
  282   2HG1  ILE  41          2HG1      ILE  41  -6.247 -12.391   6.431
  283   1HG2  ILE  41          2HG2      ILE  41  -4.084  -9.329   6.824
  284   2HG2  ILE  41          3HG2      ILE  41  -5.848  -9.288   7.038
  285   3HG2  ILE  41          1HG2      ILE  41  -4.898 -10.630   7.707
  286   1HD1  ILE  41          3HD1      ILE  41  -7.848 -10.359   6.676
  287   2HD1  ILE  41          1HD1      ILE  41  -8.178 -10.537   4.930
  288   3HD1  ILE  41          2HD1      ILE  41  -8.553 -11.859   6.038
  289    H    MET  42           H        MET  42  -7.335  -9.309   2.998
  290    HA   MET  42           HA       MET  42  -7.491  -6.369   3.468
  291   1HB   MET  42          1HB       MET  42  -9.615  -6.471   2.262
  292   2HB   MET  42          2HB       MET  42  -8.380  -7.332   1.389
  293   1HG   MET  42          1HG       MET  42 -10.659  -8.686   2.980
  294   2HG   MET  42          2HG       MET  42 -10.629  -8.404   1.238
  295   1HE   MET  42          1HE       MET  42 -10.984 -11.291   2.812
  296   2HE   MET  42          3HE       MET  42 -11.162 -11.091   1.040
  297   3HE   MET  42          2HE       MET  42 -10.063 -12.341   1.696
  298    H    GLU  43           H        GLU  43  -8.239  -5.406   5.156
  299    HA   GLU  43           HA       GLU  43  -9.966  -6.860   7.254
  300   1HB   GLU  43          1HB       GLU  43  -8.455  -6.010   8.983
  301   2HB   GLU  43          2HB       GLU  43  -7.571  -6.987   7.838
  302   1HG   GLU  43          1HG       GLU  43  -6.611  -4.875   6.774
  303   2HG   GLU  43          2HG       GLU  43  -7.499  -3.892   7.933
  304    HE1  GLU  43           HE2      GLU  43  -5.474  -4.634  10.658
  305    H    GLY  44           H        GLY  44 -11.089  -5.585   8.705
  306   1HA   GLY  44          1HA       GLY  44 -12.406  -3.194   7.518
  307   2HA   GLY  44          2HA       GLY  44 -12.818  -3.981   9.029
  308    H    LEU  45           H        LEU  45 -13.125  -2.027   9.991
  309    HA   LEU  45           HA       LEU  45 -12.765   0.002  11.154
  310   1HB   LEU  45          1HB       LEU  45 -11.011  -1.445  12.377
  311   2HB   LEU  45          2HB       LEU  45  -9.792  -0.898  11.247
  312    HG   LEU  45           HG       LEU  45 -10.156   1.498  12.053
  313   1HD1  LEU  45          1HD1      LEU  45 -11.904   0.177  14.242
  314   2HD1  LEU  45          2HD1      LEU  45 -11.317   1.859  14.254
  315   3HD1  LEU  45          3HD1      LEU  45 -12.465   1.336  13.012
  316   1HD2  LEU  45          1HD2      LEU  45  -9.309  -0.589  14.169
  317   2HD2  LEU  45          2HD2      LEU  45  -8.271   0.128  12.911
  318   3HD2  LEU  45          3HD2      LEU  45  -8.914   1.144  14.214
  319    H    SER  46           H        SER  46 -13.335   1.241   9.433
  320    HA   SER  46           HA       SER  46 -11.186   2.288   7.490
  321   1HB   SER  46          1HB       SER  46 -12.793   1.687   5.641
  322   2HB   SER  46          2HB       SER  46 -12.212   0.282   6.517
  323    HG   SER  46           HG       SER  46 -14.704   1.587   6.908
  324    H    PHE  47           H        PHE  47 -14.716   2.759   7.557
  325    HA   PHE  47           HA       PHE  47 -14.427   5.701   8.195
  326   1HB   PHE  47          1HB       PHE  47 -13.807   5.177   5.631
  327   2HB   PHE  47          2HB       PHE  47 -15.498   4.899   5.387
  328    HD1  PHE  47           HD2      PHE  47 -17.142   6.921   5.967
  329    HD2  PHE  47           HD1      PHE  47 -12.875   7.383   5.619
  330    HE1  PHE  47           HE2      PHE  47 -17.418   9.344   5.669
  331    HE2  PHE  47           HE1      PHE  47 -13.174   9.801   5.300
  332    HZ   PHE  47           HZ       PHE  47 -15.440  10.789   5.332
  333    H    ALA  48           H        ALA  48 -16.173   6.265   9.264
  334    HA   ALA  48           HA       ALA  48 -18.894   4.887   8.821
  335   1HB   ALA  48          2HB       ALA  48 -17.935   6.602  11.213
  336   2HB   ALA  48          3HB       ALA  48 -19.556   5.894  11.013
  337   3HB   ALA  48          1HB       ALA  48 -18.149   4.833  11.196
  338    HXT  ALA  48           HO       ALA  48 -20.024   7.597   7.110
   
  No H/Q in entry =         338
  Start of MODEL          12
 Raw file had  348 H/Q atoms
  Start of MODEL   12
    1   1H    GLU   1          2H        GLU   1   6.346  17.609  10.565
    2   2H    GLU   1          3H        GLU   1   6.613  17.103  12.115
    3   3H    GLU   1          1H        GLU   1   7.548  18.299  11.463
    4    HA   GLU   1           HA       GLU   1   8.503  16.779   9.830
    5   1HB   GLU   1          1HB       GLU   1   8.678  15.808  12.778
    6   2HB   GLU   1          2HB       GLU   1   9.720  15.230  11.484
    7   1HG   GLU   1          1HG       GLU   1  10.609  17.558  11.093
    8   2HG   GLU   1          2HG       GLU   1   9.607  18.162  12.411
    9    HE1  GLU   1           HE2      GLU   1  12.933  15.952  13.118
   10    H    ASP   2           H        ASP   2   8.221  14.988   8.699
   11    HA   ASP   2           HA       ASP   2   5.863  13.165   9.128
   12   1HB   ASP   2          1HB       ASP   2   8.078  13.300   6.956
   13   2HB   ASP   2          2HB       ASP   2   6.866  12.046   6.989
   14    HD1  ASP   2           HD2      ASP   2   7.411  15.349   6.661
   15    H    ASN   3           H        ASN   3   9.292  12.367   8.565
   16    HA   ASN   3           HA       ASN   3  10.791  10.758   9.461
   17   1HB   ASN   3          1HB       ASN   3   8.786  10.535  11.801
   18   2HB   ASN   3          2HB       ASN   3  10.436   9.972  11.885
   19   1HD2  ASN   3          1HD2      ASN   3  11.824  13.309  12.470
   20   2HD2  ASN   3          2HD2      ASN   3  12.169  11.744  11.576
   21    H    CYS   4           H        CYS   4   8.292  10.047   8.218
   22    HA   CYS   4           HA       CYS   4   7.144   8.152   7.140
   23   1HB   CYS   4          1HB       CYS   4   8.047   6.114   7.137
   24   2HB   CYS   4          2HB       CYS   4   9.205   7.114   6.446
   25    H    ILE   5           H        ILE   5   6.129   5.988   7.678
   26    HA   ILE   5           HA       ILE   5   5.299   5.889  10.690
   27    HB   ILE   5           HB       ILE   5   3.324   4.594   8.694
   28   1HG1  ILE   5          1HG1      ILE   5   3.382   6.989   7.951
   29   2HG1  ILE   5          2HG1      ILE   5   1.960   6.482   8.708
   30   1HG2  ILE   5          3HG2      ILE   5   3.107   5.511  11.611
   31   2HG2  ILE   5          1HG2      ILE   5   1.789   4.921  10.582
   32   3HG2  ILE   5          2HG2      ILE   5   3.128   3.854  10.977
   33   1HD1  ILE   5          2HD1      ILE   5   3.113   7.548  10.914
   34   2HD1  ILE   5          3HD1      ILE   5   4.155   8.312   9.681
   35   3HD1  ILE   5          1HD1      ILE   5   2.372   8.576   9.661
   36    H    ALA   6           H        ALA   6   6.839   4.400  11.221
   37    HA   ALA   6           HA       ALA   6   7.471   2.060   9.392
   38   1HB   ALA   6          2HB       ALA   6   9.330   3.266  10.669
   39   2HB   ALA   6          3HB       ALA   6   8.595   2.789  12.226
   40   3HB   ALA   6          1HB       ALA   6   9.275   1.556  11.135
   41    H    GLU   7           H        GLU   7   5.025   2.463  11.094
   42    HA   GLU   7           HA       GLU   7   4.732  -0.166  12.619
   43   1HB   GLU   7          1HB       GLU   7   3.388   2.574  12.829
   44   2HB   GLU   7          2HB       GLU   7   2.838   1.206  13.775
   45   1HG   GLU   7          1HG       GLU   7   5.072   1.033  14.914
   46   2HG   GLU   7          2HG       GLU   7   5.667   2.404  13.980
   47    HE1  GLU   7           HE2      GLU   7   3.138   2.909  17.089
   48    H    ASP   8           H        ASP   8   2.892  -1.153  12.969
   49    HA   ASP   8           HA       ASP   8   0.866  -1.230  10.664
   50   1HB   ASP   8          1HB       ASP   8   0.032  -3.423  11.897
   51   2HB   ASP   8          2HB       ASP   8   1.266  -3.396  10.653
   52    HD1  ASP   8           HD2      ASP   8   3.253  -3.819  11.058
   53    H    TYR   9           H        TYR   9  -0.760  -0.397  11.207
   54    HA   TYR   9           HA       TYR   9  -2.381   1.128  12.218
   55   1HB   TYR   9          1HB       TYR   9  -2.012  -0.601  14.772
   56   2HB   TYR   9          2HB       TYR   9  -3.379   0.400  14.368
   57    HD1  TYR   9           HD2      TYR   9  -4.648  -0.208  12.033
   58    HD2  TYR   9           HD1      TYR   9  -2.042  -2.938  14.100
   59    HE1  TYR   9           HE2      TYR   9  -5.527  -2.077  10.703
   60    HE2  TYR   9           HE1      TYR   9  -2.934  -4.789  12.767
   61    HH   TYR   9           HH       TYR   9  -5.407  -4.243  10.263
   62    H    GLY  10           H        GLY  10   0.321   1.960  12.148
   63   1HA   GLY  10          1HA       GLY  10   0.811   3.715  14.574
   64   2HA   GLY  10          2HA       GLY  10   1.745   3.800  13.194
   65    H    LYS  11           H        LYS  11   0.718   5.747  14.495
   66    HA   LYS  11           HA       LYS  11  -1.729   6.936  13.218
   67   1HB   LYS  11          1HB       LYS  11  -1.071   9.169  14.316
   68   2HB   LYS  11          2HB       LYS  11  -1.501   7.813  15.278
   69   1HG   LYS  11          1HG       LYS  11   0.950   7.442  15.880
   70   2HG   LYS  11          2HG       LYS  11   1.425   8.756  14.817
   71   1HD   LYS  11          1HD       LYS  11  -0.378   9.038  17.307
   72   2HD   LYS  11          2HD       LYS  11   1.349   9.311  17.308
   73   1HE   LYS  11          1HE       LYS  11  -0.687  10.995  15.692
   74   2HE   LYS  11          2HE       LYS  11  -0.009  11.431  17.254
   75   1HZ   LYS  11          1HZ       LYS  11   2.184  11.491  16.278
   76   2HZ   LYS  11          2HZ       LYS  11   1.170  12.514  15.505
   77    H    CYS  12           H        CYS  12  -1.900   7.891  11.597
   78    HA   CYS  12           HA       CYS  12   0.291   9.205   9.843
   79   1HB   CYS  12          1HB       CYS  12   0.227   7.636   8.142
   80   2HB   CYS  12          2HB       CYS  12   0.119   6.593   9.538
   81    H    THR  13           H        THR  13  -0.842   9.454   7.622
   82    HA   THR  13           HA       THR  13  -3.669  10.640   7.873
   83    HB   THR  13           HB       THR  13  -2.414  12.751   6.507
   84    HG1  THR  13           HG1      THR  13  -0.325  11.926   7.137
   85   1HG2  THR  13          2HG2      THR  13  -4.009  13.087   8.364
   86   2HG2  THR  13          3HG2      THR  13  -2.725  12.674   9.561
   87   3HG2  THR  13          1HG2      THR  13  -2.568  14.119   8.526
   88    H    TRP  14           H        TRP  14  -4.643  11.079   6.056
   89    HA   TRP  14           HA       TRP  14  -3.695   9.835   3.396
   90   1HB   TRP  14          1HB       TRP  14  -6.539  10.623   4.297
   91   2HB   TRP  14          2HB       TRP  14  -6.115  10.288   2.632
   92    HD1  TRP  14           HD1      TRP  14  -4.105   7.599   4.020
   93    HE1  TRP  14           HE1      TRP  14  -5.371   5.307   4.210
   94    HE3  TRP  14           HE3      TRP  14  -8.834   9.515   3.674
   95    HZ2  TRP  14           HZ2      TRP  14  -8.136   4.586   4.210
   96    HZ3  TRP  14           HZ3      TRP  14 -10.755   7.963   3.798
   97    HH2  TRP  14           HH2      TRP  14 -10.411   5.540   4.065
   98    H    GLY  15           H        GLY  15  -2.517  11.316   2.513
   99   1HA   GLY  15          1HA       GLY  15  -1.896  13.479   1.444
  100   2HA   GLY  15          2HA       GLY  15  -3.285  14.276   2.222
  101    H    GLY  16           H        GLY  16  -0.335  12.477   2.927
  102   1HA   GLY  16          1HA       GLY  16   0.385  13.948   5.583
  103   2HA   GLY  16          2HA       GLY  16  -0.379  12.434   5.558
  104    H    THR  17           H        THR  17   1.278  11.836   6.714
  105    HA   THR  17           HA       THR  17   3.682  10.701   5.217
  106    HB   THR  17           HB       THR  17   3.009   9.612   8.002
  107    HG1  THR  17           HG1      THR  17   2.892  11.934   8.113
  108   1HG2  THR  17          3HG2      THR  17   5.650  10.185   6.498
  109   2HG2  THR  17          1HG2      THR  17   5.537   9.673   8.200
  110   3HG2  THR  17          2HG2      THR  17   4.937   8.624   6.924
  111    H    LYS  18           H        LYS  18   3.794   8.708   4.632
  112    HA   LYS  18           HA       LYS  18   1.518   6.636   4.905
  113   1HB   LYS  18          1HB       LYS  18   3.464   6.273   2.640
  114   2HB   LYS  18          2HB       LYS  18   1.884   5.681   2.886
  115   1HG   LYS  18          1HG       LYS  18   1.434   7.051   1.128
  116   2HG   LYS  18          2HG       LYS  18   0.905   8.042   2.478
  117   1HD   LYS  18          1HD       LYS  18   3.178   9.291   2.337
  118   2HD   LYS  18          2HD       LYS  18   3.578   8.297   0.937
  119   1HE   LYS  18          1HE       LYS  18   1.550   9.227  -0.291
  120   2HE   LYS  18          2HE       LYS  18   1.134  10.197   1.131
  121   1HZ   LYS  18          1HZ       LYS  18   3.670  10.418  -0.394
  122   2HZ   LYS  18          2HZ       LYS  18   3.284  11.311   0.920
  123    H    CYS  19           H        CYS  19   2.576   4.543   4.520
  124    HA   CYS  19           HA       CYS  19   4.222   4.326   7.023
  125   1HB   CYS  19          1HB       CYS  19   2.779   2.252   5.306
  126   2HB   CYS  19          2HB       CYS  19   3.917   1.702   6.602
  127    H    CYS  20           H        CYS  20   6.126   3.575   7.221
  128    HA   CYS  20           HA       CYS  20   8.024   4.770   5.896
  129   1HB   CYS  20          1HB       CYS  20   8.088   3.685   8.203
  130   2HB   CYS  20          2HB       CYS  20   8.794   2.235   7.493
  131    H    ARG  21           H        ARG  21   7.771   1.231   5.564
  132    HA   ARG  21           HA       ARG  21  10.089   1.161   3.559
  133   1HB   ARG  21          1HB       ARG  21   8.644  -1.039   5.234
  134   2HB   ARG  21          2HB       ARG  21   9.801  -1.468   4.008
  135   1HG   ARG  21          1HG       ARG  21  10.464   0.242   6.461
  136   2HG   ARG  21          2HG       ARG  21  10.782  -1.466   6.291
  137   1HD   ARG  21          1HD       ARG  21  12.104   0.764   4.606
  138   2HD   ARG  21          2HD       ARG  21  12.820  -0.084   5.961
  139   1HH1  ARG  21          2HH2      ARG  21  11.910   0.433   2.577
  140   2HH1  ARG  21          1HH2      ARG  21  12.410  -0.577   1.130
  141   1HH2  ARG  21          1HH1      ARG  21  13.510  -3.203   3.070
  142   2HH2  ARG  21          2HH1      ARG  21  13.257  -2.503   1.393
  143    H    GLY  22           H        GLY  22   7.645   2.028   2.908
  144   1HA   GLY  22          1HA       GLY  22   6.445   2.247   0.662
  145   2HA   GLY  22          2HA       GLY  22   7.224   0.779   0.133
  146    H    ARG  23           H        ARG  23   5.110   1.878   2.568
  147    HA   ARG  23           HA       ARG  23   3.323  -0.608   2.401
  148   1HB   ARG  23          1HB       ARG  23   4.377   1.077   4.672
  149   2HB   ARG  23          2HB       ARG  23   3.006  -0.036   4.951
  150   1HG   ARG  23          1HG       ARG  23   4.704  -1.846   4.372
  151   2HG   ARG  23          2HG       ARG  23   5.926  -0.529   4.304
  152   1HD   ARG  23          1HD       ARG  23   6.171  -1.608   6.420
  153   2HD   ARG  23          2HD       ARG  23   5.510   0.005   6.703
  154   1HH1  ARG  23          2HH2      ARG  23   5.814  -1.277   8.807
  155   2HH1  ARG  23          1HH2      ARG  23   4.726  -1.981  10.106
  156   1HH2  ARG  23          1HH1      ARG  23   2.144  -2.585   7.909
  157   2HH2  ARG  23          2HH1      ARG  23   2.782  -2.674   9.627
  158    HA   PRO  24           HA       PRO  24  -0.074   2.514   2.021
  159   1HB   PRO  24          1HB       PRO  24  -2.278   0.822   2.144
  160   2HB   PRO  24          2HB       PRO  24  -1.193   0.919   0.753
  161   1HG   PRO  24          1HG       PRO  24  -1.180  -1.151   3.011
  162   2HG   PRO  24          2HG       PRO  24  -1.053  -1.451   1.263
  163   1HD   PRO  24          1HD       PRO  24   1.151  -1.335   2.984
  164   2HD   PRO  24          2HD       PRO  24   1.270  -0.903   1.249
  165    H    CYS  25           H        CYS  25  -1.612   3.479   3.171
  166    HA   CYS  25           HA       CYS  25  -1.857   2.818   6.162
  167   1HB   CYS  25          1HB       CYS  25  -0.875   5.288   5.098
  168   2HB   CYS  25          2HB       CYS  25  -2.574   5.619   5.545
  169    H    ARG  26           H        ARG  26  -3.904   3.157   7.070
  170    HA   ARG  26           HA       ARG  26  -6.328   3.304   5.221
  171   1HB   ARG  26          1HB       ARG  26  -7.515   1.765   6.631
  172   2HB   ARG  26          2HB       ARG  26  -6.072   0.940   6.110
  173   1HG   ARG  26          1HG       ARG  26  -5.045   1.075   8.340
  174   2HG   ARG  26          2HG       ARG  26  -6.135   2.324   8.864
  175   1HD   ARG  26          1HD       ARG  26  -8.082   0.559   8.521
  176   2HD   ARG  26          2HD       ARG  26  -6.786  -0.651   8.507
  177   1HH1  ARG  26          2HH2      ARG  26  -9.034  -0.989   9.725
  178   2HH1  ARG  26          1HH2      ARG  26  -9.558  -1.257  11.463
  179   1HH2  ARG  26          1HH1      ARG  26  -6.952   0.576  12.767
  180   2HH2  ARG  26          2HH1      ARG  26  -8.457  -0.430  13.067
  181    H    CYS  27           H        CYS  27  -8.064   3.566   7.586
  182    HA   CYS  27           HA       CYS  27  -6.800   5.815   9.131
  183   1HB   CYS  27          1HB       CYS  27  -9.613   6.162   7.976
  184   2HB   CYS  27          2HB       CYS  27  -8.904   7.200   9.168
  185    H    SER  28           H        SER  28  -8.164   6.281  11.085
  186    HA   SER  28           HA       SER  28  -9.020   3.948  12.720
  187   1HB   SER  28          1HB       SER  28  -9.250   7.042  12.987
  188   2HB   SER  28          2HB       SER  28  -9.927   5.996  14.209
  189    HG   SER  28           HG       SER  28  -7.838   6.546  14.692
  190    H    MET  29           H        MET  29 -11.152   4.249  13.919
  191    HA   MET  29           HA       MET  29 -13.223   3.128  12.113
  192   1HB   MET  29          1HB       MET  29 -13.194   3.896  15.126
  193   2HB   MET  29          2HB       MET  29 -14.595   3.211  14.357
  194   1HG   MET  29          1HG       MET  29 -11.862   1.801  14.594
  195   2HG   MET  29          2HG       MET  29 -13.311   1.469  15.546
  196   1HE   MET  29          3HE       MET  29 -11.626   1.174  11.952
  197   2HE   MET  29          2HE       MET  29 -11.331  -0.213  13.045
  198   3HE   MET  29          1HE       MET  29 -12.302  -0.434  11.560
  199    H    ILE  30           H        ILE  30 -12.838   6.247  13.614
  200    HA   ILE  30           HA       ILE  30 -15.607   7.270  12.835
  201    HB   ILE  30           HB       ILE  30 -14.380   7.969  15.006
  202   1HG1  ILE  30          1HG1      ILE  30 -16.251   9.317  14.017
  203   2HG1  ILE  30          2HG1      ILE  30 -15.148  10.199  15.029
  204   1HG2  ILE  30          1HG2      ILE  30 -12.015   8.244  14.051
  205   2HG2  ILE  30          2HG2      ILE  30 -12.538   9.683  13.153
  206   3HG2  ILE  30          3HG2      ILE  30 -12.566   9.681  14.922
  207   1HD1  ILE  30          1HD1      ILE  30 -14.131  11.332  12.994
  208   2HD1  ILE  30          2HD1      ILE  30 -15.314  10.486  11.964
  209   3HD1  ILE  30          3HD1      ILE  30 -15.867  11.627  13.196
  210    H    GLY  31           H        GLY  31 -12.272   7.946  11.758
  211   1HA   GLY  31          1HA       GLY  31 -12.321   7.858   8.979
  212   2HA   GLY  31          2HA       GLY  31 -13.343   9.267   9.210
  213    H    THR  32           H        THR  32 -12.128  10.479  11.311
  214    HA   THR  32           HA       THR  32  -9.552  11.632  10.114
  215    HB   THR  32           HB       THR  32  -9.690  13.322  11.982
  216    HG1  THR  32           HG1      THR  32 -11.688  13.438  13.102
  217   1HG2  THR  32          2HG2      THR  32 -10.754  13.880   9.746
  218   2HG2  THR  32          3HG2      THR  32 -12.306  13.201  10.304
  219   3HG2  THR  32          1HG2      THR  32 -11.627  14.644  11.092
  220    H    ASN  33           H        ASN  33  -7.727  11.809  11.421
  221    HA   ASN  33           HA       ASN  33  -5.949  11.113  12.847
  222   1HB   ASN  33          1HB       ASN  33  -8.187   9.812  14.596
  223   2HB   ASN  33          2HB       ASN  33  -6.515   9.668  14.956
  224   1HD2  ASN  33          1HD2      ASN  33  -6.294  13.006  16.333
  225   2HD2  ASN  33          2HD2      ASN  33  -5.380  11.525  15.750
  226    H    CYS  34           H        CYS  34  -5.987  10.039  10.650
  227    HA   CYS  34           HA       CYS  34  -6.705   7.300  10.280
  228   1HB   CYS  34          1HB       CYS  34  -4.561   8.874   8.821
  229   2HB   CYS  34          2HB       CYS  34  -5.149   7.360   8.257
  230    H    GLU  35           H        GLU  35  -5.158   5.473   9.675
  231    HA   GLU  35           HA       GLU  35  -2.661   5.349  11.421
  232   1HB   GLU  35          1HB       GLU  35  -4.371   2.853  11.692
  233   2HB   GLU  35          2HB       GLU  35  -3.147   3.485  12.716
  234   1HG   GLU  35          1HG       GLU  35  -4.620   5.219  13.693
  235   2HG   GLU  35          2HG       GLU  35  -5.942   4.731  12.635
  236    HE1  GLU  35           HE2      GLU  35  -4.823   2.391  15.762
  237    H    CYS  36           H        CYS  36  -1.719   2.991  11.183
  238    HA   CYS  36           HA       CYS  36  -1.170   2.659   8.189
  239   1HB   CYS  36          1HB       CYS  36   0.872   2.586  10.051
  240   2HB   CYS  36          2HB       CYS  36   0.298   0.954  10.290
  241    H    THR  37           H        THR  37  -1.146   0.522   7.204
  242    HA   THR  37           HA       THR  37  -2.548  -1.727   8.723
  243    HB   THR  37           HB       THR  37  -4.344  -0.864   7.461
  244    HG1  THR  37           HG1      THR  37  -4.064  -3.088   7.478
  245   1HG2  THR  37          2HG2      THR  37  -3.160   0.382   5.535
  246   2HG2  THR  37          3HG2      THR  37  -2.682  -1.185   4.832
  247   3HG2  THR  37          1HG2      THR  37  -4.401  -0.725   4.919
  248    HA   PRO  38           HA       PRO  38   1.127  -3.780   7.000
  249   1HB   PRO  38          1HB       PRO  38   0.680  -6.373   7.915
  250   2HB   PRO  38          2HB       PRO  38   1.105  -5.022   8.970
  251   1HG   PRO  38          1HG       PRO  38  -1.659  -6.198   8.472
  252   2HG   PRO  38          2HG       PRO  38  -0.939  -5.699  10.021
  253   1HD   PRO  38          1HD       PRO  38  -2.711  -4.111   8.564
  254   2HD   PRO  38          2HD       PRO  38  -1.506  -3.397   9.637
  255    H    ARG  39           H        ARG  39   1.712  -4.499   5.133
  256    HA   ARG  39           HA       ARG  39  -0.344  -5.629   3.153
  257   1HB   ARG  39          1HB       ARG  39   1.330  -4.818   1.439
  258   2HB   ARG  39          2HB       ARG  39   0.648  -3.593   2.448
  259   1HG   ARG  39          1HG       ARG  39   2.896  -3.004   2.006
  260   2HG   ARG  39          2HG       ARG  39   2.773  -3.331   3.723
  261   1HD   ARG  39          1HD       ARG  39   3.903  -5.567   3.393
  262   2HD   ARG  39          2HD       ARG  39   3.950  -5.295   1.639
  263   1HH1  ARG  39          2HH2      ARG  39   5.877  -6.428   2.185
  264   2HH1  ARG  39          1HH2      ARG  39   7.683  -6.117   2.266
  265   1HH2  ARG  39          1HH1      ARG  39   7.297  -2.797   3.101
  266   2HH2  ARG  39          2HH1      ARG  39   8.431  -4.195   2.751
  267    H    LEU  40           H        LEU  40   1.973  -7.158   5.097
  268    HA   LEU  40           HA       LEU  40   2.141  -9.459   3.103
  269   1HB   LEU  40          1HB       LEU  40   4.233  -7.976   2.875
  270   2HB   LEU  40          2HB       LEU  40   4.591  -8.263   4.563
  271    HG   LEU  40           HG       LEU  40   4.833 -10.752   4.047
  272   1HD1  LEU  40          3HD1      LEU  40   4.563  -9.877   1.091
  273   2HD1  LEU  40          1HD1      LEU  40   5.119 -11.475   1.651
  274   3HD1  LEU  40          2HD1      LEU  40   3.457 -10.960   1.971
  275   1HD2  LEU  40          1HD2      LEU  40   6.823  -9.205   4.146
  276   2HD2  LEU  40          2HD2      LEU  40   7.072 -10.522   2.985
  277   3HD2  LEU  40          3HD2      LEU  40   6.670  -8.888   2.403
  278    H    ILE  41           H        ILE  41   3.665  -8.889   6.286
  279    HA   ILE  41           HA       ILE  41   2.182 -11.355   7.374
  280    HB   ILE  41           HB       ILE  41   4.602  -9.896   8.663
  281   1HG1  ILE  41          1HG1      ILE  41   5.533 -12.451   7.970
  282   2HG1  ILE  41          2HG1      ILE  41   4.456 -12.169   6.624
  283   1HG2  ILE  41          1HG2      ILE  41   3.226 -12.604   9.333
  284   2HG2  ILE  41          2HG2      ILE  41   4.689 -11.958  10.119
  285   3HG2  ILE  41          3HG2      ILE  41   3.147 -11.127  10.325
  286   1HD1  ILE  41          3HD1      ILE  41   5.745  -9.952   6.191
  287   2HD1  ILE  41          1HD1      ILE  41   6.820 -10.392   7.535
  288   3HD1  ILE  41          2HD1      ILE  41   6.756 -11.415   6.081
  289    H    MET  42           H        MET  42   0.429 -10.921   8.498
  290    HA   MET  42           HA       MET  42  -0.458  -8.202   9.205
  291   1HB   MET  42          1HB       MET  42  -2.497  -9.291  10.050
  292   2HB   MET  42          2HB       MET  42  -2.053  -9.940   8.496
  293   1HG   MET  42          1HG       MET  42  -1.160 -12.055   9.664
  294   2HG   MET  42          2HG       MET  42  -1.696 -11.372  11.207
  295   1HE   MET  42          3HE       MET  42  -2.688 -13.438   8.118
  296   2HE   MET  42          2HE       MET  42  -4.417 -13.068   7.852
  297   3HE   MET  42          1HE       MET  42  -3.173 -11.853   7.440
  298    H    GLU  43           H        GLU  43  -0.465  -7.141  11.011
  299    HA   GLU  43           HA       GLU  43   0.227  -6.298  13.136
  300   1HB   GLU  43          1HB       GLU  43  -0.510  -9.168  13.956
  301   2HB   GLU  43          2HB       GLU  43  -0.314  -7.854  15.104
  302   1HG   GLU  43          1HG       GLU  43  -2.244  -6.595  14.125
  303   2HG   GLU  43          2HG       GLU  43  -2.517  -7.876  12.948
  304    HE1  GLU  43           HE2      GLU  43  -3.655  -8.271  16.797
  305    H    GLY  44           H        GLY  44   2.250  -7.030  11.678
  306   1HA   GLY  44          1HA       GLY  44   4.597  -6.586  13.187
  307   2HA   GLY  44          2HA       GLY  44   4.419  -8.327  13.389
  308    H    LEU  45           H        LEU  45   5.118  -5.787  11.107
  309    HA   LEU  45           HA       LEU  45   5.443  -7.613   8.749
  310   1HB   LEU  45          1HB       LEU  45   5.039  -4.774   9.096
  311   2HB   LEU  45          2HB       LEU  45   6.682  -4.850   8.588
  312    HG   LEU  45           HG       LEU  45   5.315  -4.438   6.710
  313   1HD1  LEU  45          3HD1      LEU  45   7.195  -5.983   6.151
  314   2HD1  LEU  45          1HD1      LEU  45   6.129  -7.391   6.380
  315   3HD1  LEU  45          2HD1      LEU  45   5.805  -6.223   5.082
  316   1HD2  LEU  45          2HD2      LEU  45   3.139  -5.285   7.592
  317   2HD2  LEU  45          3HD2      LEU  45   3.427  -5.793   5.918
  318   3HD2  LEU  45          1HD2      LEU  45   3.637  -6.958   7.246
  319    H    SER  46           H        SER  46   7.340  -8.240   7.804
  320    HA   SER  46           HA       SER  46   9.873  -8.463   9.376
  321   1HB   SER  46          1HB       SER  46  10.760  -9.520   7.272
  322   2HB   SER  46          2HB       SER  46   9.237 -10.238   7.763
  323    HG   SER  46           HG       SER  46   8.198  -8.891   6.218
  324    H    PHE  47           H        PHE  47   9.026  -6.601   6.448
  325    HA   PHE  47           HA       PHE  47  11.302  -4.599   7.054
  326   1HB   PHE  47          1HB       PHE  47   9.684  -4.960   4.448
  327   2HB   PHE  47          2HB       PHE  47  10.810  -3.666   4.747
  328    HD1  PHE  47           HD2      PHE  47  13.315  -4.242   5.217
  329    HD2  PHE  47           HD1      PHE  47  10.521  -7.113   3.644
  330    HE1  PHE  47           HE2      PHE  47  15.179  -5.619   4.391
  331    HE2  PHE  47           HE1      PHE  47  12.398  -8.477   2.827
  332    HZ   PHE  47           HZ       PHE  47  14.727  -7.736   3.197
  333    H    ALA  48           H        ALA  48  10.303  -3.543   8.687
  334    HA   ALA  48           HA       ALA  48   7.410  -2.633   8.462
  335   1HB   ALA  48          2HB       ALA  48   8.176  -3.885  10.513
  336   2HB   ALA  48          3HB       ALA  48   9.365  -2.609  10.876
  337   3HB   ALA  48          1HB       ALA  48   7.619  -2.259  10.923
  338    HXT  ALA  48           HO       ALA  48  10.039   0.427   9.119
   
  No H/Q in entry =         338
  Start of MODEL          13
 Raw file had  348 H/Q atoms
  Start of MODEL   13
    1   1H    GLU   1          2H        GLU   1   6.188  12.728   2.161
    2   2H    GLU   1          3H        GLU   1   7.520  11.893   1.654
    3   3H    GLU   1          1H        GLU   1   6.008  11.336   1.290
    4    HA   GLU   1           HA       GLU   1   5.519  10.930   3.645
    5   1HB   GLU   1          1HB       GLU   1   6.515   9.167   2.090
    6   2HB   GLU   1          2HB       GLU   1   8.140   9.621   2.590
    7   1HG   GLU   1          1HG       GLU   1   7.623   8.885   4.945
    8   2HG   GLU   1          2HG       GLU   1   5.949   8.570   4.499
    9    HE1  GLU   1           HE2      GLU   1   8.906   6.064   3.258
   10    H    ASP   2           H        ASP   2   9.069  11.128   3.591
   11    HA   ASP   2           HA       ASP   2  10.700  12.356   4.837
   12   1HB   ASP   2          1HB       ASP   2   8.382  14.416   5.156
   13   2HB   ASP   2          2HB       ASP   2  10.045  14.711   5.597
   14    HD1  ASP   2           HD2      ASP   2  11.580  14.661   4.080
   15    H    ASN   3           H        ASN   3  11.044  11.014   6.506
   16    HA   ASN   3           HA       ASN   3  11.263  10.159   8.696
   17   1HB   ASN   3          1HB       ASN   3  11.510  12.234   9.453
   18   2HB   ASN   3          2HB       ASN   3   9.822  12.774   9.503
   19   1HD2  ASN   3          1HD2      ASN   3   9.436  11.424  12.846
   20   2HD2  ASN   3          2HD2      ASN   3   8.698  12.314  11.422
   21    H    CYS   4           H        CYS   4  10.317   8.906   7.827
   22    HA   CYS   4           HA       CYS   4   7.577   8.194   7.152
   23   1HB   CYS   4          1HB       CYS   4   8.256   6.053   6.876
   24   2HB   CYS   4          2HB       CYS   4   9.378   6.977   6.033
   25    H    ILE   5           H        ILE   5   6.477   6.097   7.724
   26    HA   ILE   5           HA       ILE   5   5.998   6.023  10.805
   27    HB   ILE   5           HB       ILE   5   3.716   5.289   8.872
   28   1HG1  ILE   5          1HG1      ILE   5   4.039   7.821  10.493
   29   2HG1  ILE   5          2HG1      ILE   5   4.454   7.758   8.792
   30   1HG2  ILE   5          3HG2      ILE   5   3.770   5.614  11.936
   31   2HG2  ILE   5          1HG2      ILE   5   2.339   5.351  10.938
   32   3HG2  ILE   5          2HG2      ILE   5   3.543   4.105  11.011
   33   1HD1  ILE   5          3HD1      ILE   5   1.712   7.087   9.846
   34   2HD1  ILE   5          1HD1      ILE   5   2.174   8.634   9.142
   35   3HD1  ILE   5          2HD1      ILE   5   2.207   7.165   8.125
   36    H    ALA   6           H        ALA   6   7.344   4.317  11.190
   37    HA   ALA   6           HA       ALA   6   7.674   2.101   9.173
   38   1HB   ALA   6          2HB       ALA   6   9.652   3.063  10.493
   39   2HB   ALA   6          3HB       ALA   6   8.941   2.468  12.019
   40   3HB   ALA   6          1HB       ALA   6   9.507   1.321  10.780
   41    H    GLU   7           H        GLU   7   5.344   2.484  10.988
   42    HA   GLU   7           HA       GLU   7   4.924  -0.244  12.270
   43   1HB   GLU   7          1HB       GLU   7   3.500   2.470  12.594
   44   2HB   GLU   7          2HB       GLU   7   3.073   1.052  13.521
   45   1HG   GLU   7          1HG       GLU   7   5.313   0.996  14.623
   46   2HG   GLU   7          2HG       GLU   7   5.833   2.405  13.702
   47    HE1  GLU   7           HE2      GLU   7   3.963   4.732  15.466
   48    H    ASP   8           H        ASP   8   3.020  -1.091  12.578
   49    HA   ASP   8           HA       ASP   8   1.001  -0.963  10.281
   50   1HB   ASP   8          1HB       ASP   8   0.172  -3.269  11.188
   51   2HB   ASP   8          2HB       ASP   8   1.465  -3.106  10.001
   52    HD2  ASP   8           HD2      ASP   8   3.392  -3.698  10.422
   53    H    TYR   9           H        TYR   9  -0.580  -0.208  10.983
   54    HA   TYR   9           HA       TYR   9  -2.218   1.135  12.196
   55   1HB   TYR   9          1HB       TYR   9  -1.619  -0.695  14.639
   56   2HB   TYR   9          2HB       TYR   9  -3.061   0.235  14.344
   57    HD1  TYR   9           HD2      TYR   9  -4.360  -0.344  11.997
   58    HD2  TYR   9           HD1      TYR   9  -1.592  -3.016  13.927
   59    HE1  TYR   9           HE2      TYR   9  -5.088  -2.181  10.533
   60    HE2  TYR   9           HE1      TYR   9  -2.332  -4.833  12.460
   61    HH   TYR   9           HH       TYR   9  -4.819  -4.300   9.965
   62    H    GLY  10           H        GLY  10   0.443   2.061  12.032
   63   1HA   GLY  10          1HA       GLY  10   0.941   3.823  14.483
   64   2HA   GLY  10          2HA       GLY  10   1.888   3.883  13.091
   65    H    LYS  11           H        LYS  11   0.824   5.902  14.245
   66    HA   LYS  11           HA       LYS  11  -1.719   6.868  12.923
   67   1HB   LYS  11          1HB       LYS  11  -1.179   9.195  13.908
   68   2HB   LYS  11          2HB       LYS  11  -1.562   7.859  14.917
   69   1HG   LYS  11          1HG       LYS  11   0.909   7.654  15.592
   70   2HG   LYS  11          2HG       LYS  11   1.310   8.921  14.446
   71   1HD   LYS  11          1HD       LYS  11   1.289   9.945  16.618
   72   2HD   LYS  11          2HD       LYS  11  -0.083  10.571  15.732
   73   1HE   LYS  11          1HE       LYS  11  -0.802  10.186  18.009
   74   2HE   LYS  11          2HE       LYS  11  -1.632   8.993  17.018
   75   1HZ   LYS  11          1HZ       LYS  11  -0.001   7.348  17.719
   76   2HZ   LYS  11          2HZ       LYS  11  -0.760   8.008  19.007
   77    H    CYS  12           H        CYS  12  -1.917   7.632  11.234
   78    HA   CYS  12           HA       CYS  12   0.162   9.114   9.506
   79   1HB   CYS  12          1HB       CYS  12  -0.486   7.797   7.461
   80   2HB   CYS  12          2HB       CYS  12   0.073   6.687   8.677
   81    H    THR  13           H        THR  13  -0.900   9.885   7.472
   82    HA   THR  13           HA       THR  13  -3.872  10.515   7.742
   83    HB   THR  13           HB       THR  13  -3.942  12.773   7.854
   84    HG1  THR  13           HG1      THR  13  -1.364  12.993   6.690
   85   1HG2  THR  13          2HG2      THR  13  -2.441  12.383   9.924
   86   2HG2  THR  13          3HG2      THR  13  -0.999  12.671   8.907
   87   3HG2  THR  13          1HG2      THR  13  -2.154  13.983   9.198
   88    H    TRP  14           H        TRP  14  -4.790  11.019   5.876
   89    HA   TRP  14           HA       TRP  14  -3.380  10.306   3.242
   90   1HB   TRP  14          1HB       TRP  14  -6.341  10.946   3.822
   91   2HB   TRP  14          2HB       TRP  14  -5.687  10.653   2.224
   92    HD1  TRP  14           HD1      TRP  14  -3.707   8.027   3.467
   93    HE1  TRP  14           HE1      TRP  14  -4.849   5.674   3.674
   94    HE3  TRP  14           HE3      TRP  14  -8.536   9.715   3.377
   95    HZ2  TRP  14           HZ2      TRP  14  -7.569   4.815   3.740
   96    HZ3  TRP  14           HZ3      TRP  14 -10.369   8.061   3.502
   97    HH2  TRP  14           HH2      TRP  14  -9.894   5.652   3.681
   98    H    GLY  15           H        GLY  15  -2.067  11.846   2.885
   99   1HA   GLY  15          1HA       GLY  15  -1.462  14.085   1.886
  100   2HA   GLY  15          2HA       GLY  15  -2.837  14.821   2.715
  101    H    GLY  16           H        GLY  16  -0.038  12.792   3.456
  102   1HA   GLY  16          1HA       GLY  16   1.031  14.339   5.890
  103   2HA   GLY  16          2HA       GLY  16   0.065  12.947   6.218
  104    H    THR  17           H        THR  17   1.858  12.219   7.138
  105    HA   THR  17           HA       THR  17   4.040  10.952   5.435
  106    HB   THR  17           HB       THR  17   3.576   9.837   8.268
  107    HG1  THR  17           HG1      THR  17   3.567  12.167   8.386
  108   1HG2  THR  17          2HG2      THR  17   5.365   8.895   6.717
  109   2HG2  THR  17          3HG2      THR  17   6.208  10.448   6.781
  110   3HG2  THR  17          1HG2      THR  17   5.931   9.490   8.256
  111    H    LYS  18           H        LYS  18   4.077   8.988   4.845
  112    HA   LYS  18           HA       LYS  18   1.697   7.014   4.951
  113   1HB   LYS  18          1HB       LYS  18   3.884   6.488   2.996
  114   2HB   LYS  18          2HB       LYS  18   2.220   6.118   2.914
  115   1HG   LYS  18          1HG       LYS  18   3.248   8.976   2.350
  116   2HG   LYS  18          2HG       LYS  18   3.173   7.701   1.163
  117   1HD   LYS  18          1HD       LYS  18   1.251   8.978   0.781
  118   2HD   LYS  18          2HD       LYS  18   0.685   7.467   1.477
  119   1HE   LYS  18          1HE       LYS  18   0.334   8.619   3.712
  120   2HE   LYS  18          2HE       LYS  18   0.995  10.123   3.053
  121   1HZ   LYS  18          1HZ       LYS  18  -0.802  10.172   1.457
  122   2HZ   LYS  18          2HZ       LYS  18  -1.387  10.121   2.983
  123    H    CYS  19           H        CYS  19   2.637   4.822   4.667
  124    HA   CYS  19           HA       CYS  19   4.250   4.503   7.244
  125   1HB   CYS  19          1HB       CYS  19   2.457   2.494   5.810
  126   2HB   CYS  19          2HB       CYS  19   3.214   2.251   7.416
  127    H    CYS  20           H        CYS  20   6.105   4.030   7.165
  128    HA   CYS  20           HA       CYS  20   7.921   4.753   5.640
  129   1HB   CYS  20          1HB       CYS  20   8.199   3.742   7.954
  130   2HB   CYS  20          2HB       CYS  20   8.623   2.187   7.221
  131    H    ARG  21           H        ARG  21   7.594   1.180   5.540
  132    HA   ARG  21           HA       ARG  21   9.544   1.007   3.196
  133   1HB   ARG  21          1HB       ARG  21   9.648  -0.374   5.519
  134   2HB   ARG  21          2HB       ARG  21   8.385  -1.373   4.819
  135   1HG   ARG  21          1HG       ARG  21  10.034  -1.798   2.833
  136   2HG   ARG  21          2HG       ARG  21  11.251  -0.927   3.745
  137   1HD   ARG  21          1HD       ARG  21   9.793  -3.509   4.660
  138   2HD   ARG  21          2HD       ARG  21  11.397  -3.441   3.949
  139   1HH1  ARG  21          2HH2      ARG  21   9.116  -3.624   6.553
  140   2HH1  ARG  21          1HH2      ARG  21   9.464  -3.532   8.353
  141   1HH2  ARG  21          1HH1      ARG  21  12.593  -2.158   7.894
  142   2HH2  ARG  21          2HH1      ARG  21  11.309  -2.753   9.062
  143    H    GLY  22           H        GLY  22   7.059   1.796   2.852
  144   1HA   GLY  22          1HA       GLY  22   5.460   1.787   0.841
  145   2HA   GLY  22          2HA       GLY  22   6.102   0.229   0.394
  146    H    ARG  23           H        ARG  23   4.794   1.299   3.375
  147    HA   ARG  23           HA       ARG  23   2.606  -0.829   3.453
  148   1HB   ARG  23          1HB       ARG  23   3.902   0.912   5.579
  149   2HB   ARG  23          2HB       ARG  23   2.210   0.423   5.779
  150   1HG   ARG  23          1HG       ARG  23   3.498  -0.885   7.119
  151   2HG   ARG  23          2HG       ARG  23   2.756  -1.867   5.871
  152   1HD   ARG  23          1HD       ARG  23   4.940  -2.804   6.029
  153   2HD   ARG  23          2HD       ARG  23   5.102  -1.760   4.625
  154   1HH1  ARG  23          2HH2      ARG  23   5.325  -2.570   8.178
  155   2HH1  ARG  23          1HH2      ARG  23   6.634  -2.019   9.339
  156   1HH2  ARG  23          1HH1      ARG  23   7.951   0.254   7.108
  157   2HH2  ARG  23          2HH1      ARG  23   8.026  -0.521   8.769
  158    HA   PRO  24           HA       PRO  24  -0.144   2.821   2.300
  159   1HB   PRO  24          1HB       PRO  24  -2.455   1.394   1.796
  160   2HB   PRO  24          2HB       PRO  24  -1.082   1.406   0.683
  161   1HG   PRO  24          1HG       PRO  24  -1.845  -0.759   2.678
  162   2HG   PRO  24          2HG       PRO  24  -1.302  -0.955   1.002
  163   1HD   PRO  24          1HD       PRO  24   0.369  -1.198   3.265
  164   2HD   PRO  24          2HD       PRO  24   0.979  -0.802   1.630
  165    H    CYS  25           H        CYS  25  -2.445   3.383   3.156
  166    HA   CYS  25           HA       CYS  25  -2.632   2.751   6.166
  167   1HB   CYS  25          1HB       CYS  25  -2.151   5.395   4.887
  168   2HB   CYS  25          2HB       CYS  25  -3.587   5.394   5.957
  169    H    ARG  26           H        ARG  26  -4.588   2.814   7.028
  170    HA   ARG  26           HA       ARG  26  -7.087   3.177   5.401
  171   1HB   ARG  26          1HB       ARG  26  -6.618   0.632   7.094
  172   2HB   ARG  26          2HB       ARG  26  -8.189   1.164   6.527
  173   1HG   ARG  26          1HG       ARG  26  -5.838   0.372   4.706
  174   2HG   ARG  26          2HG       ARG  26  -7.180  -0.672   5.156
  175   1HD   ARG  26          1HD       ARG  26  -8.807   0.875   3.986
  176   2HD   ARG  26          2HD       ARG  26  -7.472   1.957   3.551
  177   1HH1  ARG  26          2HH2      ARG  26  -8.826   2.098   1.791
  178   2HH1  ARG  26          1HH2      ARG  26  -8.845   1.604   0.024
  179   1HH2  ARG  26          1HH1      ARG  26  -6.996  -1.251   0.572
  180   2HH2  ARG  26          2HH1      ARG  26  -7.878  -0.166  -0.617
  181    H    CYS  27           H        CYS  27  -8.311   4.502   6.598
  182    HA   CYS  27           HA       CYS  27  -7.076   5.552   8.957
  183   1HB   CYS  27          1HB       CYS  27  -9.892   6.269   7.919
  184   2HB   CYS  27          2HB       CYS  27  -8.934   7.247   8.987
  185    H    SER  28           H        SER  28  -8.309   6.173  10.924
  186    HA   SER  28           HA       SER  28  -9.136   3.813  12.526
  187   1HB   SER  28          1HB       SER  28  -7.707   6.011  13.115
  188   2HB   SER  28          2HB       SER  28  -9.291   6.773  13.368
  189    HG   SER  28           HG       SER  28  -8.403   5.859  15.223
  190    H    MET  29           H        MET  29 -10.779   4.839  14.214
  191    HA   MET  29           HA       MET  29 -13.334   3.636  13.287
  192   1HB   MET  29          1HB       MET  29 -14.048   3.949  15.603
  193   2HB   MET  29          2HB       MET  29 -12.373   3.419  15.562
  194   1HG   MET  29          1HG       MET  29 -11.664   5.822  16.133
  195   2HG   MET  29          2HG       MET  29 -13.393   6.162  16.392
  196   1HE   MET  29          3HE       MET  29 -12.928   6.869  18.906
  197   2HE   MET  29          2HE       MET  29 -12.068   5.832  20.082
  198   3HE   MET  29          1HE       MET  29 -11.182   6.528  18.694
  199    H    ILE  30           H        ILE  30 -12.479   6.820  14.069
  200    HA   ILE  30           HA       ILE  30 -15.198   8.115  13.526
  201    HB   ILE  30           HB       ILE  30 -12.410   9.462  13.885
  202   1HG1  ILE  30          1HG1      ILE  30 -14.826   9.422  15.842
  203   2HG1  ILE  30          2HG1      ILE  30 -13.509   8.280  15.948
  204   1HG2  ILE  30          3HG2      ILE  30 -15.234  10.778  13.736
  205   2HG2  ILE  30          1HG2      ILE  30 -13.725  11.635  14.135
  206   3HG2  ILE  30          2HG2      ILE  30 -13.942  10.960  12.527
  207   1HD1  ILE  30          3HD1      ILE  30 -11.835  10.124  16.308
  208   2HD1  ILE  30          1HD1      ILE  30 -13.171  11.305  16.328
  209   3HD1  ILE  30          2HD1      ILE  30 -13.091  10.034  17.564
  210    H    GLY  31           H        GLY  31 -12.041   8.288  11.916
  211   1HA   GLY  31          1HA       GLY  31 -12.376   7.826   9.196
  212   2HA   GLY  31          2HA       GLY  31 -13.364   9.275   9.320
  213    H    THR  32           H        THR  32 -11.859  10.724  11.125
  214    HA   THR  32           HA       THR  32  -9.411  11.564   9.464
  215    HB   THR  32           HB       THR  32  -9.294  13.576  10.954
  216    HG1  THR  32           HG1      THR  32 -11.173  14.046  12.190
  217   1HG2  THR  32          1HG2      THR  32 -10.539  13.755   8.750
  218   2HG2  THR  32          2HG2      THR  32 -12.060  13.294   9.557
  219   3HG2  THR  32          3HG2      THR  32 -11.251  14.820   9.982
  220    H    ASN  33           H        ASN  33  -7.483  11.807  10.481
  221    HA   ASN  33           HA       ASN  33  -5.573  11.226  11.773
  222   1HB   ASN  33          1HB       ASN  33  -7.555  10.452  14.053
  223   2HB   ASN  33          2HB       ASN  33  -5.833  10.333  14.160
  224   1HD2  ASN  33          1HD2      ASN  33  -5.385  13.860  14.782
  225   2HD2  ASN  33          2HD2      ASN  33  -4.585  12.263  14.366
  226    H    CYS  34           H        CYS  34  -5.852   9.823   9.936
  227    HA   CYS  34           HA       CYS  34  -6.795   7.097  10.047
  228   1HB   CYS  34          1HB       CYS  34  -4.508   8.164   8.291
  229   2HB   CYS  34          2HB       CYS  34  -5.427   6.715   7.960
  230    H    GLU  35           H        GLU  35  -5.410   5.107   9.708
  231    HA   GLU  35           HA       GLU  35  -2.719   5.217  11.212
  232   1HB   GLU  35          1HB       GLU  35  -4.262   2.652  11.649
  233   2HB   GLU  35          2HB       GLU  35  -3.017   3.385  12.569
  234   1HG   GLU  35          1HG       GLU  35  -4.512   5.093  13.570
  235   2HG   GLU  35          2HG       GLU  35  -5.884   4.456  12.665
  236    HE1  GLU  35           HE2      GLU  35  -4.328   2.412  15.814
  237    H    CYS  36           H        CYS  36  -1.651   3.096  10.990
  238    HA   CYS  36           HA       CYS  36  -1.089   2.703   8.010
  239   1HB   CYS  36          1HB       CYS  36   0.514   1.766  10.531
  240   2HB   CYS  36          2HB       CYS  36   1.105   1.477   8.973
  241    H    THR  37           H        THR  37  -0.697   0.536   7.183
  242    HA   THR  37           HA       THR  37  -1.989  -1.807   8.635
  243    HB   THR  37           HB       THR  37  -3.872  -0.850   7.442
  244    HG1  THR  37           HG1      THR  37  -2.866  -3.170   6.173
  245   1HG2  THR  37          3HG2      THR  37  -2.254  -1.281   4.807
  246   2HG2  THR  37          1HG2      THR  37  -3.999  -0.973   4.859
  247   3HG2  THR  37          2HG2      THR  37  -2.876   0.279   5.413
  248    HA   PRO  38           HA       PRO  38   1.549  -4.102   6.829
  249   1HB   PRO  38          1HB       PRO  38  -0.657  -6.250   6.512
  250   2HB   PRO  38          2HB       PRO  38   0.988  -6.456   7.148
  251   1HG   PRO  38          1HG       PRO  38  -1.079  -6.294   8.882
  252   2HG   PRO  38          2HG       PRO  38   0.429  -5.418   9.243
  253   1HD   PRO  38          1HD       PRO  38  -2.189  -4.253   8.177
  254   2HD   PRO  38          2HD       PRO  38  -1.053  -3.567   9.323
  255    H    ARG  39           H        ARG  39   2.326  -5.014   4.915
  256    HA   ARG  39           HA       ARG  39   1.473  -3.496   2.587
  257   1HB   ARG  39          1HB       ARG  39   3.443  -5.899   2.698
  258   2HB   ARG  39          2HB       ARG  39   3.218  -4.842   1.314
  259   1HG   ARG  39          1HG       ARG  39   3.885  -2.843   2.842
  260   2HG   ARG  39          2HG       ARG  39   4.315  -4.040   4.051
  261   1HD   ARG  39          1HD       ARG  39   6.356  -3.465   2.959
  262   2HD   ARG  39          2HD       ARG  39   5.963  -5.096   2.401
  263   1HH1  ARG  39          2HH2      ARG  39   8.016  -4.438   1.515
  264   2HH1  ARG  39          1HH2      ARG  39   8.730  -4.039  -0.127
  265   1HH2  ARG  39          1HH1      ARG  39   5.780  -2.728  -1.335
  266   2HH2  ARG  39          2HH1      ARG  39   7.544  -3.134  -1.634
  267    H    LEU  40           H        LEU  40   0.135  -3.898   1.034
  268    HA   LEU  40           HA       LEU  40  -0.841  -6.749   0.361
  269   1HB   LEU  40          1HB       LEU  40  -2.167  -4.042  -0.270
  270   2HB   LEU  40          2HB       LEU  40  -2.735  -5.594  -0.846
  271    HG   LEU  40           HG       LEU  40  -2.580  -4.812   2.131
  272   1HD1  LEU  40          1HD1      LEU  40  -4.238  -3.403   0.910
  273   2HD1  LEU  40          2HD1      LEU  40  -5.039  -4.858   0.266
  274   3HD1  LEU  40          3HD1      LEU  40  -5.053  -4.524   2.016
  275   1HD2  LEU  40          1HD2      LEU  40  -3.935  -7.262   0.812
  276   2HD2  LEU  40          2HD2      LEU  40  -2.498  -7.297   1.866
  277   3HD2  LEU  40          3HD2      LEU  40  -4.064  -6.805   2.530
  278    H    ILE  41           H        ILE  41   1.020  -7.197  -0.772
  279    HA   ILE  41           HA       ILE  41   2.098  -5.258  -2.817
  280    HB   ILE  41           HB       ILE  41   3.553  -6.380  -1.047
  281   1HG1  ILE  41          1HG1      ILE  41   4.375  -7.107  -3.953
  282   2HG1  ILE  41          2HG1      ILE  41   4.373  -5.468  -3.327
  283   1HG2  ILE  41          3HG2      ILE  41   2.492  -8.745  -1.139
  284   2HG2  ILE  41          1HG2      ILE  41   3.263  -9.000  -2.724
  285   3HG2  ILE  41          2HG2      ILE  41   4.253  -8.762  -1.270
  286   1HD1  ILE  41          2HD1      ILE  41   6.060  -6.109  -1.545
  287   2HD1  ILE  41          3HD1      ILE  41   6.153  -7.742  -2.259
  288   3HD1  ILE  41          1HD1      ILE  41   6.652  -6.326  -3.209
  289    H    MET  42           H        MET  42   1.793  -5.369  -4.860
  290    HA   MET  42           HA       MET  42   0.923  -7.938  -6.300
  291   1HB   MET  42          1HB       MET  42  -0.367  -5.141  -6.644
  292   2HB   MET  42          2HB       MET  42  -0.627  -6.498  -7.726
  293   1HG   MET  42          1HG       MET  42  -1.429  -6.446  -4.754
  294   2HG   MET  42          2HG       MET  42  -2.512  -6.263  -6.143
  295   1HE   MET  42          2HE       MET  42  -3.898  -8.308  -4.856
  296   2HE   MET  42          1HE       MET  42  -3.185  -9.926  -4.587
  297   3HE   MET  42          3HE       MET  42  -2.580  -8.521  -3.660
  298    H    GLU  43           H        GLU  43   1.733  -4.549  -7.036
  299    HA   GLU  43           HA       GLU  43   3.479  -3.491  -8.236
  300   1HB   GLU  43          1HB       GLU  43   4.863  -6.272  -8.404
  301   2HB   GLU  43          2HB       GLU  43   5.580  -4.729  -8.803
  302   1HG   GLU  43          1HG       GLU  43   5.392  -3.936  -6.434
  303   2HG   GLU  43          2HG       GLU  43   4.623  -5.449  -5.967
  304    HE1  GLU  43           HE2      GLU  43   8.601  -5.219  -6.572
  305    H    GLY  44           H        GLY  44   3.648  -2.908 -10.260
  306   1HA   GLY  44          1HA       GLY  44   3.877  -4.525 -12.639
  307   2HA   GLY  44          2HA       GLY  44   2.151  -4.211 -12.469
  308    H    LEU  45           H        LEU  45   5.299  -2.675 -12.782
  309    HA   LEU  45           HA       LEU  45   4.097  -0.538 -14.551
  310   1HB   LEU  45          1HB       LEU  45   4.151   0.488 -12.214
  311   2HB   LEU  45          2HB       LEU  45   5.873   0.184 -12.124
  312    HG   LEU  45           HG       LEU  45   6.210   1.746 -14.128
  313   1HD1  LEU  45          1HD1      LEU  45   3.218   2.427 -13.713
  314   2HD1  LEU  45          2HD1      LEU  45   4.358   3.347 -14.726
  315   3HD1  LEU  45          3HD1      LEU  45   3.932   1.687 -15.167
  316   1HD2  LEU  45          3HD2      LEU  45   6.568   2.525 -11.783
  317   2HD2  LEU  45          1HD2      LEU  45   5.925   3.835 -12.791
  318   3HD2  LEU  45          2HD2      LEU  45   4.853   2.987 -11.647
  319    H    SER  46           H        SER  46   5.070  -1.545 -16.182
  320    HA   SER  46           HA       SER  46   6.654  -2.433 -17.716
  321   1HB   SER  46          1HB       SER  46   7.941  -0.249 -17.352
  322   2HB   SER  46          2HB       SER  46   8.838  -0.983 -16.020
  323    HG   SER  46           HG       SER  46   8.717  -1.934 -18.690
  324    H    PHE  47           H        PHE  47   8.803  -2.652 -14.892
  325    HA   PHE  47           HA       PHE  47   8.690  -5.684 -14.891
  326   1HB   PHE  47          1HB       PHE  47  10.432  -5.592 -13.220
  327   2HB   PHE  47          2HB       PHE  47  10.872  -4.515 -14.498
  328    HD1  PHE  47           HD2      PHE  47  10.740  -1.948 -14.095
  329    HD2  PHE  47           HD1      PHE  47  10.145  -4.785 -10.913
  330    HE1  PHE  47           HE2      PHE  47  11.087  -0.171 -12.430
  331    HE2  PHE  47           HE1      PHE  47  10.500  -2.996  -9.264
  332    HZ   PHE  47           HZ       PHE  47  10.966  -0.687 -10.016
  333    H    ALA  48           H        ALA  48   7.747  -6.910 -13.353
  334    HA   ALA  48           HA       ALA  48   5.858  -5.614 -11.294
  335   1HB   ALA  48          1HB       ALA  48   5.932  -8.518 -12.371
  336   2HB   ALA  48          2HB       ALA  48   4.781  -7.863 -11.182
  337   3HB   ALA  48          3HB       ALA  48   4.773  -7.248 -12.845
  338    HXT  ALA  48           HO       ALA  48   8.340  -6.159  -8.977
   
  No H/Q in entry =         338
  Start of MODEL          14
 Raw file had  348 H/Q atoms
  Start of MODEL   14
    1   1H    GLU   1          1H        GLU   1   9.880   6.648  11.161
    2   2H    GLU   1          2H        GLU   1  10.306   5.408  10.157
    3   3H    GLU   1          3H        GLU   1   9.837   5.090  11.709
    4    HA   GLU   1           HA       GLU   1  11.787   6.241  12.615
    5   1HB   GLU   1          1HB       GLU   1  13.494   4.585  11.919
    6   2HB   GLU   1          2HB       GLU   1  11.967   3.845  12.320
    7   1HG   GLU   1          1HG       GLU   1  11.502   3.560   9.782
    8   2HG   GLU   1          2HG       GLU   1  13.123   4.161   9.471
    9    HE2  GLU   1           HE2      GLU   1  12.494   0.438  10.858
   10    H    ASP   2           H        ASP   2  12.202   8.252  12.101
   11    HA   ASP   2           HA       ASP   2  13.040  10.228  11.103
   12   1HB   ASP   2          1HB       ASP   2  15.168   8.752  11.079
   13   2HB   ASP   2          2HB       ASP   2  14.824   8.296   9.423
   14    HD2  ASP   2           HD2      ASP   2  15.081   9.707   7.897
   15    H    ASN   3           H        ASN   3  11.111  10.754  10.197
   16    HA   ASN   3           HA       ASN   3   9.727  11.695   8.547
   17   1HB   ASN   3          1HB       ASN   3  11.928  10.835   6.565
   18   2HB   ASN   3          2HB       ASN   3  10.677  11.977   6.153
   19   1HD2  ASN   3          1HD2      ASN   3  12.281  14.809   7.740
   20   2HD2  ASN   3          2HD2      ASN   3  10.668  14.100   7.228
   21    H    CYS   4           H        CYS   4   9.926   8.844   8.948
   22    HA   CYS   4           HA       CYS   4   7.661   8.064   6.953
   23   1HB   CYS   4          2HB       CYS   4   8.338   5.725   7.169
   24   2HB   CYS   4          1HB       CYS   4   9.074   6.608   6.002
   25    H    ILE   5           H        ILE   5   6.754   6.057   7.631
   26    HA   ILE   5           HA       ILE   5   6.010   6.077  10.686
   27    HB   ILE   5           HB       ILE   5   3.891   4.931   8.774
   28   1HG1  ILE   5          1HG1      ILE   5   3.877   7.715   9.984
   29   2HG1  ILE   5          2HG1      ILE   5   4.283   7.447   8.317
   30   1HG2  ILE   5          2HG2      ILE   5   3.942   4.217  11.229
   31   2HG2  ILE   5          3HG2      ILE   5   3.611   5.912  11.663
   32   3HG2  ILE   5          1HG2      ILE   5   2.461   4.976  10.683
   33   1HD1  ILE   5          3HD1      ILE   5   1.601   6.604   9.466
   34   2HD1  ILE   5          1HD1      ILE   5   1.928   8.073   8.525
   35   3HD1  ILE   5          2HD1      ILE   5   2.104   6.465   7.775
   36    H    ALA   6           H        ALA   6   7.481   4.516  11.260
   37    HA   ALA   6           HA       ALA   6   8.049   2.137   9.555
   38   1HB   ALA   6          2HB       ALA   6   9.762   3.031  11.274
   39   2HB   ALA   6          3HB       ALA   6   8.666   2.625  12.618
   40   3HB   ALA   6          1HB       ALA   6   9.418   1.340  11.642
   41    H    GLU   7           H        GLU   7   5.636   2.776  11.402
   42    HA   GLU   7           HA       GLU   7   3.801   1.761  12.626
   43   1HB   GLU   7          1HB       GLU   7   2.381   1.328  10.754
   44   2HB   GLU   7          2HB       GLU   7   3.564   2.312  10.055
   45   1HG   GLU   7          1HG       GLU   7   3.004  -0.713   9.725
   46   2HG   GLU   7          2HG       GLU   7   2.855   0.501   8.508
   47    HE2  GLU   7           HE2      GLU   7   5.997  -1.752   8.553
   48    H    ASP   8           H        ASP   8   2.413   0.460  12.825
   49    HA   ASP   8           HA       ASP   8   1.717  -2.040  12.140
   50   1HB   ASP   8          1HB       ASP   8   3.316  -3.255  13.301
   51   2HB   ASP   8          2HB       ASP   8   3.045  -2.321  14.829
   52    HD1  ASP   8           HD2      ASP   8   1.470  -4.283  12.506
   53    H    TYR   9           H        TYR   9   0.215  -1.337  12.339
   54    HA   TYR   9           HA       TYR   9  -1.822   0.332  12.428
   55   1HB   TYR   9          1HB       TYR   9  -1.707  -0.527  15.405
   56   2HB   TYR   9          2HB       TYR   9  -3.110  -0.034  14.493
   57    HD1  TYR   9           HD2      TYR   9  -3.326  -1.601  12.127
   58    HD2  TYR   9           HD1      TYR   9  -1.309  -2.910  15.676
   59    HE1  TYR   9           HE2      TYR   9  -3.721  -3.930  11.483
   60    HE2  TYR   9           HE1      TYR   9  -1.704  -5.235  15.033
   61    HH   TYR   9           HH       TYR   9  -3.380  -6.064  12.003
   62    H    GLY  10           H        GLY  10   0.602   1.460  12.342
   63   1HA   GLY  10          1HA       GLY  10   1.278   3.561  14.209
   64   2HA   GLY  10          2HA       GLY  10   1.593   3.681  12.498
   65    H    LYS  11           H        LYS  11   1.143   5.829  13.562
   66    HA   LYS  11           HA       LYS  11  -1.772   6.713  12.964
   67   1HB   LYS  11          1HB       LYS  11   0.378   8.586  13.987
   68   2HB   LYS  11          2HB       LYS  11  -1.274   8.992  13.734
   69   1HG   LYS  11          1HG       LYS  11  -0.578   6.857  15.847
   70   2HG   LYS  11          2HG       LYS  11  -0.420   8.564  16.175
   71   1HD   LYS  11          1HD       LYS  11  -2.518   7.898  17.050
   72   2HD   LYS  11          2HD       LYS  11  -2.832   8.976  15.699
   73   1HE   LYS  11          1HE       LYS  11  -3.486   7.030  14.247
   74   2HE   LYS  11          2HE       LYS  11  -3.022   5.886  15.517
   75   1HZ   LYS  11          1HZ       LYS  11  -5.151   7.945  15.744
   76   2HZ   LYS  11          2HZ       LYS  11  -4.740   6.890  16.923
   77    H    CYS  12           H        CYS  12  -2.040   7.608  11.267
   78    HA   CYS  12           HA       CYS  12   0.057   8.770   9.357
   79   1HB   CYS  12          1HB       CYS  12  -0.690   7.462   7.399
   80   2HB   CYS  12          2HB       CYS  12  -0.343   6.306   8.646
   81    H    THR  13           H        THR  13  -1.008   9.608   7.381
   82    HA   THR  13           HA       THR  13  -3.901  10.488   7.745
   83    HB   THR  13           HB       THR  13  -3.762  12.725   7.934
   84    HG1  THR  13           HG1      THR  13  -2.853  12.974   5.874
   85   1HG2  THR  13          2HG2      THR  13  -2.018  12.261   9.785
   86   2HG2  THR  13          3HG2      THR  13  -0.712  12.440   8.579
   87   3HG2  THR  13          1HG2      THR  13  -1.728  13.831   9.004
   88    H    TRP  14           H        TRP  14  -4.808  11.107   5.918
   89    HA   TRP  14           HA       TRP  14  -3.612  10.176   3.246
   90   1HB   TRP  14          1HB       TRP  14  -6.438  11.242   3.835
   91   2HB   TRP  14          2HB       TRP  14  -5.866  10.650   2.290
   92    HD1  TRP  14           HD1      TRP  14  -4.391   7.863   4.155
   93    HE1  TRP  14           HE1      TRP  14  -6.029   5.889   4.632
   94    HE3  TRP  14           HE3      TRP  14  -8.761  10.449   3.328
   95    HZ2  TRP  14           HZ2      TRP  14  -8.877   5.620   4.631
   96    HZ3  TRP  14           HZ3      TRP  14 -10.907   9.268   3.647
   97    HH2  TRP  14           HH2      TRP  14 -10.962   6.892   4.289
   98    H    GLY  15           H        GLY  15  -2.197  11.631   2.689
   99   1HA   GLY  15          1HA       GLY  15  -1.466  13.796   1.667
  100   2HA   GLY  15          2HA       GLY  15  -2.798  14.636   2.459
  101    H    GLY  16           H        GLY  16  -0.012  12.608   3.211
  102   1HA   GLY  16          1HA       GLY  16   1.161  14.205   5.521
  103   2HA   GLY  16          2HA       GLY  16   0.114  12.908   6.004
  104    H    THR  17           H        THR  17   1.936  12.187   6.929
  105    HA   THR  17           HA       THR  17   4.020  10.703   5.309
  106    HB   THR  17           HB       THR  17   3.493   9.785   8.202
  107    HG1  THR  17           HG1      THR  17   4.877  12.157   7.413
  108   1HG2  THR  17          3HG2      THR  17   5.350   8.722   6.810
  109   2HG2  THR  17          1HG2      THR  17   6.135  10.291   6.635
  110   3HG2  THR  17          2HG2      THR  17   5.964   9.543   8.238
  111    H    LYS  18           H        LYS  18   4.043   8.670   4.890
  112    HA   LYS  18           HA       LYS  18   1.722   6.708   5.415
  113   1HB   LYS  18          1HB       LYS  18   3.396   6.408   2.922
  114   2HB   LYS  18          2HB       LYS  18   1.901   5.677   3.330
  115   1HG   LYS  18          1HG       LYS  18   2.134   8.616   2.495
  116   2HG   LYS  18          2HG       LYS  18   1.622   7.278   1.479
  117   1HD   LYS  18          1HD       LYS  18  -0.346   6.838   3.000
  118   2HD   LYS  18          2HD       LYS  18   0.118   8.181   4.030
  119   1HE   LYS  18          1HE       LYS  18  -0.677   8.428   1.048
  120   2HE   LYS  18          2HE       LYS  18  -1.751   8.713   2.416
  121   1HZ   LYS  18          1HZ       LYS  18  -0.343  10.523   3.130
  122   2HZ   LYS  18          2HZ       LYS  18  -0.876  10.765   1.604
  123    H    CYS  19           H        CYS  19   2.690   4.615   4.806
  124    HA   CYS  19           HA       CYS  19   4.555   4.187   7.145
  125   1HB   CYS  19          1HB       CYS  19   2.742   2.349   5.524
  126   2HB   CYS  19          2HB       CYS  19   4.017   1.634   6.549
  127    H    CYS  20           H        CYS  20   6.379   3.322   7.185
  128    HA   CYS  20           HA       CYS  20   8.204   4.517   5.741
  129   1HB   CYS  20          1HB       CYS  20   8.474   3.398   7.999
  130   2HB   CYS  20          2HB       CYS  20   9.040   1.928   7.204
  131    H    ARG  21           H        ARG  21   7.556   1.084   5.322
  132    HA   ARG  21           HA       ARG  21   9.674   0.728   3.129
  133   1HB   ARG  21          1HB       ARG  21   9.402  -0.890   5.236
  134   2HB   ARG  21          2HB       ARG  21   7.913  -1.446   4.502
  135   1HG   ARG  21          1HG       ARG  21   9.652  -3.047   4.096
  136   2HG   ARG  21          2HG       ARG  21   9.245  -2.351   2.540
  137   1HD   ARG  21          1HD       ARG  21  11.304  -0.850   2.677
  138   2HD   ARG  21          2HD       ARG  21  11.691  -1.541   4.263
  139   1HH1  ARG  21          2HH2      ARG  21  13.719  -1.188   2.879
  140   2HH1  ARG  21          1HH2      ARG  21  14.992  -2.249   2.090
  141   1HH2  ARG  21          1HH1      ARG  21  12.795  -4.853   1.553
  142   2HH2  ARG  21          2HH1      ARG  21  14.500  -4.194   1.387
  143    H    GLY  22           H        GLY  22   7.423   2.092   2.750
  144   1HA   GLY  22          1HA       GLY  22   6.047   2.731   0.744
  145   2HA   GLY  22          2HA       GLY  22   6.653   1.309  -0.068
  146    H    ARG  23           H        ARG  23   4.867   1.894   2.759
  147    HA   ARG  23           HA       ARG  23   2.776  -0.243   2.064
  148   1HB   ARG  23          1HB       ARG  23   3.961   0.746   4.687
  149   2HB   ARG  23          2HB       ARG  23   2.558  -0.291   4.704
  150   1HG   ARG  23          1HG       ARG  23   5.428  -0.912   3.777
  151   2HG   ARG  23          2HG       ARG  23   4.638  -1.397   5.253
  152   1HD   ARG  23          1HD       ARG  23   4.546  -3.383   4.039
  153   2HD   ARG  23          2HD       ARG  23   2.920  -2.739   3.792
  154   1HH1  ARG  23          2HH2      ARG  23   3.984  -5.013   2.644
  155   2HH1  ARG  23          1HH2      ARG  23   4.197  -5.552   0.903
  156   1HH2  ARG  23          1HH1      ARG  23   4.540  -2.327  -0.274
  157   2HH2  ARG  23          2HH1      ARG  23   4.492  -4.124  -0.645
  158    HA   PRO  24           HA       PRO  24  -0.368   2.990   2.136
  159   1HB   PRO  24          1HB       PRO  24  -2.661   1.447   1.900
  160   2HB   PRO  24          2HB       PRO  24  -1.404   1.463   0.658
  161   1HG   PRO  24          1HG       PRO  24  -1.773  -0.604   2.896
  162   2HG   PRO  24          2HG       PRO  24  -1.587  -0.907   1.152
  163   1HD   PRO  24          1HD       PRO  24   0.562  -1.012   2.901
  164   2HD   PRO  24          2HD       PRO  24   0.746  -0.445   1.212
  165    H    CYS  25           H        CYS  25  -2.553   3.481   3.046
  166    HA   CYS  25           HA       CYS  25  -2.758   3.128   6.066
  167   1HB   CYS  25          1HB       CYS  25  -1.317   4.976   6.035
  168   2HB   CYS  25          2HB       CYS  25  -1.991   5.650   4.555
  169    H    ARG  26           H        ARG  26  -4.752   3.526   6.855
  170    HA   ARG  26           HA       ARG  26  -7.106   4.230   5.144
  171   1HB   ARG  26          1HB       ARG  26  -6.684   1.745   4.673
  172   2HB   ARG  26          2HB       ARG  26  -6.884   1.410   6.387
  173   1HG   ARG  26          1HG       ARG  26  -9.285   2.291   6.247
  174   2HG   ARG  26          2HG       ARG  26  -9.035   2.619   4.538
  175   1HD   ARG  26          1HD       ARG  26 -10.228   0.523   4.692
  176   2HD   ARG  26          2HD       ARG  26  -8.600   0.157   4.115
  177   1HH1  ARG  26          2HH2      ARG  26  -9.543  -1.844   4.074
  178   2HH1  ARG  26          1HH2      ARG  26  -9.463  -3.444   4.969
  179   1HH2  ARG  26          1HH1      ARG  26  -8.716  -1.972   7.992
  180   2HH2  ARG  26          2HH1      ARG  26  -9.026  -3.509   7.038
  181    H    CYS  27           H        CYS  27  -8.593   5.224   6.557
  182    HA   CYS  27           HA       CYS  27  -7.463   5.835   9.049
  183   1HB   CYS  27          1HB       CYS  27 -10.180   6.528   7.873
  184   2HB   CYS  27          2HB       CYS  27 -10.003   6.947   9.529
  185    H    SER  28           H        SER  28  -8.669   6.013  11.042
  186    HA   SER  28           HA       SER  28  -9.214   3.430  12.438
  187   1HB   SER  28          1HB       SER  28  -7.969   5.705  13.200
  188   2HB   SER  28          2HB       SER  28  -9.595   6.309  13.512
  189    HG   SER  28           HG       SER  28  -8.630   5.329  15.287
  190    H    MET  29           H        MET  29 -10.922   4.195  14.205
  191    HA   MET  29           HA       MET  29 -13.390   2.877  13.175
  192   1HB   MET  29          1HB       MET  29 -14.104   2.910  15.518
  193   2HB   MET  29          2HB       MET  29 -12.403   2.512  15.409
  194   1HG   MET  29          1HG       MET  29 -12.417   3.779  17.322
  195   2HG   MET  29          2HG       MET  29 -11.958   5.019  16.147
  196   1HE   MET  29          1HE       MET  29 -12.744   6.930  17.856
  197   2HE   MET  29          3HE       MET  29 -14.347   6.961  18.647
  198   3HE   MET  29          2HE       MET  29 -13.174   5.675  19.061
  199    H    ILE  30           H        ILE  30 -12.778   6.024  14.313
  200    HA   ILE  30           HA       ILE  30 -15.612   7.084  13.968
  201    HB   ILE  30           HB       ILE  30 -14.002   7.918  15.796
  202   1HG1  ILE  30          1HG1      ILE  30 -14.949  10.192  13.907
  203   2HG1  ILE  30          2HG1      ILE  30 -16.046   9.229  14.882
  204   1HG2  ILE  30          3HG2      ILE  30 -11.868   8.095  14.322
  205   2HG2  ILE  30          1HG2      ILE  30 -12.567   9.538  13.550
  206   3HG2  ILE  30          2HG2      ILE  30 -12.190   9.541  15.282
  207   1HD1  ILE  30          1HD1      ILE  30 -14.910  10.003  17.004
  208   2HD1  ILE  30          2HD1      ILE  30 -13.846  11.055  16.031
  209   3HD1  ILE  30          3HD1      ILE  30 -15.601  11.335  16.045
  210    H    GLY  31           H        GLY  31 -12.625   7.445  12.100
  211   1HA   GLY  31          1HA       GLY  31 -13.176   7.383   9.469
  212   2HA   GLY  31          2HA       GLY  31 -14.244   8.732   9.781
  213    H    THR  32           H        THR  32 -12.393   9.975  11.687
  214    HA   THR  32           HA       THR  32 -10.279  11.114   9.747
  215    HB   THR  32           HB       THR  32 -10.216  13.159  11.202
  216    HG1  THR  32           HG1      THR  32 -12.592  12.023  12.302
  217   1HG2  THR  32          1HG2      THR  32 -11.647  13.192   9.106
  218   2HG2  THR  32          2HG2      THR  32 -13.053  12.626  10.045
  219   3HG2  THR  32          3HG2      THR  32 -12.337  14.219  10.381
  220    H    ASN  33           H        ASN  33  -8.264  11.614  10.700
  221    HA   ASN  33           HA       ASN  33  -6.301  11.334  11.998
  222   1HB   ASN  33          1HB       ASN  33  -8.185  10.254  14.241
  223   2HB   ASN  33          2HB       ASN  33  -6.474  10.223  14.360
  224   1HD2  ASN  33          1HD2      ASN  33  -6.262  13.741  15.169
  225   2HD2  ASN  33          2HD2      ASN  33  -5.361  12.201  14.742
  226    H    CYS  34           H        CYS  34  -6.289   9.956  10.122
  227    HA   CYS  34           HA       CYS  34  -7.107   7.290  10.110
  228   1HB   CYS  34          1HB       CYS  34  -4.813   8.470   8.494
  229   2HB   CYS  34          2HB       CYS  34  -5.301   6.812   8.208
  230    H    GLU  35           H        GLU  35  -5.804   5.286   9.830
  231    HA   GLU  35           HA       GLU  35  -3.181   5.178  11.442
  232   1HB   GLU  35          1HB       GLU  35  -4.948   2.701  11.432
  233   2HB   GLU  35          2HB       GLU  35  -3.534   2.992  12.328
  234   1HG   GLU  35          1HG       GLU  35  -4.466   4.639  13.813
  235   2HG   GLU  35          2HG       GLU  35  -6.030   4.594  13.001
  236    HE2  GLU  35           HE2      GLU  35  -7.112   1.672  14.483
  237    H    CYS  36           H        CYS  36  -2.212   3.096  10.952
  238    HA   CYS  36           HA       CYS  36  -1.656   3.009   7.921
  239   1HB   CYS  36          1HB       CYS  36   0.248   3.535   9.520
  240   2HB   CYS  36          2HB       CYS  36   0.109   1.908  10.220
  241    H    THR  37           H        THR  37  -1.867   1.111   6.794
  242    HA   THR  37           HA       THR  37  -2.895  -1.446   8.198
  243    HB   THR  37           HB       THR  37  -3.487  -2.223   5.884
  244    HG1  THR  37           HG1      THR  37  -2.296  -0.621   4.745
  245   1HG2  THR  37          3HG2      THR  37  -4.957   0.291   6.949
  246   2HG2  THR  37          1HG2      THR  37  -5.646  -0.894   5.808
  247   3HG2  THR  37          2HG2      THR  37  -5.244  -1.387   7.467
  248    HA   PRO  38           HA       PRO  38   1.551  -2.570   7.419
  249   1HB   PRO  38          1HB       PRO  38   0.529  -5.216   8.624
  250   2HB   PRO  38          2HB       PRO  38   1.998  -4.309   9.032
  251   1HG   PRO  38          1HG       PRO  38  -0.163  -4.183  10.678
  252   2HG   PRO  38          2HG       PRO  38   0.748  -2.697  10.313
  253   1HD   PRO  38          1HD       PRO  38  -1.926  -3.564   9.080
  254   2HD   PRO  38          2HD       PRO  38  -1.388  -1.976   9.655
  255    H    ARG  39           H        ARG  39  -1.082  -4.723   6.442
  256    HA   ARG  39           HA       ARG  39  -1.220  -6.608   4.953
  257   1HB   ARG  39          1HB       ARG  39  -0.663  -6.042   2.618
  258   2HB   ARG  39          2HB       ARG  39  -1.546  -4.755   3.384
  259   1HG   ARG  39          1HG       ARG  39   0.413  -3.305   3.483
  260   2HG   ARG  39          2HG       ARG  39   1.509  -4.578   2.996
  261   1HD   ARG  39          1HD       ARG  39  -0.735  -3.445   1.200
  262   2HD   ARG  39          2HD       ARG  39   0.944  -2.893   1.213
  263   1HH1  ARG  39          2HH2      ARG  39   0.568  -2.671  -0.900
  264   2HH1  ARG  39          1HH2      ARG  39   1.032  -3.452  -2.494
  265   1HH2  ARG  39          1HH1      ARG  39   1.304  -6.602  -1.128
  266   2HH2  ARG  39          2HH1      ARG  39   1.421  -5.529  -2.612
  267    H    LEU  40           H        LEU  40   0.269  -7.638   6.509
  268    HA   LEU  40           HA       LEU  40   3.043  -8.336   5.497
  269   1HB   LEU  40          1HB       LEU  40   3.360  -9.408   7.604
  270   2HB   LEU  40          2HB       LEU  40   2.649  -7.868   7.883
  271    HG   LEU  40           HG       LEU  40   1.822  -9.166   9.541
  272   1HD1  LEU  40          1HD1      LEU  40  -0.070  -7.883   8.564
  273   2HD1  LEU  40          2HD1      LEU  40  -0.572  -9.316   7.630
  274   3HD1  LEU  40          3HD1      LEU  40  -0.608  -9.348   9.407
  275   1HD2  LEU  40          3HD2      LEU  40   2.509 -11.404   8.785
  276   2HD2  LEU  40          1HD2      LEU  40   0.895 -11.420   9.512
  277   3HD2  LEU  40          2HD2      LEU  40   1.069 -11.537   7.753
  278    H    ILE  41           H        ILE  41  -0.074 -10.007   5.860
  279    HA   ILE  41           HA       ILE  41  -1.039 -11.874   4.751
  280    HB   ILE  41           HB       ILE  41   1.290 -11.563   2.683
  281   1HG1  ILE  41          1HG1      ILE  41   0.260  -9.364   2.825
  282   2HG1  ILE  41          2HG1      ILE  41  -0.230 -10.129   1.345
  283   1HG2  ILE  41          1HG2      ILE  41  -1.566 -12.777   2.443
  284   2HG2  ILE  41          2HG2      ILE  41  -0.419 -12.569   1.096
  285   3HG2  ILE  41          3HG2      ILE  41  -0.037 -13.682   2.414
  286   1HD1  ILE  41          1HD1      ILE  41  -2.019  -9.795   3.850
  287   2HD1  ILE  41          2HD1      ILE  41  -2.110  -8.862   2.341
  288   3HD1  ILE  41          3HD1      ILE  41  -2.536 -10.588   2.337
  289    H    MET  42           H        MET  42  -0.719 -13.340   6.298
  290    HA   MET  42           HA       MET  42  -0.062 -15.331   7.410
  291   1HB   MET  42          1HB       MET  42  -0.349 -16.128   4.965
  292   2HB   MET  42          2HB       MET  42   1.376 -15.942   4.704
  293   1HG   MET  42          1HG       MET  42   1.823 -17.678   6.491
  294   2HG   MET  42          2HG       MET  42   0.087 -17.833   6.792
  295   1HE   MET  42          1HE       MET  42  -1.330 -19.610   5.608
  296   2HE   MET  42          3HE       MET  42  -1.639 -18.267   4.462
  297   3HE   MET  42          2HE       MET  42  -1.247 -19.899   3.845
  298    H    GLU  43           H        GLU  43   3.012 -15.444   5.692
  299    HA   GLU  43           HA       GLU  43   5.265 -15.080   6.291
  300   1HB   GLU  43          1HB       GLU  43   4.261 -13.414   8.720
  301   2HB   GLU  43          2HB       GLU  43   5.901 -13.502   8.145
  302   1HG   GLU  43          1HG       GLU  43   3.557 -12.250   6.595
  303   2HG   GLU  43          2HG       GLU  43   4.779 -11.389   7.506
  304    HE2  GLU  43           HE2      GLU  43   5.499 -12.714   3.781
  305    H    GLY  44           H        GLY  44   6.642 -16.327   7.309
  306   1HA   GLY  44          1HA       GLY  44   7.653 -17.590   9.141
  307   2HA   GLY  44          2HA       GLY  44   6.166 -17.520  10.060
  308    H    LEU  45           H        LEU  45   7.993 -19.304   7.752
  309    HA   LEU  45           HA       LEU  45   5.893 -21.187   6.828
  310   1HB   LEU  45          1HB       LEU  45   7.676 -22.311   5.704
  311   2HB   LEU  45          2HB       LEU  45   7.995 -20.626   5.577
  312    HG   LEU  45           HG       LEU  45  10.045 -21.653   5.704
  313   1HD1  LEU  45          3HD1      LEU  45  10.028 -19.622   7.152
  314   2HD1  LEU  45          1HD1      LEU  45   9.770 -20.642   8.590
  315   3HD1  LEU  45          2HD1      LEU  45  11.267 -20.794   7.643
  316   1HD2  LEU  45          3HD2      LEU  45   9.358 -23.905   6.556
  317   2HD2  LEU  45          1HD2      LEU  45  10.897 -23.329   7.221
  318   3HD2  LEU  45          2HD2      LEU  45   9.437 -23.292   8.225
  319    H    SER  46           H        SER  46   7.814 -21.241   9.779
  320    HA   SER  46           HA       SER  46   6.939 -24.115  10.404
  321   1HB   SER  46          1HB       SER  46   8.278 -23.868  12.478
  322   2HB   SER  46          2HB       SER  46   9.255 -23.594  11.042
  323    HG   SER  46           HG       SER  46   9.633 -22.072  12.666
  324    H    PHE  47           H        PHE  47   4.873 -24.140  10.898
  325    HA   PHE  47           HA       PHE  47   3.488 -21.799  12.293
  326   1HB   PHE  47          1HB       PHE  47   2.352 -24.242  10.771
  327   2HB   PHE  47          2HB       PHE  47   1.379 -23.024  11.545
  328    HD1  PHE  47           HD2      PHE  47   1.415 -20.596  10.697
  329    HD2  PHE  47           HD1      PHE  47   3.349 -23.789   8.554
  330    HE1  PHE  47           HE2      PHE  47   1.450 -19.221   8.656
  331    HE2  PHE  47           HE1      PHE  47   3.379 -22.398   6.527
  332    HZ   PHE  47           HZ       PHE  47   2.432 -20.119   6.569
  333    H    ALA  48           H        ALA  48   3.092 -25.349  12.489
  334    HA   ALA  48           HA       ALA  48   2.389 -25.144  15.454
  335   1HB   ALA  48          1HB       ALA  48   2.320 -27.587  13.543
  336   2HB   ALA  48          2HB       ALA  48   1.733 -27.551  15.224
  337   3HB   ALA  48          3HB       ALA  48   0.931 -26.564  13.989
  338    HXT  ALA  48           HO       ALA  48   5.441 -26.004  16.668
   
  No H/Q in entry =         338
  Start of MODEL          15
 Raw file had  348 H/Q atoms
  Start of MODEL   15
    1   1H    GLU   1          2H        GLU   1  13.763   5.424  11.837
    2   2H    GLU   1          3H        GLU   1  13.087   5.725  13.314
    3   3H    GLU   1          1H        GLU   1  12.507   4.496  12.375
    4    HA   GLU   1           HA       GLU   1  11.720   6.057  10.678
    5   1HB   GLU   1          1HB       GLU   1  10.761   6.549  13.587
    6   2HB   GLU   1          2HB       GLU   1   9.974   7.275  12.194
    7   1HG   GLU   1          1HG       GLU   1   9.408   5.064  11.228
    8   2HG   GLU   1          2HG       GLU   1  10.287   4.230  12.504
    9    HE1  GLU   1           HE2      GLU   1   6.733   6.045  13.338
   10    H    ASP   2           H        ASP   2  12.872   7.585   9.742
   11    HA   ASP   2           HA       ASP   2  13.859  10.085  11.218
   12   1HB   ASP   2          1HB       ASP   2  14.276   9.134   8.297
   13   2HB   ASP   2          2HB       ASP   2  14.787  10.695   8.903
   14    HD2  ASP   2           HD2      ASP   2  15.328   7.422   8.883
   15    H    ASN   3           H        ASN   3  11.986   9.359   8.264
   16    HA   ASN   3           HA       ASN   3   9.684  10.989   9.132
   17   1HB   ASN   3          1HB       ASN   3  10.952  12.702   8.429
   18   2HB   ASN   3          2HB       ASN   3  11.357  12.129   6.797
   19   1HD2  ASN   3          1HD2      ASN   3   8.335  13.670   5.503
   20   2HD2  ASN   3          2HD2      ASN   3   9.932  12.822   5.190
   21    H    CYS   4           H        CYS   4   9.507   9.098   9.033
   22    HA   CYS   4           HA       CYS   4   7.574   8.042   6.922
   23   1HB   CYS   4          1HB       CYS   4   8.337   5.927   6.748
   24   2HB   CYS   4          2HB       CYS   4   9.418   6.840   5.879
   25    H    ILE   5           H        ILE   5   6.449   6.035   7.565
   26    HA   ILE   5           HA       ILE   5   6.043   5.973  10.667
   27    HB   ILE   5           HB       ILE   5   3.663   5.338   8.823
   28   1HG1  ILE   5          1HG1      ILE   5   4.077   7.917  10.338
   29   2HG1  ILE   5          2HG1      ILE   5   4.566   7.807   8.665
   30   1HG2  ILE   5          3HG2      ILE   5   3.872   5.833  11.868
   31   2HG2  ILE   5          1HG2      ILE   5   2.375   5.586  10.961
   32   3HG2  ILE   5          2HG2      ILE   5   3.531   4.291  11.046
   33   1HD1  ILE   5          3HD1      ILE   5   1.768   7.105   9.507
   34   2HD1  ILE   5          1HD1      ILE   5   2.234   8.718   8.942
   35   3HD1  ILE   5          2HD1      ILE   5   2.364   7.302   7.857
   36    H    ALA   6           H        ALA   6   7.376   4.211  10.932
   37    HA   ALA   6           HA       ALA   6   7.308   1.892   8.985
   38   1HB   ALA   6          2HB       ALA   6   9.505   2.744  10.020
   39   2HB   ALA   6          3HB       ALA   6   8.947   2.223  11.635
   40   3HB   ALA   6          1HB       ALA   6   9.261   1.022  10.359
   41    H    GLU   7           H        GLU   7   5.251   2.544  11.034
   42    HA   GLU   7           HA       GLU   7   4.906   0.117  12.734
   43   1HB   GLU   7          1HB       GLU   7   3.240   2.676  12.483
   44   2HB   GLU   7          2HB       GLU   7   2.994   1.472  13.729
   45   1HG   GLU   7          1HG       GLU   7   5.250   1.910  14.710
   46   2HG   GLU   7          2HG       GLU   7   5.600   3.095  13.457
   47    HE1  GLU   7           HE2      GLU   7   3.132   3.951  16.537
   48    H    ASP   8           H        ASP   8   3.214  -1.019  13.151
   49    HA   ASP   8           HA       ASP   8   1.208  -1.464  10.896
   50   1HB   ASP   8          1HB       ASP   8   1.844  -3.377  13.147
   51   2HB   ASP   8          2HB       ASP   8   0.537  -3.593  12.024
   52    HD2  ASP   8           HD2      ASP   8   0.942  -5.132  10.921
   53    H    TYR   9           H        TYR   9  -0.446  -0.853  11.391
   54    HA   TYR   9           HA       TYR   9  -2.207   0.745  12.176
   55   1HB   TYR   9          1HB       TYR   9  -1.870  -0.976  14.754
   56   2HB   TYR   9          2HB       TYR   9  -3.247   0.015  14.361
   57    HD1  TYR   9           HD1      TYR   9  -4.656  -0.568  12.219
   58    HD2  TYR   9           HD2      TYR   9  -1.688  -3.259  13.775
   59    HE1  TYR   9           HE1      TYR   9  -5.570  -2.418  10.828
   60    HE2  TYR   9           HE2      TYR   9  -2.605  -5.063  12.325
   61    HH   TYR   9           HH       TYR   9  -4.230  -5.696  11.054
   62    H    GLY  10           H        GLY  10   0.378   1.738  12.248
   63   1HA   GLY  10          1HA       GLY  10   1.165   3.585  14.409
   64   2HA   GLY  10          2HA       GLY  10   1.406   3.809  12.745
   65    H    LYS  11           H        LYS  11   1.112   5.975  13.638
   66    HA   LYS  11           HA       LYS  11  -1.793   6.905  13.049
   67   1HB   LYS  11          1HB       LYS  11   0.345   8.862  13.964
   68   2HB   LYS  11          2HB       LYS  11  -1.357   9.112  13.793
   69   1HG   LYS  11          1HG       LYS  11  -1.841   7.520  15.722
   70   2HG   LYS  11          2HG       LYS  11  -0.113   7.330  15.967
   71   1HD   LYS  11          1HD       LYS  11  -0.836   8.925  17.596
   72   2HD   LYS  11          2HD       LYS  11   0.127   9.794  16.423
   73   1HE   LYS  11          1HE       LYS  11  -1.759  11.194  17.018
   74   2HE   LYS  11          2HE       LYS  11  -2.003  10.706  15.347
   75   1HZ   LYS  11          1HZ       LYS  11  -3.301   9.453  17.710
   76   2HZ   LYS  11          2HZ       LYS  11  -3.538   8.983  16.162
   77    H    CYS  12           H        CYS  12  -1.994   7.799  11.238
   78    HA   CYS  12           HA       CYS  12   0.170   9.074   9.515
   79   1HB   CYS  12          1HB       CYS  12  -0.490   7.932   7.380
   80   2HB   CYS  12          2HB       CYS  12   0.064   6.737   8.490
   81    H    THR  13           H        THR  13  -0.854  10.034   7.518
   82    HA   THR  13           HA       THR  13  -3.785  10.879   7.965
   83    HB   THR  13           HB       THR  13  -3.580  13.105   8.336
   84    HG1  THR  13           HG1      THR  13  -1.949  14.442   7.480
   85   1HG2  THR  13          2HG2      THR  13  -1.941  12.371  10.187
   86   2HG2  THR  13          3HG2      THR  13  -0.579  12.617   9.055
   87   3HG2  THR  13          1HG2      THR  13  -1.557  13.999   9.582
   88    H    TRP  14           H        TRP  14  -4.768  11.718   6.269
   89    HA   TRP  14           HA       TRP  14  -3.762  11.119   3.461
   90   1HB   TRP  14          1HB       TRP  14  -6.399  12.414   4.403
   91   2HB   TRP  14          2HB       TRP  14  -5.978  12.138   2.729
   92    HD1  TRP  14           HD1      TRP  14  -4.821   8.875   3.554
   93    HE1  TRP  14           HE1      TRP  14  -6.680   7.028   3.498
   94    HE3  TRP  14           HE3      TRP  14  -8.822  12.031   4.130
   95    HZ2  TRP  14           HZ2      TRP  14  -9.531   7.094   3.712
   96    HZ3  TRP  14           HZ3      TRP  14 -11.090  11.061   4.234
   97    HH2  TRP  14           HH2      TRP  14 -11.441   8.633   4.024
   98    H    GLY  15           H        GLY  15  -2.214  12.491   2.924
   99   1HA   GLY  15          1HA       GLY  15  -1.251  14.658   2.184
  100   2HA   GLY  15          2HA       GLY  15  -2.501  15.538   3.060
  101    H    GLY  16           H        GLY  16   0.091  13.214   3.588
  102   1HA   GLY  16          1HA       GLY  16   1.333  14.498   6.079
  103   2HA   GLY  16          2HA       GLY  16   0.281  13.145   6.351
  104    H    THR  17           H        THR  17   2.118  12.320   7.177
  105    HA   THR  17           HA       THR  17   4.109  10.985   5.299
  106    HB   THR  17           HB       THR  17   3.790   9.920   8.174
  107    HG1  THR  17           HG1      THR  17   5.183  12.282   7.360
  108   1HG2  THR  17          2HG2      THR  17   5.459   8.846   6.639
  109   2HG2  THR  17          3HG2      THR  17   6.293  10.388   6.408
  110   3HG2  THR  17          1HG2      THR  17   6.225   9.624   8.015
  111    H    LYS  18           H        LYS  18   4.064   8.979   4.759
  112    HA   LYS  18           HA       LYS  18   1.616   7.104   5.068
  113   1HB   LYS  18          1HB       LYS  18   3.602   6.604   2.871
  114   2HB   LYS  18          2HB       LYS  18   1.970   6.106   3.053
  115   1HG   LYS  18          1HG       LYS  18   1.092   8.417   2.519
  116   2HG   LYS  18          2HG       LYS  18   2.742   8.968   2.274
  117   1HD   LYS  18          1HD       LYS  18   1.877   8.548   0.106
  118   2HD   LYS  18          2HD       LYS  18   3.052   7.276   0.415
  119   1HE   LYS  18          1HE       LYS  18   1.142   5.661   0.950
  120   2HE   LYS  18          2HE       LYS  18  -0.027   6.960   0.677
  121   1HZ   LYS  18          1HZ       LYS  18   1.883   5.925  -1.346
  122   2HZ   LYS  18          2HZ       LYS  18   0.805   7.126  -1.605
  123    H    CYS  19           H        CYS  19   2.524   4.885   4.644
  124    HA   CYS  19           HA       CYS  19   4.198   4.543   7.169
  125   1HB   CYS  19          1HB       CYS  19   2.425   2.490   5.726
  126   2HB   CYS  19          2HB       CYS  19   3.252   2.279   7.290
  127    H    CYS  20           H        CYS  20   6.068   3.814   7.214
  128    HA   CYS  20           HA       CYS  20   7.903   4.593   5.556
  129   1HB   CYS  20          1HB       CYS  20   8.187   3.721   7.967
  130   2HB   CYS  20          2HB       CYS  20   8.629   2.142   7.327
  131    H    ARG  21           H        ARG  21   7.172   1.122   5.656
  132    HA   ARG  21           HA       ARG  21   9.394   0.416   3.683
  133   1HB   ARG  21          1HB       ARG  21   7.468  -1.412   5.289
  134   2HB   ARG  21          2HB       ARG  21   8.821  -2.002   4.359
  135   1HG   ARG  21          1HG       ARG  21  10.470  -1.152   5.857
  136   2HG   ARG  21          2HG       ARG  21   9.368  -0.079   6.691
  137   1HD   ARG  21          1HD       ARG  21   9.140  -3.160   6.774
  138   2HD   ARG  21          2HD       ARG  21   9.973  -2.179   7.980
  139   1HH1  ARG  21          2HH2      ARG  21   7.836  -4.391   7.783
  140   2HH1  ARG  21          1HH2      ARG  21   6.220  -4.558   8.635
  141   1HH2  ARG  21          1HH1      ARG  21   5.874  -1.162   9.106
  142   2HH2  ARG  21          2HH1      ARG  21   5.182  -2.846   9.336
  143    H    GLY  22           H        GLY  22   7.178   1.665   2.928
  144   1HA   GLY  22          1HA       GLY  22   5.798   1.926   0.806
  145   2HA   GLY  22          2HA       GLY  22   6.335   0.339   0.307
  146    H    ARG  23           H        ARG  23   4.675   1.671   3.016
  147    HA   ARG  23           HA       ARG  23   2.693  -0.651   3.121
  148   1HB   ARG  23          1HB       ARG  23   3.826   1.134   5.278
  149   2HB   ARG  23          2HB       ARG  23   2.470   0.035   5.565
  150   1HG   ARG  23          1HG       ARG  23   5.420  -0.404   5.097
  151   2HG   ARG  23          2HG       ARG  23   4.470  -0.809   6.501
  152   1HD   ARG  23          1HD       ARG  23   4.369  -2.293   3.775
  153   2HD   ARG  23          2HD       ARG  23   5.262  -2.818   5.204
  154   1HH1  ARG  23          2HH2      ARG  23   4.527  -4.834   4.458
  155   2HH1  ARG  23          1HH2      ARG  23   3.289  -6.122   4.874
  156   1HH2  ARG  23          1HH1      ARG  23   1.083  -3.861   6.252
  157   2HH2  ARG  23          2HH1      ARG  23   1.465  -5.604   5.824
  158    HA   PRO  24           HA       PRO  24  -0.514   2.645   2.320
  159   1HB   PRO  24          1HB       PRO  24  -2.723   1.023   2.252
  160   2HB   PRO  24          2HB       PRO  24  -1.468   0.909   1.015
  161   1HG   PRO  24          1HG       PRO  24  -1.794  -0.865   3.496
  162   2HG   PRO  24          2HG       PRO  24  -1.607  -1.387   1.802
  163   1HD   PRO  24          1HD       PRO  24   0.533  -1.211   3.567
  164   2HD   PRO  24          2HD       PRO  24   0.739  -0.917   1.813
  165    H    CYS  25           H        CYS  25  -2.830   2.868   3.394
  166    HA   CYS  25           HA       CYS  25  -2.566   2.712   6.446
  167   1HB   CYS  25          1HB       CYS  25  -2.500   5.197   4.788
  168   2HB   CYS  25          2HB       CYS  25  -3.779   5.228   6.049
  169    H    ARG  26           H        ARG  26  -4.364   2.192   7.466
  170    HA   ARG  26           HA       ARG  26  -7.054   2.104   5.997
  171   1HB   ARG  26          1HB       ARG  26  -7.793   0.226   7.140
  172   2HB   ARG  26          2HB       ARG  26  -6.184  -0.213   6.690
  173   1HG   ARG  26          1HG       ARG  26  -6.215  -1.069   8.827
  174   2HG   ARG  26          2HG       ARG  26  -5.524   0.494   9.197
  175   1HD   ARG  26          1HD       ARG  26  -7.987   1.277   9.748
  176   2HD   ARG  26          2HD       ARG  26  -8.489  -0.388   9.493
  177   1HH1  ARG  26          2HH2      ARG  26  -9.553   1.017  11.287
  178   2HH1  ARG  26          1HH2      ARG  26  -9.691   0.906  13.113
  179   1HH2  ARG  26          1HH1      ARG  26  -6.623  -0.619  13.474
  180   2HH2  ARG  26          2HH1      ARG  26  -8.141   0.039  14.267
  181    H    CYS  27           H        CYS  27  -8.230   3.773   6.789
  182    HA   CYS  27           HA       CYS  27  -6.997   5.406   8.820
  183   1HB   CYS  27          1HB       CYS  27  -9.762   5.808   7.525
  184   2HB   CYS  27          2HB       CYS  27  -8.903   7.026   8.413
  185    H    SER  28           H        SER  28  -8.301   6.487  10.533
  186    HA   SER  28           HA       SER  28  -9.534   4.804  12.652
  187   1HB   SER  28          1HB       SER  28  -9.313   7.864  12.102
  188   2HB   SER  28          2HB       SER  28 -10.008   7.242  13.577
  189    HG   SER  28           HG       SER  28  -7.831   7.632  13.805
  190    H    MET  29           H        MET  29 -11.581   5.877  13.607
  191    HA   MET  29           HA       MET  29 -13.783   4.504  12.181
  192   1HB   MET  29          1HB       MET  29 -13.664   6.279  14.733
  193   2HB   MET  29          2HB       MET  29 -15.159   5.601  14.152
  194   1HG   MET  29          1HG       MET  29 -14.229   3.247  14.375
  195   2HG   MET  29          2HG       MET  29 -12.708   3.927  14.975
  196   1HE   MET  29          3HE       MET  29 -16.242   2.703  15.899
  197   2HE   MET  29          2HE       MET  29 -16.727   3.713  17.293
  198   3HE   MET  29          1HE       MET  29 -16.700   4.417  15.650
  199    H    ILE  30           H        ILE  30 -12.954   7.871  12.493
  200    HA   ILE  30           HA       ILE  30 -15.572   8.910  11.306
  201    HB   ILE  30           HB       ILE  30 -14.292  11.209  11.236
  202   1HG1  ILE  30          1HG1      ILE  30 -12.232   9.830  13.087
  203   2HG1  ILE  30          2HG1      ILE  30 -11.917  10.156  11.399
  204   1HG2  ILE  30          2HG2      ILE  30 -15.946  10.492  13.047
  205   2HG2  ILE  30          3HG2      ILE  30 -14.614   9.782  13.992
  206   3HG2  ILE  30          1HG2      ILE  30 -14.682  11.536  13.704
  207   1HD1  ILE  30          3HD1      ILE  30 -12.248  12.631  11.758
  208   2HD1  ILE  30          1HD1      ILE  30 -12.486  12.327  13.500
  209   3HD1  ILE  30          2HD1      ILE  30 -10.929  11.943  12.733
  210    H    GLY  31           H        GLY  31 -12.183   8.758  10.192
  211   1HA   GLY  31          1HA       GLY  31 -12.227   7.779   7.594
  212   2HA   GLY  31          2HA       GLY  31 -13.079   9.290   7.309
  213    H    THR  32           H        THR  32 -11.734  10.980   8.947
  214    HA   THR  32           HA       THR  32  -8.983  11.311   7.608
  215    HB   THR  32           HB       THR  32  -8.985  13.616   8.655
  216    HG1  THR  32           HG1      THR  32 -11.696  12.947   9.232
  217   1HG2  THR  32          1HG2      THR  32  -9.803  13.339   6.271
  218   2HG2  THR  32          2HG2      THR  32 -11.470  13.103   6.858
  219   3HG2  THR  32          3HG2      THR  32 -10.651  14.663   7.100
  220    H    ASN  33           H        ASN  33  -7.221  11.863   8.993
  221    HA   ASN  33           HA       ASN  33  -5.662  11.520  10.761
  222   1HB   ASN  33          1HB       ASN  33  -8.180  11.150  12.583
  223   2HB   ASN  33          2HB       ASN  33  -6.571  10.954  13.148
  224   1HD2  ASN  33          1HD2      ASN  33  -7.996  14.751  12.786
  225   2HD2  ASN  33          2HD2      ASN  33  -8.981  13.269  12.338
  226    H    CYS  34           H        CYS  34  -5.705   9.773   9.060
  227    HA   CYS  34           HA       CYS  34  -6.783   7.151   9.580
  228   1HB   CYS  34          1HB       CYS  34  -4.426   7.936   7.784
  229   2HB   CYS  34          2HB       CYS  34  -5.261   6.406   7.674
  230    H    GLU  35           H        GLU  35  -5.339   5.164   9.445
  231    HA   GLU  35           HA       GLU  35  -2.893   5.316  11.290
  232   1HB   GLU  35          1HB       GLU  35  -4.530   2.745  11.309
  233   2HB   GLU  35          2HB       GLU  35  -3.354   3.203  12.404
  234   1HG   GLU  35          1HG       GLU  35  -4.655   4.915  13.543
  235   2HG   GLU  35          2HG       GLU  35  -5.992   4.754  12.413
  236    HE2  GLU  35           HE2      GLU  35  -7.528   2.436  14.352
  237    H    CYS  36           H        CYS  36  -1.721   3.213  11.066
  238    HA   CYS  36           HA       CYS  36  -0.918   2.987   8.088
  239   1HB   CYS  36          1HB       CYS  36   0.641   2.127  10.655
  240   2HB   CYS  36          2HB       CYS  36   1.230   1.646   9.166
  241    H    THR  37           H        THR  37  -0.333   0.921   7.181
  242    HA   THR  37           HA       THR  37  -0.609  -1.419   6.578
  243    HB   THR  37           HB       THR  37   0.129  -1.174   9.232
  244    HG1  THR  37           HG1      THR  37   1.004  -2.443   7.694
  245   1HG2  THR  37          3HG2      THR  37  -2.253  -1.859  10.088
  246   2HG2  THR  37          1HG2      THR  37  -2.101  -3.374   9.202
  247   3HG2  THR  37          2HG2      THR  37  -0.998  -3.014  10.537
  248    HA   PRO  38           HA       PRO  38  -4.864  -2.310   5.588
  249   1HB   PRO  38          1HB       PRO  38  -4.956  -5.085   5.462
  250   2HB   PRO  38          2HB       PRO  38  -3.910  -4.114   4.420
  251   1HG   PRO  38          1HG       PRO  38  -3.105  -5.437   7.061
  252   2HG   PRO  38          2HG       PRO  38  -2.332  -5.694   5.499
  253   1HD   PRO  38          1HD       PRO  38  -1.370  -3.848   7.229
  254   2HD   PRO  38          2HD       PRO  38  -1.307  -3.383   5.576
  255    H    ARG  39           H        ARG  39  -6.917  -3.390   6.197
  256    HA   ARG  39           HA       ARG  39  -7.246  -3.651   9.236
  257   1HB   ARG  39          1HB       ARG  39  -8.865  -2.173   7.999
  258   2HB   ARG  39          2HB       ARG  39  -9.354  -3.513   6.985
  259   1HG   ARG  39          1HG       ARG  39 -11.042  -3.135   8.635
  260   2HG   ARG  39          2HG       ARG  39 -10.351  -4.702   8.959
  261   1HD   ARG  39          1HD       ARG  39  -9.660  -2.124  10.538
  262   2HD   ARG  39          2HD       ARG  39 -10.930  -3.262  10.983
  263   1HH1  ARG  39          2HH2      ARG  39 -10.118  -2.544  12.952
  264   2HH1  ARG  39          1HH2      ARG  39  -9.130  -3.176  14.363
  265   1HH2  ARG  39          1HH1      ARG  39  -7.303  -5.338  12.401
  266   2HH2  ARG  39          2HH1      ARG  39  -7.642  -4.653  14.069
  267    H    LEU  40           H        LEU  40  -5.999  -5.516   9.250
  268    HA   LEU  40           HA       LEU  40  -7.326  -8.136   8.971
  269   1HB   LEU  40          1HB       LEU  40  -6.755  -7.765   6.528
  270   2HB   LEU  40          2HB       LEU  40  -5.088  -7.443   6.944
  271    HG   LEU  40           HG       LEU  40  -4.850  -9.843   7.764
  272   1HD1  LEU  40          2HD1      LEU  40  -7.680 -10.247   6.581
  273   2HD1  LEU  40          3HD1      LEU  40  -6.577 -11.544   7.108
  274   3HD1  LEU  40          1HD1      LEU  40  -7.228 -10.405   8.297
  275   1HD2  LEU  40          2HD2      LEU  40  -4.124  -9.182   5.476
  276   2HD2  LEU  40          3HD2      LEU  40  -4.739 -10.845   5.491
  277   3HD2  LEU  40          1HD2      LEU  40  -5.748  -9.532   4.831
  278    H    ILE  41           H        ILE  41  -6.534  -8.957  10.814
  279    HA   ILE  41           HA       ILE  41  -3.615  -8.454  11.685
  280    HB   ILE  41           HB       ILE  41  -4.364  -9.514  13.925
  281   1HG1  ILE  41          1HG1      ILE  41  -6.495 -10.655  13.113
  282   2HG1  ILE  41          2HG1      ILE  41  -6.556  -9.774  14.608
  283   1HG2  ILE  41          3HG2      ILE  41  -5.737  -6.877  12.974
  284   2HG2  ILE  41          1HG2      ILE  41  -5.437  -7.332  14.668
  285   3HG2  ILE  41          2HG2      ILE  41  -4.074  -7.034  13.577
  286   1HD1  ILE  41          1HD1      ILE  41  -7.866  -7.906  13.501
  287   2HD1  ILE  41          2HD1      ILE  41  -7.885  -8.847  11.986
  288   3HD1  ILE  41          3HD1      ILE  41  -8.662  -9.489  13.440
  289    H    MET  42           H        MET  42  -3.215  -9.745   9.784
  290    HA   MET  42           HA       MET  42  -2.189 -12.379  10.570
  291   1HB   MET  42          1HB       MET  42  -4.582 -13.070   9.945
  292   2HB   MET  42          2HB       MET  42  -4.336 -12.457   8.321
  293   1HG   MET  42          1HG       MET  42  -2.478 -14.172   7.989
  294   2HG   MET  42          2HG       MET  42  -2.737 -14.751   9.651
  295   1HE   MET  42          1HE       MET  42  -3.183 -17.234   8.727
  296   2HE   MET  42          3HE       MET  42  -4.378 -17.609   7.450
  297   3HE   MET  42          2HE       MET  42  -2.920 -16.654   7.052
  298    H    GLU  43           H        GLU  43  -0.315 -11.312  10.028
  299    HA   GLU  43           HA       GLU  43   0.114 -10.282   7.158
  300   1HB   GLU  43          1HB       GLU  43   0.745  -8.830   9.816
  301   2HB   GLU  43          2HB       GLU  43   1.285  -8.289   8.236
  302   1HG   GLU  43          1HG       GLU  43  -1.087  -7.981   7.461
  303   2HG   GLU  43          2HG       GLU  43  -1.684  -8.538   9.019
  304    HE1  GLU  43           HE2      GLU  43   0.063  -4.892   8.660
  305    H    GLY  44           H        GLY  44   2.095 -10.425   6.374
  306   1HA   GLY  44          1HA       GLY  44   4.030 -12.397   7.522
  307   2HA   GLY  44          2HA       GLY  44   4.171 -11.600   5.971
  308    H    LEU  45           H        LEU  45   4.906  -9.318   5.977
  309    HA   LEU  45           HA       LEU  45   7.142  -8.819   7.964
  310   1HB   LEU  45          1HB       LEU  45   6.212  -7.266   5.455
  311   2HB   LEU  45          2HB       LEU  45   7.429  -6.662   6.540
  312    HG   LEU  45           HG       LEU  45   8.471  -7.557   4.613
  313   1HD1  LEU  45          2HD1      LEU  45   9.732  -7.769   6.767
  314   2HD1  LEU  45          3HD1      LEU  45   9.153  -9.444   6.950
  315   3HD1  LEU  45          1HD1      LEU  45  10.206  -9.006   5.585
  316   1HD2  LEU  45          3HD2      LEU  45   6.794  -9.282   3.898
  317   2HD2  LEU  45          1HD2      LEU  45   8.465  -9.880   3.851
  318   3HD2  LEU  45          2HD2      LEU  45   7.385 -10.380   5.171
  319    H    SER  46           H        SER  46   6.386  -8.177   9.859
  320    HA   SER  46           HA       SER  46   4.419  -5.859  10.129
  321   1HB   SER  46          1HB       SER  46   2.922  -7.263  11.593
  322   2HB   SER  46          2HB       SER  46   2.976  -7.839   9.934
  323    HG   SER  46           HG       SER  46   3.137  -9.506  11.446
  324    H    PHE  47           H        PHE  47   5.311  -4.560  11.486
  325    HA   PHE  47           HA       PHE  47   5.767  -5.418  14.289
  326   1HB   PHE  47          1HB       PHE  47   7.979  -4.442  14.665
  327   2HB   PHE  47          2HB       PHE  47   8.089  -5.742  13.535
  328    HD1  PHE  47           HD1      PHE  47   8.435  -2.054  13.945
  329    HD2  PHE  47           HD2      PHE  47   8.868  -5.337  11.194
  330    HE1  PHE  47           HE1      PHE  47   9.781  -0.637  12.452
  331    HE2  PHE  47           HE2      PHE  47  10.235  -3.913   9.729
  332    HZ   PHE  47           HZ       PHE  47  10.687  -1.560  10.347
  333    H    ALA  48           H        ALA  48   5.160  -3.843  15.631
  334    HA   ALA  48           HA       ALA  48   4.251  -1.125  14.554
  335   1HB   ALA  48          3HB       ALA  48   3.772  -2.466  17.303
  336   2HB   ALA  48          1HB       ALA  48   3.094  -0.914  16.752
  337   3HB   ALA  48          2HB       ALA  48   2.621  -2.418  15.942
  338    HXT  ALA  48           HO       ALA  48   7.298   0.195  15.458
   
  No H/Q in entry =         338
  Start of MODEL          16
 Raw file had  348 H/Q atoms
  Start of MODEL   16
    1   1H    GLU   1          1H        GLU   1  17.628  10.465   4.777
    2   2H    GLU   1          2H        GLU   1  16.647  10.071   3.507
    3   3H    GLU   1          3H        GLU   1  17.423  11.529   3.530
    4    HA   GLU   1           HA       GLU   1  16.154  12.268   5.466
    5   1HB   GLU   1          1HB       GLU   1  14.497  11.236   3.057
    6   2HB   GLU   1          2HB       GLU   1  13.798  12.225   4.317
    7   1HG   GLU   1          1HG       GLU   1  16.140  13.139   2.529
    8   2HG   GLU   1          2HG       GLU   1  14.448  13.488   2.232
    9    HE1  GLU   1           HE2      GLU   1  14.088  15.882   4.722
   10    H    ASP   2           H        ASP   2  15.747  11.342   7.321
   11    HA   ASP   2           HA       ASP   2  14.193   8.688   7.536
   12   1HB   ASP   2          1HB       ASP   2  14.999   8.530   9.834
   13   2HB   ASP   2          2HB       ASP   2  16.317   8.585   8.701
   14    HD2  ASP   2           HD2      ASP   2  14.945   9.847  11.366
   15    H    ASN   3           H        ASN   3  12.080   9.077   7.644
   16    HA   ASN   3           HA       ASN   3  10.728  10.278   9.727
   17   1HB   ASN   3          1HB       ASN   3   9.519  12.135   8.799
   18   2HB   ASN   3          2HB       ASN   3  11.160  12.567   9.192
   19   1HD2  ASN   3          1HD2      ASN   3   9.941  13.714   5.576
   20   2HD2  ASN   3          2HD2      ASN   3   8.861  13.209   6.970
   21    H    CYS   4           H        CYS   4  10.015   8.478   9.256
   22    HA   CYS   4           HA       CYS   4   7.747   8.021   7.171
   23   1HB   CYS   4          1HB       CYS   4   8.368   5.862   6.967
   24   2HB   CYS   4          2HB       CYS   4   9.568   6.750   6.199
   25    H    ILE   5           H        ILE   5   6.482   5.988   7.636
   26    HA   ILE   5           HA       ILE   5   5.827   5.870  10.696
   27    HB   ILE   5           HB       ILE   5   3.633   5.292   8.595
   28   1HG1  ILE   5          1HG1      ILE   5   4.165   7.804  10.209
   29   2HG1  ILE   5          2HG1      ILE   5   4.404   7.667   8.479
   30   1HG2  ILE   5          2HG2      ILE   5   3.344   4.109  10.813
   31   2HG2  ILE   5          3HG2      ILE   5   3.455   5.659  11.674
   32   3HG2  ILE   5          1HG2      ILE   5   2.120   5.314  10.567
   33   1HD1  ILE   5          2HD1      ILE   5   2.008   7.250   8.142
   34   2HD1  ILE   5          3HD1      ILE   5   1.777   7.404   9.920
   35   3HD1  ILE   5          1HD1      ILE   5   2.277   8.804   8.991
   36    H    ALA   6           H        ALA   6   7.265   4.211  10.974
   37    HA   ALA   6           HA       ALA   6   7.291   1.805   9.126
   38   1HB   ALA   6          2HB       ALA   6   9.457   2.732  10.124
   39   2HB   ALA   6          3HB       ALA   6   8.883   2.354  11.770
   40   3HB   ALA   6          1HB       ALA   6   9.226   1.044  10.613
   41    H    GLU   7           H        GLU   7   5.187   2.547  11.134
   42    HA   GLU   7           HA       GLU   7   4.840   0.208  12.986
   43   1HB   GLU   7          1HB       GLU   7   3.424   2.884  12.635
   44   2HB   GLU   7          2HB       GLU   7   2.890   1.704  13.804
   45   1HG   GLU   7          1HG       GLU   7   4.125   3.169  15.099
   46   2HG   GLU   7          2HG       GLU   7   5.175   1.776  14.932
   47    HE1  GLU   7           HE2      GLU   7   6.063   5.352  13.175
   48    H    ASP   8           H        ASP   8   3.096  -0.817  13.506
   49    HA   ASP   8           HA       ASP   8   1.077  -1.491  11.293
   50   1HB   ASP   8          1HB       ASP   8   1.038  -3.110  13.824
   51   2HB   ASP   8          2HB       ASP   8   0.630  -3.564  12.182
   52    HD1  ASP   8           HD2      ASP   8   2.062  -4.108  10.755
   53    H    TYR   9           H        TYR   9  -0.674  -0.636  11.666
   54    HA   TYR   9           HA       TYR   9  -2.259   1.128  12.317
   55   1HB   TYR   9          1HB       TYR   9  -1.967  -0.412  15.012
   56   2HB   TYR   9          2HB       TYR   9  -3.166   0.814  14.722
   57    HD1  TYR   9           HD2      TYR   9  -4.854   0.537  12.734
   58    HD2  TYR   9           HD1      TYR   9  -2.449  -2.704  14.232
   59    HE1  TYR   9           HE2      TYR   9  -6.393  -1.081  11.723
   60    HE2  TYR   9           HE1      TYR   9  -4.013  -4.312  13.235
   61    HH   TYR   9           HH       TYR   9  -6.860  -3.225  11.387
   62    H    GLY  10           H        GLY  10   0.504   1.921  12.326
   63   1HA   GLY  10          1HA       GLY  10   0.964   3.984  14.464
   64   2HA   GLY  10          2HA       GLY  10   1.770   4.022  13.016
   65    H    LYS  11           H        LYS  11   0.571   5.928  14.322
   66    HA   LYS  11           HA       LYS  11  -1.935   6.803  12.906
   67   1HB   LYS  11          1HB       LYS  11  -1.462   7.624  15.149
   68   2HB   LYS  11          2HB       LYS  11  -0.167   8.687  14.524
   69   1HG   LYS  11          1HG       LYS  11  -1.935   9.920  13.184
   70   2HG   LYS  11          2HG       LYS  11  -3.173   8.841  13.827
   71   1HD   LYS  11          1HD       LYS  11  -2.654   9.634  16.167
   72   2HD   LYS  11          2HD       LYS  11  -1.402  10.704  15.558
   73   1HE   LYS  11          1HE       LYS  11  -4.405  10.912  14.819
   74   2HE   LYS  11          2HE       LYS  11  -3.621  11.831  16.099
   75   1HZ   LYS  11          1HZ       LYS  11  -3.793  13.097  14.075
   76   2HZ   LYS  11          2HZ       LYS  11  -2.944  11.992  13.219
   77    H    CYS  12           H        CYS  12  -2.021   7.751  11.432
   78    HA   CYS  12           HA       CYS  12   0.125   9.048   9.597
   79   1HB   CYS  12          1HB       CYS  12  -0.311   7.467   7.725
   80   2HB   CYS  12          2HB       CYS  12   0.075   6.520   9.149
   81    H    THR  13           H        THR  13  -0.846   9.479   7.411
   82    HA   THR  13           HA       THR  13  -3.738  10.518   7.488
   83    HB   THR  13           HB       THR  13  -1.408  12.217   6.560
   84    HG1  THR  13           HG1      THR  13  -2.810  12.384   9.049
   85   1HG2  THR  13          3HG2      THR  13  -4.196  13.199   7.305
   86   2HG2  THR  13          1HG2      THR  13  -2.775  14.237   6.976
   87   3HG2  THR  13          2HG2      THR  13  -3.397  13.228   5.690
   88    H    TRP  14           H        TRP  14  -4.211  11.353   5.586
   89    HA   TRP  14           HA       TRP  14  -3.315   9.878   2.991
   90   1HB   TRP  14          1HB       TRP  14  -6.106  11.069   3.573
   91   2HB   TRP  14          2HB       TRP  14  -5.569  10.573   1.984
   92    HD1  TRP  14           HD1      TRP  14  -4.186   7.698   2.592
   93    HE1  TRP  14           HE1      TRP  14  -5.653   5.591   3.165
   94    HE3  TRP  14           HE3      TRP  14  -8.303  10.273   4.202
   95    HZ2  TRP  14           HZ2      TRP  14  -8.310   5.266   4.162
   96    HZ3  TRP  14           HZ3      TRP  14 -10.288   8.998   4.933
   97    HH2  TRP  14           HH2      TRP  14 -10.291   6.537   4.917
   98    H    GLY  15           H        GLY  15  -1.642  11.308   2.706
   99   1HA   GLY  15          1HA       GLY  15  -1.216  13.461   1.204
  100   2HA   GLY  15          2HA       GLY  15  -2.233  14.315   2.349
  101    H    GLY  16           H        GLY  16  -1.246  12.864   4.668
  102   1HA   GLY  16          1HA       GLY  16   1.189  14.340   5.568
  103   2HA   GLY  16          2HA       GLY  16   0.372  13.150   6.397
  104    H    THR  17           H        THR  17   2.246  12.379   6.967
  105    HA   THR  17           HA       THR  17   4.077  10.808   5.167
  106    HB   THR  17           HB       THR  17   3.810   9.841   8.088
  107    HG1  THR  17           HG1      THR  17   5.240  11.546   8.643
  108   1HG2  THR  17          2HG2      THR  17   5.491   8.731   6.594
  109   2HG2  THR  17          3HG2      THR  17   6.291  10.276   6.281
  110   3HG2  THR  17          1HG2      THR  17   6.255   9.586   7.921
  111    H    LYS  18           H        LYS  18   4.017   8.782   4.702
  112    HA   LYS  18           HA       LYS  18   1.634   6.888   5.279
  113   1HB   LYS  18          1HB       LYS  18   3.376   6.505   2.847
  114   2HB   LYS  18          2HB       LYS  18   1.847   5.829   3.212
  115   1HG   LYS  18          1HG       LYS  18   2.259   8.724   2.305
  116   2HG   LYS  18          2HG       LYS  18   1.642   7.403   1.339
  117   1HD   LYS  18          1HD       LYS  18   0.264   8.628   3.801
  118   2HD   LYS  18          2HD       LYS  18  -0.151   8.982   2.143
  119   1HE   LYS  18          1HE       LYS  18  -0.467   6.200   3.467
  120   2HE   LYS  18          2HE       LYS  18  -1.748   7.394   3.306
  121   1HZ   LYS  18          1HZ       LYS  18  -0.330   6.086   1.058
  122   2HZ   LYS  18          2HZ       LYS  18  -1.840   5.740   1.578
  123    H    CYS  19           H        CYS  19   2.581   4.734   4.696
  124    HA   CYS  19           HA       CYS  19   4.374   4.336   7.092
  125   1HB   CYS  19          1HB       CYS  19   2.646   2.427   5.481
  126   2HB   CYS  19          2HB       CYS  19   3.927   1.727   6.533
  127    H    CYS  20           H        CYS  20   6.203   3.409   7.160
  128    HA   CYS  20           HA       CYS  20   8.083   4.551   5.738
  129   1HB   CYS  20          1HB       CYS  20   8.250   3.354   7.996
  130   2HB   CYS  20          2HB       CYS  20   8.765   1.882   7.186
  131    H    ARG  21           H        ARG  21   7.420   1.103   5.253
  132    HA   ARG  21           HA       ARG  21   9.669   0.812   3.203
  133   1HB   ARG  21          1HB       ARG  21   9.152  -0.797   5.323
  134   2HB   ARG  21          2HB       ARG  21   7.864  -1.459   4.330
  135   1HG   ARG  21          1HG       ARG  21   9.664  -2.080   2.587
  136   2HG   ARG  21          2HG       ARG  21  10.892  -1.444   3.665
  137   1HD   ARG  21          1HD       ARG  21   8.959  -3.775   4.329
  138   2HD   ARG  21          2HD       ARG  21  10.612  -3.970   3.740
  139   1HH1  ARG  21          2HH2      ARG  21   9.512  -5.509   5.665
  140   2HH1  ARG  21          1HH2      ARG  21   9.958  -5.874   7.407
  141   1HH2  ARG  21          1HH1      ARG  21  11.412  -2.785   7.903
  142   2HH2  ARG  21          2HH1      ARG  21  10.965  -4.426   8.594
  143    H    GLY  22           H        GLY  22   7.351   2.059   2.665
  144   1HA   GLY  22          1HA       GLY  22   6.006   2.589   0.571
  145   2HA   GLY  22          2HA       GLY  22   6.638   1.139  -0.166
  146    H    ARG  23           H        ARG  23   4.796   2.048   2.565
  147    HA   ARG  23           HA       ARG  23   2.865  -0.309   2.282
  148   1HB   ARG  23          1HB       ARG  23   4.076   1.201   4.575
  149   2HB   ARG  23          2HB       ARG  23   2.698   0.111   4.883
  150   1HG   ARG  23          1HG       ARG  23   4.273  -1.744   4.203
  151   2HG   ARG  23          2HG       ARG  23   5.517  -0.491   3.908
  152   1HD   ARG  23          1HD       ARG  23   6.063  -1.506   5.974
  153   2HD   ARG  23          2HD       ARG  23   5.527   0.135   6.310
  154   1HH1  ARG  23          2HH2      ARG  23   6.223  -1.219   8.301
  155   2HH1  ARG  23          1HH2      ARG  23   5.410  -1.882   9.806
  156   1HH2  ARG  23          1HH1      ARG  23   2.366  -2.281   8.244
  157   2HH2  ARG  23          2HH1      ARG  23   3.369  -2.443   9.772
  158    HA   PRO  24           HA       PRO  24  -0.340   3.044   2.134
  159   1HB   PRO  24          1HB       PRO  24  -2.609   1.472   1.858
  160   2HB   PRO  24          2HB       PRO  24  -1.396   1.620   0.579
  161   1HG   PRO  24          1HG       PRO  24  -1.671  -0.628   2.637
  162   2HG   PRO  24          2HG       PRO  24  -1.479  -0.781   0.875
  163   1HD   PRO  24          1HD       PRO  24   0.659  -0.974   2.647
  164   2HD   PRO  24          2HD       PRO  24   0.865  -0.325   0.991
  165    H    CYS  25           H        CYS  25  -2.379   3.577   3.183
  166    HA   CYS  25           HA       CYS  25  -2.598   2.703   6.112
  167   1HB   CYS  25          1HB       CYS  25  -1.891   5.405   5.136
  168   2HB   CYS  25          2HB       CYS  25  -3.399   5.426   6.109
  169    H    ARG  26           H        ARG  26  -4.620   2.783   6.919
  170    HA   ARG  26           HA       ARG  26  -7.001   3.526   5.239
  171   1HB   ARG  26          1HB       ARG  26  -6.661   0.686   6.430
  172   2HB   ARG  26          2HB       ARG  26  -8.230   1.448   6.362
  173   1HG   ARG  26          1HG       ARG  26  -8.323   0.284   4.416
  174   2HG   ARG  26          2HG       ARG  26  -7.868   1.872   3.830
  175   1HD   ARG  26          1HD       ARG  26  -5.398   1.007   3.760
  176   2HD   ARG  26          2HD       ARG  26  -6.030  -0.583   4.220
  177   1HH1  ARG  26          2HH2      ARG  26  -4.338  -0.986   2.756
  178   2HH1  ARG  26          1HH2      ARG  26  -4.115  -1.617   1.047
  179   1HH2  ARG  26          1HH1      ARG  26  -7.114  -0.337  -0.056
  180   2HH2  ARG  26          2HH1      ARG  26  -5.582  -1.273  -0.435
  181    H    CYS  27           H        CYS  27  -8.394   4.627   6.567
  182    HA   CYS  27           HA       CYS  27  -7.139   5.497   8.924
  183   1HB   CYS  27          1HB       CYS  27  -9.862   6.162   7.718
  184   2HB   CYS  27          2HB       CYS  27  -9.602   6.803   9.295
  185    H    SER  28           H        SER  28  -8.326   5.995  10.906
  186    HA   SER  28           HA       SER  28  -9.048   3.666  12.631
  187   1HB   SER  28          1HB       SER  28  -7.690   5.959  13.111
  188   2HB   SER  28          2HB       SER  28  -9.289   6.682  13.280
  189    HG   SER  28           HG       SER  28  -8.275   4.417  14.657
  190    H    MET  29           H        MET  29 -10.747   4.770  14.211
  191    HA   MET  29           HA       MET  29 -13.334   3.559  13.382
  192   1HB   MET  29          1HB       MET  29 -14.075   4.202  15.618
  193   2HB   MET  29          2HB       MET  29 -12.423   3.604  15.688
  194   1HG   MET  29          1HG       MET  29 -11.635   6.041  15.937
  195   2HG   MET  29          2HG       MET  29 -13.342   6.475  16.149
  196   1HE   MET  29          1HE       MET  29 -14.554   6.381  18.414
  197   2HE   MET  29          3HE       MET  29 -14.899   4.682  17.962
  198   3HE   MET  29          2HE       MET  29 -14.306   5.069  19.604
  199    H    ILE  30           H        ILE  30 -12.346   6.763  13.714
  200    HA   ILE  30           HA       ILE  30 -15.009   8.125  13.313
  201    HB   ILE  30           HB       ILE  30 -12.187   9.425  12.994
  202   1HG1  ILE  30          1HG1      ILE  30 -14.025   9.442  15.497
  203   2HG1  ILE  30          2HG1      ILE  30 -12.618   8.412  15.317
  204   1HG2  ILE  30          1HG2      ILE  30 -14.073  10.803  11.961
  205   2HG2  ILE  30          2HG2      ILE  30 -14.982  10.725  13.488
  206   3HG2  ILE  30          3HG2      ILE  30 -13.437  11.606  13.388
  207   1HD1  ILE  30          1HD1      ILE  30 -11.089  10.395  15.120
  208   2HD1  ILE  30          2HD1      ILE  30 -12.476  11.468  15.450
  209   3HD1  ILE  30          3HD1      ILE  30 -11.953  10.291  16.672
  210    H    GLY  31           H        GLY  31 -12.151   7.807  11.257
  211   1HA   GLY  31          1HA       GLY  31 -12.747   7.236   8.668
  212   2HA   GLY  31          2HA       GLY  31 -13.788   8.646   8.749
  213    H    THR  32           H        THR  32 -11.947  10.196  10.369
  214    HA   THR  32           HA       THR  32  -9.656  10.789   8.398
  215    HB   THR  32           HB       THR  32  -9.596  13.130   9.304
  216    HG1  THR  32           HG1      THR  32 -12.136  12.404  10.383
  217   1HG2  THR  32          2HG2      THR  32 -10.814  12.684   7.121
  218   2HG2  THR  32          3HG2      THR  32 -12.338  12.432   8.012
  219   3HG2  THR  32          1HG2      THR  32 -11.554  14.029   8.017
  220    H    ASN  33           H        ASN  33  -7.719  11.424   9.412
  221    HA   ASN  33           HA       ASN  33  -5.895  11.362  10.940
  222   1HB   ASN  33          1HB       ASN  33  -7.964  10.694  13.186
  223   2HB   ASN  33          2HB       ASN  33  -6.264  10.744  13.406
  224   1HD2  ASN  33          1HD2      ASN  33  -8.258  14.271  13.510
  225   2HD2  ASN  33          2HD2      ASN  33  -9.080  12.642  13.319
  226    H    CYS  34           H        CYS  34  -5.771   9.672   9.354
  227    HA   CYS  34           HA       CYS  34  -6.734   7.063   9.770
  228   1HB   CYS  34          1HB       CYS  34  -4.412   7.998   8.041
  229   2HB   CYS  34          2HB       CYS  34  -4.846   6.302   7.995
  230    H    GLU  35           H        GLU  35  -5.361   5.025   9.676
  231    HA   GLU  35           HA       GLU  35  -2.803   5.167  11.373
  232   1HB   GLU  35          1HB       GLU  35  -4.350   2.614  11.823
  233   2HB   GLU  35          2HB       GLU  35  -3.210   3.426  12.810
  234   1HG   GLU  35          1HG       GLU  35  -4.833   5.129  13.593
  235   2HG   GLU  35          2HG       GLU  35  -6.089   4.421  12.576
  236    HE1  GLU  35           HE2      GLU  35  -4.888   2.587  15.985
  237    H    CYS  36           H        CYS  36  -1.712   2.975  11.246
  238    HA   CYS  36           HA       CYS  36  -1.037   2.668   8.303
  239   1HB   CYS  36          1HB       CYS  36   0.907   2.771  10.257
  240   2HB   CYS  36          2HB       CYS  36   0.436   1.133  10.585
  241    H    THR  37           H        THR  37  -1.004   0.695   7.151
  242    HA   THR  37           HA       THR  37  -2.829  -1.532   8.122
  243    HB   THR  37           HB       THR  37  -2.404  -2.602   5.913
  244    HG1  THR  37           HG1      THR  37  -0.994  -0.181   5.391
  245   1HG2  THR  37          2HG2      THR  37  -4.341  -0.995   6.174
  246   2HG2  THR  37          3HG2      THR  37  -3.296   0.367   5.697
  247   3HG2  THR  37          1HG2      THR  37  -3.661  -0.924   4.531
  248    HA   PRO  38           HA       PRO  38   0.954  -3.788   9.753
  249   1HB   PRO  38          1HB       PRO  38  -1.066  -6.111   9.679
  250   2HB   PRO  38          2HB       PRO  38   0.033  -5.646  10.983
  251   1HG   PRO  38          1HG       PRO  38  -2.644  -5.056  11.079
  252   2HG   PRO  38          2HG       PRO  38  -1.459  -3.908  11.725
  253   1HD   PRO  38          1HD       PRO  38  -2.959  -3.750   9.099
  254   2HD   PRO  38          2HD       PRO  38  -2.450  -2.447  10.190
  255    H    ARG  39           H        ARG  39  -1.068  -5.700   7.559
  256    HA   ARG  39           HA       ARG  39  -0.686  -7.061   5.670
  257   1HB   ARG  39          1HB       ARG  39   0.485  -5.938   3.826
  258   2HB   ARG  39          2HB       ARG  39  -0.569  -4.827   4.643
  259   1HG   ARG  39          1HG       ARG  39   1.258  -3.550   5.568
  260   2HG   ARG  39          2HG       ARG  39   2.469  -4.754   5.175
  261   1HD   ARG  39          1HD       ARG  39   0.791  -3.329   3.002
  262   2HD   ARG  39          2HD       ARG  39   2.266  -2.630   3.666
  263   1HH1  ARG  39          2HH2      ARG  39   1.968  -2.273   1.294
  264   2HH1  ARG  39          1HH2      ARG  39   2.884  -2.734  -0.227
  265   1HH2  ARG  39          1HH1      ARG  39   3.962  -5.739   1.063
  266   2HH2  ARG  39          2HH1      ARG  39   3.938  -4.565  -0.347
  267    H    LEU  40           H        LEU  40   0.300  -8.736   5.035
  268    HA   LEU  40           HA       LEU  40   1.851 -10.416   4.472
  269   1HB   LEU  40          1HB       LEU  40   3.020  -8.234   3.526
  270   2HB   LEU  40          2HB       LEU  40   4.142  -8.344   4.858
  271    HG   LEU  40           HG       LEU  40   3.651 -10.558   2.759
  272   1HD1  LEU  40          3HD1      LEU  40   4.554  -8.487   1.691
  273   2HD1  LEU  40          1HD1      LEU  40   5.908  -8.450   2.847
  274   3HD1  LEU  40          2HD1      LEU  40   5.765  -9.781   1.671
  275   1HD2  LEU  40          3HD2      LEU  40   5.938 -10.305   4.830
  276   2HD2  LEU  40          1HD2      LEU  40   4.686 -11.571   4.778
  277   3HD2  LEU  40          2HD2      LEU  40   5.895 -11.485   3.495
  278    H    ILE  41           H        ILE  41   1.770 -11.846   6.016
  279    HA   ILE  41           HA       ILE  41   3.651 -11.663   8.440
  280    HB   ILE  41           HB       ILE  41   1.185 -11.978   9.040
  281   1HG1  ILE  41          1HG1      ILE  41   1.485 -14.064  10.482
  282   2HG1  ILE  41          2HG1      ILE  41   2.985 -14.438   9.657
  283   1HG2  ILE  41          1HG2      ILE  41   0.464 -13.379   7.009
  284   2HG2  ILE  41          2HG2      ILE  41   1.394 -14.758   7.642
  285   3HG2  ILE  41          3HG2      ILE  41   0.008 -14.120   8.549
  286   1HD1  ILE  41          1HD1      ILE  41   2.449 -11.883  11.333
  287   2HD1  ILE  41          2HD1      ILE  41   3.336 -13.325  11.882
  288   3HD1  ILE  41          3HD1      ILE  41   4.015 -12.314  10.591
  289    H    MET  42           H        MET  42   5.301 -13.031   8.505
  290    HA   MET  42           HA       MET  42   5.891 -14.840   6.138
  291   1HB   MET  42          1HB       MET  42   7.634 -13.257   7.146
  292   2HB   MET  42          2HB       MET  42   7.634 -14.213   8.621
  293   1HG   MET  42          1HG       MET  42   8.403 -16.240   7.239
  294   2HG   MET  42          2HG       MET  42   8.429 -15.202   5.798
  295   1HE   MET  42          3HE       MET  42  10.969 -16.813   6.716
  296   2HE   MET  42          2HE       MET  42  11.053 -15.652   5.355
  297   3HE   MET  42          1HE       MET  42  12.270 -15.587   6.664
  298    H    GLU  43           H        GLU  43   4.860 -16.695   6.237
  299    HA   GLU  43           HA       GLU  43   5.023 -18.448   8.763
  300   1HB   GLU  43          1HB       GLU  43   2.691 -17.864   8.151
  301   2HB   GLU  43          2HB       GLU  43   2.887 -18.520   6.532
  302   1HG   GLU  43          1HG       GLU  43   1.657 -20.126   7.825
  303   2HG   GLU  43          2HG       GLU  43   3.237 -20.836   7.574
  304    HE2  GLU  43           HE2      GLU  43   4.110 -20.876  10.931
  305    H    GLY  44           H        GLY  44   6.054 -20.185   8.540
  306   1HA   GLY  44          1HA       GLY  44   7.271 -22.086   7.506
  307   2HA   GLY  44          2HA       GLY  44   6.957 -21.441   5.911
  308    H    LEU  45           H        LEU  45   8.906 -21.059   8.818
  309    HA   LEU  45           HA       LEU  45  10.911 -19.199   7.455
  310   1HB   LEU  45          1HB       LEU  45  10.550 -20.128  10.385
  311   2HB   LEU  45          2HB       LEU  45  11.987 -19.319   9.811
  312    HG   LEU  45           HG       LEU  45  10.616 -17.327   9.070
  313   1HD1  LEU  45          1HD1      LEU  45   8.309 -18.691  10.617
  314   2HD1  LEU  45          2HD1      LEU  45   8.343 -16.975  10.140
  315   3HD1  LEU  45          3HD1      LEU  45   8.309 -18.225   8.897
  316   1HD2  LEU  45          1HD2      LEU  45  11.907 -17.349  11.207
  317   2HD2  LEU  45          2HD2      LEU  45  10.424 -16.394  11.376
  318   3HD2  LEU  45          3HD2      LEU  45  10.509 -18.031  12.074
  319    H    SER  46           H        SER  46  11.322 -22.038   9.572
  320    HA   SER  46           HA       SER  46  13.376 -23.269   7.631
  321   1HB   SER  46          1HB       SER  46  12.685 -24.025  10.554
  322   2HB   SER  46          2HB       SER  46  13.796 -24.918   9.511
  323    HG   SER  46           HG       SER  46  15.006 -22.993   9.273
  324    H    PHE  47           H        PHE  47  10.787 -24.584   9.706
  325    HA   PHE  47           HA       PHE  47   9.141 -25.360   7.321
  326   1HB   PHE  47          1HB       PHE  47  10.714 -27.365   7.623
  327   2HB   PHE  47          2HB       PHE  47  10.104 -27.608   9.236
  328    HD1  PHE  47           HD1      PHE  47   9.162 -27.633   5.591
  329    HD2  PHE  47           HD2      PHE  47   7.942 -28.775   9.558
  330    HE1  PHE  47           HE1      PHE  47   7.363 -29.025   4.650
  331    HE2  PHE  47           HE2      PHE  47   6.149 -30.158   8.598
  332    HZ   PHE  47           HZ       PHE  47   5.854 -30.286   6.147
  333    H    ALA  48           H        ALA  48   7.431 -24.264   8.004
  334    HA   ALA  48           HA       ALA  48   6.013 -25.042  10.580
  335   1HB   ALA  48          3HB       ALA  48   6.740 -22.086   9.943
  336   2HB   ALA  48          1HB       ALA  48   5.698 -22.647  11.273
  337   3HB   ALA  48          2HB       ALA  48   7.420 -23.067  11.264
  338    HXT  ALA  48           HO       ALA  48   3.250 -24.920   8.626
   
  No H/Q in entry =         338
  Start of MODEL          17
 Raw file had  348 H/Q atoms
  Start of MODEL   17
    1   1H    GLU   1          2H        GLU   1   8.871  13.080   3.318
    2   2H    GLU   1          3H        GLU   1   7.540  12.333   2.685
    3   3H    GLU   1          1H        GLU   1   7.371  13.730   3.551
    4    HA   GLU   1           HA       GLU   1   6.659  11.865   4.902
    5   1HB   GLU   1          1HB       GLU   1   8.293  10.106   5.513
    6   2HB   GLU   1          2HB       GLU   1   8.025  10.118   3.790
    7   1HG   GLU   1          1HG       GLU   1  10.270  11.200   3.408
    8   2HG   GLU   1          2HG       GLU   1  10.527  11.338   5.143
    9    HE1  GLU   1           HE2      GLU   1  10.868   7.758   3.273
   10    H    ASP   2           H        ASP   2   6.827  12.059   7.076
   11    HA   ASP   2           HA       ASP   2   8.967  13.934   8.288
   12   1HB   ASP   2          1HB       ASP   2   6.196  13.155   9.421
   13   2HB   ASP   2          2HB       ASP   2   7.409  14.094  10.260
   14    HD2  ASP   2           HD2      ASP   2   5.119  14.036   7.855
   15    H    ASN   3           H        ASN   3  10.363  12.117   8.019
   16    HA   ASN   3           HA       ASN   3  11.728  10.366   8.756
   17   1HB   ASN   3          1HB       ASN   3  10.073  10.606  11.358
   18   2HB   ASN   3          2HB       ASN   3  11.559   9.697  11.286
   19   1HD2  ASN   3          1HD2      ASN   3  13.721  12.560  11.623
   20   2HD2  ASN   3          2HD2      ASN   3  13.594  10.815  11.070
   21    H    CYS   4           H        CYS   4   9.036   9.919   7.908
   22    HA   CYS   4           HA       CYS   4   7.619   8.095   7.021
   23   1HB   CYS   4          1HB       CYS   4   8.373   6.002   6.936
   24   2HB   CYS   4          2HB       CYS   4   9.526   6.922   6.131
   25    H    ILE   5           H        ILE   5   6.579   6.002   7.697
   26    HA   ILE   5           HA       ILE   5   5.980   5.998  10.776
   27    HB   ILE   5           HB       ILE   5   3.814   5.264   8.683
   28   1HG1  ILE   5          1HG1      ILE   5   4.070   7.740  10.401
   29   2HG1  ILE   5          2HG1      ILE   5   4.419   7.682   8.685
   30   1HG2  ILE   5          2HG2      ILE   5   3.605   3.998  10.885
   31   2HG2  ILE   5          3HG2      ILE   5   3.512   5.557  11.749
   32   3HG2  ILE   5          1HG2      ILE   5   2.282   5.073  10.576
   33   1HD1  ILE   5          2HD1      ILE   5   2.108   7.067   8.165
   34   2HD1  ILE   5          3HD1      ILE   5   1.721   7.089   9.913
   35   3HD1  ILE   5          1HD1      ILE   5   2.181   8.588   9.102
   36    H    ALA   6           H        ALA   6   7.320   4.303  11.287
   37    HA   ALA   6           HA       ALA   6   7.751   2.036   9.313
   38   1HB   ALA   6          2HB       ALA   6   9.678   2.983  10.713
   39   2HB   ALA   6          3HB       ALA   6   8.874   2.446  12.215
   40   3HB   ALA   6          1HB       ALA   6   9.475   1.252  11.038
   41    H    GLU   7           H        GLU   7   5.321   2.506  11.005
   42    HA   GLU   7           HA       GLU   7   4.775  -0.194  12.327
   43   1HB   GLU   7          1HB       GLU   7   3.467   2.572  12.629
   44   2HB   GLU   7          2HB       GLU   7   2.997   1.177  13.568
   45   1HG   GLU   7          1HG       GLU   7   5.264   1.061  14.643
   46   2HG   GLU   7          2HG       GLU   7   5.782   2.474  13.729
   47    HE2  GLU   7           HE2      GLU   7   3.813   2.932  17.108
   48    H    ASP   8           H        ASP   8   2.944  -1.036  12.619
   49    HA   ASP   8           HA       ASP   8   0.856  -0.945  10.375
   50   1HB   ASP   8          1HB       ASP   8  -0.062  -3.114  11.486
   51   2HB   ASP   8          2HB       ASP   8   1.226  -3.125  10.287
   52    HD2  ASP   8           HD2      ASP   8   3.103  -3.822  10.744
   53    H    TYR   9           H        TYR   9  -0.811  -0.175  11.100
   54    HA   TYR   9           HA       TYR   9  -2.368   1.267  12.326
   55   1HB   TYR   9          1HB       TYR   9  -1.615  -0.451  14.809
   56   2HB   TYR   9          2HB       TYR   9  -3.051   0.498  14.581
   57    HD1  TYR   9           HD2      TYR   9  -4.713  -0.173  12.646
   58    HD2  TYR   9           HD1      TYR   9  -1.530  -2.767  13.936
   59    HE1  TYR   9           HE2      TYR   9  -5.733  -2.057  11.434
   60    HE2  TYR   9           HE1      TYR   9  -2.529  -4.610  12.694
   61    HH   TYR   9           HH       TYR   9  -4.204  -5.278  11.411
   62    H    GLY  10           H        GLY  10   0.429   2.104  12.092
   63   1HA   GLY  10          1HA       GLY  10   0.971   3.970  14.430
   64   2HA   GLY  10          2HA       GLY  10   1.854   4.009  12.999
   65    H    LYS  11           H        LYS  11   0.725   5.995  14.199
   66    HA   LYS  11           HA       LYS  11  -1.843   6.877  12.858
   67   1HB   LYS  11          1HB       LYS  11  -0.041   8.883  14.250
   68   2HB   LYS  11          2HB       LYS  11  -1.720   9.048  13.919
   69   1HG   LYS  11          1HG       LYS  11  -0.520   7.151  16.005
   70   2HG   LYS  11          2HG       LYS  11  -1.369   8.643  16.329
   71   1HD   LYS  11          1HD       LYS  11  -2.679   6.134  15.059
   72   2HD   LYS  11          2HD       LYS  11  -2.657   6.512  16.761
   73   1HE   LYS  11          1HE       LYS  11  -4.807   7.182  16.086
   74   2HE   LYS  11          2HE       LYS  11  -3.933   8.697  16.294
   75   1HZ   LYS  11          1HZ       LYS  11  -5.257   8.655  14.287
   76   2HZ   LYS  11          2HZ       LYS  11  -4.500   7.322  13.719
   77    H    CYS  12           H        CYS  12  -2.017   7.809  11.231
   78    HA   CYS  12           HA       CYS  12   0.136   9.115   9.462
   79   1HB   CYS  12          1HB       CYS  12  -0.469   7.684   7.496
   80   2HB   CYS  12          2HB       CYS  12   0.005   6.652   8.821
   81    H    THR  13           H        THR  13  -0.905   9.773   7.358
   82    HA   THR  13           HA       THR  13  -3.868  10.442   7.467
   83    HB   THR  13           HB       THR  13  -3.906  12.703   7.504
   84    HG1  THR  13           HG1      THR  13  -2.771  12.906   5.549
   85   1HG2  THR  13          2HG2      THR  13  -2.362  12.452   9.564
   86   2HG2  THR  13          3HG2      THR  13  -0.941  12.659   8.499
   87   3HG2  THR  13          1HG2      THR  13  -2.081  13.996   8.726
   88    H    TRP  14           H        TRP  14  -4.702  10.906   5.541
   89    HA   TRP  14           HA       TRP  14  -3.223  10.014   3.001
   90   1HB   TRP  14          1HB       TRP  14  -6.176  10.834   3.394
   91   2HB   TRP  14          2HB       TRP  14  -5.461  10.438   1.847
   92    HD1  TRP  14           HD1      TRP  14  -3.812   7.753   2.431
   93    HE1  TRP  14           HE1      TRP  14  -5.004   5.464   2.949
   94    HE3  TRP  14           HE3      TRP  14  -8.250   9.751   4.006
   95    HZ2  TRP  14           HZ2      TRP  14  -7.606   4.787   3.910
   96    HZ3  TRP  14           HZ3      TRP  14 -10.062   8.220   4.695
   97    HH2  TRP  14           HH2      TRP  14  -9.745   5.778   4.653
   98    H    GLY  15           H        GLY  15  -1.863  11.520   2.518
   99   1HA   GLY  15          1HA       GLY  15  -1.178  13.705   1.487
  100   2HA   GLY  15          2HA       GLY  15  -2.584  14.494   2.202
  101    H    GLY  16           H        GLY  16   0.188  12.537   3.161
  102   1HA   GLY  16          1HA       GLY  16   1.207  14.204   5.512
  103   2HA   GLY  16          2HA       GLY  16   0.170  12.883   5.930
  104    H    THR  17           H        THR  17   1.960  12.184   6.945
  105    HA   THR  17           HA       THR  17   4.068  10.657   5.348
  106    HB   THR  17           HB       THR  17   3.655   9.833   8.279
  107    HG1  THR  17           HG1      THR  17   3.637  12.156   8.221
  108   1HG2  THR  17          3HG2      THR  17   6.196  10.255   6.556
  109   2HG2  THR  17          1HG2      THR  17   6.139   9.663   8.224
  110   3HG2  THR  17          2HG2      THR  17   5.430   8.713   6.923
  111    H    LYS  18           H        LYS  18   3.956   8.617   4.953
  112    HA   LYS  18           HA       LYS  18   1.636   6.736   5.731
  113   1HB   LYS  18          1HB       LYS  18   2.990   6.384   3.046
  114   2HB   LYS  18          2HB       LYS  18   1.615   5.622   3.707
  115   1HG   LYS  18          1HG       LYS  18   0.545   6.905   2.170
  116   2HG   LYS  18          2HG       LYS  18   0.265   7.785   3.661
  117   1HD   LYS  18          1HD       LYS  18   2.171   9.398   2.971
  118   2HD   LYS  18          2HD       LYS  18   2.323   8.497   1.464
  119   1HE   LYS  18          1HE       LYS  18  -0.087   9.074   0.887
  120   2HE   LYS  18          2HE       LYS  18  -0.257   9.930   2.427
  121   1HZ   LYS  18          1HZ       LYS  18   0.241  11.414   0.602
  122   2HZ   LYS  18          2HZ       LYS  18   1.638  10.637   0.256
  123    H    CYS  19           H        CYS  19   2.568   4.586   5.050
  124    HA   CYS  19           HA       CYS  19   4.645   4.377   7.211
  125   1HB   CYS  19          1HB       CYS  19   2.829   2.274   6.027
  126   2HB   CYS  19          2HB       CYS  19   4.296   1.713   6.854
  127    H    CYS  20           H        CYS  20   6.386   3.511   7.189
  128    HA   CYS  20           HA       CYS  20   8.197   4.638   5.722
  129   1HB   CYS  20          1HB       CYS  20   8.389   3.529   8.016
  130   2HB   CYS  20          2HB       CYS  20   8.970   2.054   7.245
  131    H    ARG  21           H        ARG  21   7.565   1.179   5.365
  132    HA   ARG  21           HA       ARG  21   9.649   0.833   3.143
  133   1HB   ARG  21          1HB       ARG  21   9.426  -0.729   5.318
  134   2HB   ARG  21          2HB       ARG  21   7.981  -1.386   4.563
  135   1HG   ARG  21          1HG       ARG  21   9.460  -2.151   2.597
  136   2HG   ARG  21          2HG       ARG  21  10.855  -1.452   3.418
  137   1HD   ARG  21          1HD       ARG  21  10.476  -3.029   5.390
  138   2HD   ARG  21          2HD       ARG  21   9.063  -3.697   4.574
  139   1HH1  ARG  21          2HH2      ARG  21  12.592  -3.021   5.048
  140   2HH1  ARG  21          1HH2      ARG  21  13.994  -4.014   4.403
  141   1HH2  ARG  21          1HH1      ARG  21  11.987  -5.881   2.310
  142   2HH2  ARG  21          2HH1      ARG  21  13.671  -5.532   2.951
  143    H    GLY  22           H        GLY  22   7.292   2.090   2.803
  144   1HA   GLY  22          1HA       GLY  22   5.762   2.580   0.863
  145   2HA   GLY  22          2HA       GLY  22   6.385   1.164   0.058
  146    H    ARG  23           H        ARG  23   4.727   1.875   2.958
  147    HA   ARG  23           HA       ARG  23   2.812  -0.492   2.637
  148   1HB   ARG  23          1HB       ARG  23   4.144   0.898   4.965
  149   2HB   ARG  23          2HB       ARG  23   2.749  -0.116   5.290
  150   1HG   ARG  23          1HG       ARG  23   5.253  -1.120   3.808
  151   2HG   ARG  23          2HG       ARG  23   5.259  -0.929   5.541
  152   1HD   ARG  23          1HD       ARG  23   3.119  -2.661   4.133
  153   2HD   ARG  23          2HD       ARG  23   4.685  -3.309   4.608
  154   1HH1  ARG  23          2HH2      ARG  23   5.835  -3.352   6.477
  155   2HH1  ARG  23          1HH2      ARG  23   5.693  -3.690   8.275
  156   1HH2  ARG  23          1HH1      ARG  23   2.341  -2.904   8.378
  157   2HH2  ARG  23          2HH1      ARG  23   3.844  -3.450   9.279
  158    HA   PRO  24           HA       PRO  24  -0.383   2.763   2.371
  159   1HB   PRO  24          1HB       PRO  24  -2.631   1.181   2.014
  160   2HB   PRO  24          2HB       PRO  24  -1.329   1.252   0.818
  161   1HG   PRO  24          1HG       PRO  24  -1.729  -0.865   3.002
  162   2HG   PRO  24          2HG       PRO  24  -1.475  -1.134   1.261
  163   1HD   PRO  24          1HD       PRO  24   0.612  -1.238   3.079
  164   2HD   PRO  24          2HD       PRO  24   0.862  -0.616   1.419
  165    H    CYS  25           H        CYS  25  -2.504   3.349   3.262
  166    HA   CYS  25           HA       CYS  25  -2.742   2.732   6.260
  167   1HB   CYS  25          1HB       CYS  25  -2.237   5.352   4.933
  168   2HB   CYS  25          2HB       CYS  25  -3.687   5.384   5.977
  169    H    ARG  26           H        ARG  26  -4.684   2.783   7.094
  170    HA   ARG  26           HA       ARG  26  -7.204   3.079   5.477
  171   1HB   ARG  26          1HB       ARG  26  -6.643   0.595   5.448
  172   2HB   ARG  26          2HB       ARG  26  -6.660   0.567   7.206
  173   1HG   ARG  26          1HG       ARG  26  -9.105   1.237   7.181
  174   2HG   ARG  26          2HG       ARG  26  -9.065   1.320   5.415
  175   1HD   ARG  26          1HD       ARG  26  -8.452  -1.142   5.311
  176   2HD   ARG  26          2HD       ARG  26  -8.496  -1.229   7.081
  177   1HH1  ARG  26          2HH2      ARG  26  -9.252  -3.214   5.873
  178   2HH1  ARG  26          1HH2      ARG  26 -10.825  -4.151   5.738
  179   1HH2  ARG  26          1HH1      ARG  26 -12.788  -1.343   6.095
  180   2HH2  ARG  26          2HH1      ARG  26 -12.691  -3.160   5.857
  181    H    CYS  27           H        CYS  27  -8.543   4.370   6.757
  182    HA   CYS  27           HA       CYS  27  -7.242   5.447   9.004
  183   1HB   CYS  27          1HB       CYS  27 -10.047   5.941   7.906
  184   2HB   CYS  27          2HB       CYS  27  -9.722   6.681   9.421
  185    H    SER  28           H        SER  28  -8.353   6.014  11.018
  186    HA   SER  28           HA       SER  28  -8.929   3.760  12.904
  187   1HB   SER  28          1HB       SER  28  -7.607   6.094  13.203
  188   2HB   SER  28          2HB       SER  28  -9.212   6.799  13.398
  189    HG   SER  28           HG       SER  28  -8.257   6.147  15.327
  190    H    MET  29           H        MET  29 -10.606   4.922  14.494
  191    HA   MET  29           HA       MET  29 -13.115   3.509  13.729
  192   1HB   MET  29          1HB       MET  29 -11.946   3.878  16.123
  193   2HB   MET  29          2HB       MET  29 -12.790   5.388  16.182
  194   1HG   MET  29          1HG       MET  29 -15.020   4.122  15.933
  195   2HG   MET  29          2HG       MET  29 -14.107   2.605  15.920
  196   1HE   MET  29          3HE       MET  29 -15.806   5.308  18.092
  197   2HE   MET  29          2HE       MET  29 -14.831   5.367  19.590
  198   3HE   MET  29          1HE       MET  29 -14.181   6.062  18.076
  199    H    ILE  30           H        ILE  30 -12.317   6.872  14.095
  200    HA   ILE  30           HA       ILE  30 -15.173   7.886  13.749
  201    HB   ILE  30           HB       ILE  30 -13.442   8.971  15.330
  202   1HG1  ILE  30          1HG1      ILE  30 -15.489  10.190  14.467
  203   2HG1  ILE  30          2HG1      ILE  30 -14.179  11.176  15.042
  204   1HG2  ILE  30          1HG2      ILE  30 -11.379   8.848  13.813
  205   2HG2  ILE  30          2HG2      ILE  30 -12.089  10.072  12.739
  206   3HG2  ILE  30          3HG2      ILE  30 -11.676  10.486  14.411
  207   1HD1  ILE  30          1HD1      ILE  30 -13.575  11.858  12.693
  208   2HD1  ILE  30          2HD1      ILE  30 -14.914  10.869  12.061
  209   3HD1  ILE  30          3HD1      ILE  30 -15.250  12.245  13.120
  210    H    GLY  31           H        GLY  31 -12.232   7.979  11.741
  211   1HA   GLY  31          1HA       GLY  31 -12.954   7.322   9.188
  212   2HA   GLY  31          2HA       GLY  31 -13.952   8.758   9.291
  213    H    THR  32           H        THR  32 -12.105  10.346  10.754
  214    HA   THR  32           HA       THR  32  -9.938  10.944   8.641
  215    HB   THR  32           HB       THR  32  -9.776  13.239   9.652
  216    HG1  THR  32           HG1      THR  32 -12.208  12.471  10.932
  217   1HG2  THR  32          3HG2      THR  32 -11.204  12.907   7.580
  218   2HG2  THR  32          1HG2      THR  32 -12.634  12.605   8.602
  219   3HG2  THR  32          2HG2      THR  32 -11.850  14.201   8.614
  220    H    ASN  33           H        ASN  33  -7.898  11.531   9.482
  221    HA   ASN  33           HA       ASN  33  -5.938  11.405  10.813
  222   1HB   ASN  33          1HB       ASN  33  -7.829  10.850  13.241
  223   2HB   ASN  33          2HB       ASN  33  -6.112  10.807  13.326
  224   1HD2  ASN  33          1HD2      ASN  33  -7.909  14.459  13.425
  225   2HD2  ASN  33          2HD2      ASN  33  -8.849  12.893  13.247
  226    H    CYS  34           H        CYS  34  -6.012   9.701   9.246
  227    HA   CYS  34           HA       CYS  34  -6.875   7.071   9.784
  228   1HB   CYS  34          1HB       CYS  34  -4.650   7.999   7.914
  229   2HB   CYS  34          2HB       CYS  34  -5.039   6.289   7.950
  230    H    GLU  35           H        GLU  35  -5.513   5.068   9.750
  231    HA   GLU  35           HA       GLU  35  -2.849   5.286  11.276
  232   1HB   GLU  35          1HB       GLU  35  -4.358   2.721  11.801
  233   2HB   GLU  35          2HB       GLU  35  -3.127   3.516  12.696
  234   1HG   GLU  35          1HG       GLU  35  -4.699   5.270  13.559
  235   2HG   GLU  35          2HG       GLU  35  -6.031   4.474  12.720
  236    HE1  GLU  35           HE2      GLU  35  -4.360   2.851  16.044
  237    H    CYS  36           H        CYS  36  -1.774   3.081  11.055
  238    HA   CYS  36           HA       CYS  36  -1.418   2.581   8.036
  239   1HB   CYS  36          1HB       CYS  36   0.473   2.231  10.476
  240   2HB   CYS  36          2HB       CYS  36   0.768   1.233   9.155
  241    H    THR  37           H        THR  37  -1.066   0.372   7.313
  242    HA   THR  37           HA       THR  37  -2.399  -1.820   8.962
  243    HB   THR  37           HB       THR  37  -4.249  -0.860   7.782
  244    HG1  THR  37           HG1      THR  37  -4.112  -3.089   7.947
  245   1HG2  THR  37          3HG2      THR  37  -2.796  -1.457   5.072
  246   2HG2  THR  37          1HG2      THR  37  -4.483  -0.922   5.235
  247   3HG2  THR  37          2HG2      THR  37  -3.169   0.175   5.689
  248    HA   PRO  38           HA       PRO  38   1.038  -4.050   6.959
  249   1HB   PRO  38          1HB       PRO  38   0.567  -6.593   7.986
  250   2HB   PRO  38          2HB       PRO  38   1.114  -5.238   8.980
  251   1HG   PRO  38          1HG       PRO  38  -1.704  -6.348   8.707
  252   2HG   PRO  38          2HG       PRO  38  -0.863  -5.844  10.189
  253   1HD   PRO  38          1HD       PRO  38  -2.688  -4.220   8.780
  254   2HD   PRO  38          2HD       PRO  38  -1.451  -3.543   9.817
  255    H    ARG  39           H        ARG  39   1.523  -5.686   5.438
  256    HA   ARG  39           HA       ARG  39  -0.472  -5.955   3.212
  257   1HB   ARG  39          1HB       ARG  39   2.306  -7.282   3.518
  258   2HB   ARG  39          2HB       ARG  39   1.320  -7.302   2.072
  259   1HG   ARG  39          1HG       ARG  39   2.657  -4.855   3.348
  260   2HG   ARG  39          2HG       ARG  39   3.162  -5.673   1.891
  261   1HD   ARG  39          1HD       ARG  39   0.548  -4.049   2.218
  262   2HD   ARG  39          2HD       ARG  39   2.033  -3.488   1.454
  263   1HH1  ARG  39          2HH2      ARG  39   0.252  -2.517   0.363
  264   2HH1  ARG  39          1HH2      ARG  39  -0.532  -2.584  -1.295
  265   1HH2  ARG  39          1HH1      ARG  39   0.241  -5.905  -1.775
  266   2HH2  ARG  39          2HH1      ARG  39  -0.537  -4.373  -2.420
  267    H    LEU  40           H        LEU  40  -2.062  -7.245   3.537
  268    HA   LEU  40           HA       LEU  40  -3.459  -9.129   3.910
  269   1HB   LEU  40          1HB       LEU  40  -2.710 -11.266   3.971
  270   2HB   LEU  40          2HB       LEU  40  -1.237 -10.575   3.426
  271    HG   LEU  40           HG       LEU  40  -0.545 -10.659   6.049
  272   1HD1  LEU  40          1HD1      LEU  40  -2.817 -11.360   6.926
  273   2HD1  LEU  40          2HD1      LEU  40  -2.740 -12.837   5.942
  274   3HD1  LEU  40          3HD1      LEU  40  -1.579 -12.577   7.266
  275   1HD2  LEU  40          1HD2      LEU  40   0.584 -11.943   4.238
  276   2HD2  LEU  40          2HD2      LEU  40   0.394 -12.928   5.700
  277   3HD2  LEU  40          3HD2      LEU  40  -0.682 -13.193   4.304
  278    H    ILE  41           H        ILE  41  -4.755  -8.594   5.498
  279    HA   ILE  41           HA       ILE  41  -3.656  -6.972   7.748
  280    HB   ILE  41           HB       ILE  41  -6.617  -7.498   6.977
  281   1HG1  ILE  41          1HG1      ILE  41  -4.751  -5.125   6.247
  282   2HG1  ILE  41          2HG1      ILE  41  -5.213  -6.389   5.133
  283   1HG2  ILE  41          2HG2      ILE  41  -6.298  -6.635   9.370
  284   2HG2  ILE  41          3HG2      ILE  41  -5.336  -5.274   8.748
  285   3HG2  ILE  41          1HG2      ILE  41  -7.066  -5.420   8.354
  286   1HD1  ILE  41          3HD1      ILE  41  -7.647  -5.726   5.304
  287   2HD1  ILE  41          1HD1      ILE  41  -7.168  -4.344   6.328
  288   3HD1  ILE  41          2HD1      ILE  41  -6.585  -4.452   4.657
  289    H    MET  42           H        MET  42  -2.878  -8.131   9.356
  290    HA   MET  42           HA       MET  42  -4.665  -9.840  11.082
  291   1HB   MET  42          1HB       MET  42  -3.664 -11.448   9.344
  292   2HB   MET  42          2HB       MET  42  -2.052 -11.023   9.889
  293   1HG   MET  42          1HG       MET  42  -2.720 -13.145  10.898
  294   2HG   MET  42          2HG       MET  42  -2.637 -11.959  12.203
  295   1HE   MET  42          3HE       MET  42  -4.284 -12.741  13.993
  296   2HE   MET  42          2HE       MET  42  -4.869 -11.102  13.569
  297   3HE   MET  42          1HE       MET  42  -6.036 -12.435  13.804
  298    H    GLU  43           H        GLU  43  -4.354  -8.795  12.915
  299    HA   GLU  43           HA       GLU  43  -1.665  -7.568  13.675
  300   1HB   GLU  43          1HB       GLU  43  -3.771  -6.261  13.763
  301   2HB   GLU  43          2HB       GLU  43  -4.461  -7.289  14.997
  302   1HG   GLU  43          1HG       GLU  43  -1.801  -5.725  15.364
  303   2HG   GLU  43          2HG       GLU  43  -3.355  -4.956  15.572
  304    HE1  GLU  43           HE2      GLU  43  -4.233  -6.624  18.521
  305    H    GLY  44           H        GLY  44  -0.502  -8.276  15.215
  306   1HA   GLY  44          1HA       GLY  44  -0.934 -11.090  16.307
  307   2HA   GLY  44          2HA       GLY  44   0.586 -10.228  16.285
  308    H    LEU  45           H        LEU  45   1.240  -9.334  18.156
  309    HA   LEU  45           HA       LEU  45  -0.590  -9.383  20.611
  310   1HB   LEU  45          1HB       LEU  45   2.473  -9.126  20.342
  311   2HB   LEU  45          2HB       LEU  45   1.615  -9.056  21.865
  312    HG   LEU  45           HG       LEU  45   1.632 -11.512  20.010
  313   1HD1  LEU  45          2HD1      LEU  45   3.894 -11.045  20.969
  314   2HD1  LEU  45          3HD1      LEU  45   3.215 -11.001  22.614
  315   3HD1  LEU  45          1HD1      LEU  45   3.201 -12.516  21.677
  316   1HD2  LEU  45          2HD2      LEU  45   0.538 -11.224  22.893
  317   2HD2  LEU  45          3HD2      LEU  45  -0.426 -11.522  21.425
  318   3HD2  LEU  45          1HD2      LEU  45   0.701 -12.758  22.001
  319    H    SER  46           H        SER  46   2.002  -7.192  19.477
  320    HA   SER  46           HA       SER  46   0.746  -4.816  20.830
  321   1HB   SER  46          1HB       SER  46   2.680  -3.540  19.926
  322   2HB   SER  46          2HB       SER  46   3.232  -5.014  20.708
  323    HG   SER  46           HG       SER  46   4.226  -4.615  18.705
  324    H    PHE  47           H        PHE  47  -0.481  -3.294  19.952
  325    HA   PHE  47           HA       PHE  47  -1.707  -3.665  17.237
  326   1HB   PHE  47          1HB       PHE  47  -2.986  -2.984  19.333
  327   2HB   PHE  47          2HB       PHE  47  -2.112  -1.477  19.396
  328    HD1  PHE  47           HD1      PHE  47  -4.354  -3.529  17.115
  329    HD2  PHE  47           HD2      PHE  47  -3.083   0.423  18.248
  330    HE1  PHE  47           HE1      PHE  47  -6.106  -2.548  15.693
  331    HE2  PHE  47           HE2      PHE  47  -4.867   1.382  16.858
  332    HZ   PHE  47           HZ       PHE  47  -6.372  -0.094  15.567
  333    H    ALA  48           H        ALA  48  -0.435  -0.588  18.542
  334    HA   ALA  48           HA       ALA  48   0.458   0.329  15.839
  335   1HB   ALA  48          3HB       ALA  48   0.989   1.569  18.633
  336   2HB   ALA  48          1HB       ALA  48   1.274   2.358  17.061
  337   3HB   ALA  48          2HB       ALA  48  -0.378   1.951  17.554
  338    HXT  ALA  48           HO       ALA  48   3.750  -0.662  18.072
   
  No H/Q in entry =         338
  Start of MODEL          18
 Raw file had  348 H/Q atoms
  Start of MODEL   18
    1   1H    GLU   1          3H        GLU   1  14.006   4.096  11.305
    2   2H    GLU   1          1H        GLU   1  13.664   4.541  12.860
    3   3H    GLU   1          2H        GLU   1  12.815   3.316  12.145
    4    HA   GLU   1           HA       GLU   1  11.834   4.825  10.526
    5   1HB   GLU   1          1HB       GLU   1  10.760   4.360  12.835
    6   2HB   GLU   1          2HB       GLU   1  11.494   5.833  13.450
    7   1HG   GLU   1          1HG       GLU   1  10.192   7.163  11.677
    8   2HG   GLU   1          2HG       GLU   1   9.487   5.660  11.096
    9    HE2  GLU   1           HE2      GLU   1   8.176   7.469  14.450
   10    H    ASP   2           H        ASP   2  12.465   6.437   9.296
   11    HA   ASP   2           HA       ASP   2  13.544   9.036  10.457
   12   1HB   ASP   2          1HB       ASP   2  15.415   9.182   8.856
   13   2HB   ASP   2          2HB       ASP   2  15.633   7.879   9.985
   14    HD1  ASP   2           HD2      ASP   2  15.396   5.842   9.310
   15    H    ASN   3           H        ASN   3  11.961  10.252   9.812
   16    HA   ASN   3           HA       ASN   3  10.472  11.562   8.532
   17   1HB   ASN   3          1HB       ASN   3  12.062  10.496   6.116
   18   2HB   ASN   3          2HB       ASN   3  11.000  11.883   6.030
   19   1HD2  ASN   3          1HD2      ASN   3  14.806  12.718   6.921
   20   2HD2  ASN   3          2HD2      ASN   3  14.209  11.096   6.306
   21    H    CYS   4           H        CYS   4  10.195   8.727   8.763
   22    HA   CYS   4           HA       CYS   4   7.741   8.163   6.915
   23   1HB   CYS   4          1HB       CYS   4   8.381   6.022   6.784
   24   2HB   CYS   4          2HB       CYS   4   9.546   6.897   5.947
   25    H    ILE   5           H        ILE   5   6.650   6.055   7.594
   26    HA   ILE   5           HA       ILE   5   6.125   6.106  10.672
   27    HB   ILE   5           HB       ILE   5   3.908   5.157   8.751
   28   1HG1  ILE   5          1HG1      ILE   5   4.102   7.839  10.152
   29   2HG1  ILE   5          2HG1      ILE   5   4.479   7.662   8.463
   30   1HG2  ILE   5          2HG2      ILE   5   3.911   4.247  11.138
   31   2HG2  ILE   5          3HG2      ILE   5   3.730   5.917  11.723
   32   3HG2  ILE   5          1HG2      ILE   5   2.495   5.165  10.694
   33   1HD1  ILE   5          3HD1      ILE   5   1.772   6.962   9.630
   34   2HD1  ILE   5          1HD1      ILE   5   2.169   8.454   8.765
   35   3HD1  ILE   5          2HD1      ILE   5   2.219   6.888   7.908
   36    H    ALA   6           H        ALA   6   7.543   4.478  11.188
   37    HA   ALA   6           HA       ALA   6   7.982   2.118   9.419
   38   1HB   ALA   6          2HB       ALA   6   9.790   2.982  11.042
   39   2HB   ALA   6          3HB       ALA   6   8.766   2.572  12.445
   40   3HB   ALA   6          1HB       ALA   6   9.450   1.288  11.419
   41    H    GLU   7           H        GLU   7   5.639   2.768  11.312
   42    HA   GLU   7           HA       GLU   7   3.805   1.779  12.535
   43   1HB   GLU   7          1HB       GLU   7   2.362   1.377  10.694
   44   2HB   GLU   7          2HB       GLU   7   3.569   2.321   9.958
   45   1HG   GLU   7          1HG       GLU   7   2.847  -0.632   9.611
   46   2HG   GLU   7          2HG       GLU   7   2.843   0.593   8.393
   47    HE1  GLU   7           HE2      GLU   7   6.332   0.312   7.737
   48    H    ASP   8           H        ASP   8   2.525   0.496  13.063
   49    HA   ASP   8           HA       ASP   8   1.896  -2.109  12.315
   50   1HB   ASP   8          1HB       ASP   8   2.281  -2.425  15.271
   51   2HB   ASP   8          2HB       ASP   8   2.215  -3.634  14.024
   52    HD1  ASP   8           HD2      ASP   8   4.255  -1.463  15.588
   53    H    TYR   9           H        TYR   9   0.126  -1.344  12.304
   54    HA   TYR   9           HA       TYR   9  -1.796   0.364  12.349
   55   1HB   TYR   9          1HB       TYR   9  -1.659  -0.617  15.298
   56   2HB   TYR   9          2HB       TYR   9  -2.959   0.334  14.631
   57    HD1  TYR   9           HD1      TYR   9  -4.307  -0.572  12.593
   58    HD2  TYR   9           HD2      TYR   9  -1.646  -3.065  14.879
   59    HE1  TYR   9           HE1      TYR   9  -5.360  -2.579  11.643
   60    HE2  TYR   9           HE2      TYR   9  -2.712  -5.062  13.927
   61    HH   TYR   9           HH       TYR   9  -4.256  -5.849  12.541
   62    H    GLY  10           H        GLY  10   0.748   1.415  12.334
   63   1HA   GLY  10          1HA       GLY  10   1.275   3.609  14.185
   64   2HA   GLY  10          2HA       GLY  10   1.864   3.623  12.563
   65    H    LYS  11           H        LYS  11   1.188   5.751  13.730
   66    HA   LYS  11           HA       LYS  11  -1.663   6.604  12.885
   67   1HB   LYS  11          1HB       LYS  11   0.275   8.579  14.116
   68   2HB   LYS  11          2HB       LYS  11  -1.443   8.704  13.978
   69   1HG   LYS  11          1HG       LYS  11  -1.783   6.805  15.602
   70   2HG   LYS  11          2HG       LYS  11  -0.050   6.705  15.868
   71   1HD   LYS  11          1HD       LYS  11  -1.802   9.180  16.442
   72   2HD   LYS  11          2HD       LYS  11  -1.341   7.994  17.641
   73   1HE   LYS  11          1HE       LYS  11   0.659   9.810  16.125
   74   2HE   LYS  11          2HE       LYS  11   0.012  10.125  17.730
   75   1HZ   LYS  11          1HZ       LYS  11   1.042   8.110  18.533
   76   2HZ   LYS  11          2HZ       LYS  11   2.153   9.116  17.881
   77    H    CYS  12           H        CYS  12  -1.934   7.556  11.232
   78    HA   CYS  12           HA       CYS  12   0.148   8.972   9.445
   79   1HB   CYS  12          1HB       CYS  12  -0.554   7.655   7.423
   80   2HB   CYS  12          2HB       CYS  12  -0.035   6.537   8.656
   81    H    THR  13           H        THR  13  -0.912   9.768   7.427
   82    HA   THR  13           HA       THR  13  -3.866  10.467   7.697
   83    HB   THR  13           HB       THR  13  -3.867  12.716   7.874
   84    HG1  THR  13           HG1      THR  13  -1.360  12.908   6.561
   85   1HG2  THR  13          2HG2      THR  13  -2.252  12.314   9.855
   86   2HG2  THR  13          3HG2      THR  13  -0.868  12.570   8.753
   87   3HG2  THR  13          1HG2      THR  13  -1.979  13.905   9.107
   88    H    TRP  14           H        TRP  14  -4.758  11.042   5.835
   89    HA   TRP  14           HA       TRP  14  -3.363  10.298   3.192
   90   1HB   TRP  14          1HB       TRP  14  -6.316  11.000   3.757
   91   2HB   TRP  14          2HB       TRP  14  -5.657  10.707   2.161
   92    HD1  TRP  14           HD1      TRP  14  -3.770   8.006   3.287
   93    HE1  TRP  14           HE1      TRP  14  -4.985   5.687   3.491
   94    HE3  TRP  14           HE3      TRP  14  -8.538   9.856   3.406
   95    HZ2  TRP  14           HZ2      TRP  14  -7.728   4.921   3.666
   96    HZ3  TRP  14           HZ3      TRP  14 -10.421   8.265   3.582
   97    HH2  TRP  14           HH2      TRP  14 -10.024   5.839   3.711
   98    H    GLY  15           H        GLY  15  -2.042  11.841   2.805
   99   1HA   GLY  15          1HA       GLY  15  -1.436  14.095   1.847
  100   2HA   GLY  15          2HA       GLY  15  -2.803  14.823   2.694
  101    H    GLY  16           H        GLY  16   0.007  12.797   3.379
  102   1HA   GLY  16          1HA       GLY  16   1.146  14.318   5.776
  103   2HA   GLY  16          2HA       GLY  16   0.139  12.963   6.160
  104    H    THR  17           H        THR  17   2.000  12.237   7.047
  105    HA   THR  17           HA       THR  17   4.056  10.852   5.276
  106    HB   THR  17           HB       THR  17   3.709   9.884   8.181
  107    HG1  THR  17           HG1      THR  17   3.736  12.195   8.208
  108   1HG2  THR  17          2HG2      THR  17   5.458   8.794   6.702
  109   2HG2  THR  17          3HG2      THR  17   6.241  10.346   6.426
  110   3HG2  THR  17          1HG2      THR  17   6.185   9.637   8.054
  111    H    LYS  18           H        LYS  18   4.060   8.820   4.818
  112    HA   LYS  18           HA       LYS  18   1.715   6.874   5.342
  113   1HB   LYS  18          1HB       LYS  18   3.438   6.507   2.898
  114   2HB   LYS  18          2HB       LYS  18   1.892   5.860   3.285
  115   1HG   LYS  18          1HG       LYS  18   0.788   8.124   2.984
  116   2HG   LYS  18          2HG       LYS  18   2.311   8.770   2.390
  117   1HD   LYS  18          1HD       LYS  18   0.759   6.413   1.129
  118   2HD   LYS  18          2HD       LYS  18   0.667   8.087   0.598
  119   1HE   LYS  18          1HE       LYS  18   3.141   8.065   0.015
  120   2HE   LYS  18          2HE       LYS  18   3.243   6.372   0.521
  121   1HZ   LYS  18          1HZ       LYS  18   1.482   7.396  -1.635
  122   2HZ   LYS  18          2HZ       LYS  18   1.576   5.833  -1.163
  123    H    CYS  19           H        CYS  19   2.675   4.744   4.771
  124    HA   CYS  19           HA       CYS  19   4.535   4.363   7.137
  125   1HB   CYS  19          1HB       CYS  19   2.686   2.523   5.574
  126   2HB   CYS  19          2HB       CYS  19   3.895   1.819   6.696
  127    H    CYS  20           H        CYS  20   6.329   3.580   7.181
  128    HA   CYS  20           HA       CYS  20   8.202   4.583   5.678
  129   1HB   CYS  20          1HB       CYS  20   8.392   3.594   8.002
  130   2HB   CYS  20          2HB       CYS  20   8.914   2.057   7.309
  131    H    ARG  21           H        ARG  21   7.531   1.102   5.522
  132    HA   ARG  21           HA       ARG  21   9.615   0.628   3.333
  133   1HB   ARG  21          1HB       ARG  21   9.382  -0.752   5.634
  134   2HB   ARG  21          2HB       ARG  21   7.981  -1.516   4.902
  135   1HG   ARG  21          1HG       ARG  21   9.517  -2.379   3.041
  136   2HG   ARG  21          2HG       ARG  21  10.879  -1.573   3.797
  137   1HD   ARG  21          1HD       ARG  21   9.181  -3.806   5.113
  138   2HD   ARG  21          2HD       ARG  21  10.693  -4.078   4.265
  139   1HH1  ARG  21          2HH2      ARG  21  12.757  -3.431   4.532
  140   2HH1  ARG  21          1HH2      ARG  21  14.057  -3.165   5.800
  141   1HH2  ARG  21          1HH1      ARG  21  11.773  -2.581   8.320
  142   2HH2  ARG  21          2HH1      ARG  21  13.532  -2.713   7.812
  143    H    GLY  22           H        GLY  22   7.240   1.809   2.877
  144   1HA   GLY  22          1HA       GLY  22   5.920   2.139   0.739
  145   2HA   GLY  22          2HA       GLY  22   6.503   0.596   0.177
  146    H    ARG  23           H        ARG  23   4.672   1.803   2.766
  147    HA   ARG  23           HA       ARG  23   2.543  -0.415   2.528
  148   1HB   ARG  23          1HB       ARG  23   4.038   0.809   4.847
  149   2HB   ARG  23          2HB       ARG  23   2.346   0.421   5.154
  150   1HG   ARG  23          1HG       ARG  23   3.761  -1.195   6.023
  151   2HG   ARG  23          2HG       ARG  23   2.696  -1.910   4.818
  152   1HD   ARG  23          1HD       ARG  23   4.574  -2.115   3.190
  153   2HD   ARG  23          2HD       ARG  23   5.628  -1.120   4.211
  154   1HH1  ARG  23          2HH2      ARG  23   6.381  -3.348   2.758
  155   2HH1  ARG  23          1HH2      ARG  23   7.233  -4.898   3.246
  156   1HH2  ARG  23          1HH1      ARG  23   5.904  -4.873   6.429
  157   2HH2  ARG  23          2HH1      ARG  23   6.979  -5.707   5.198
  158    HA   PRO  24           HA       PRO  24  -0.411   3.175   2.225
  159   1HB   PRO  24          1HB       PRO  24  -2.694   1.771   1.602
  160   2HB   PRO  24          2HB       PRO  24  -1.319   1.830   0.491
  161   1HG   PRO  24          1HG       PRO  24  -2.008  -0.399   2.483
  162   2HG   PRO  24          2HG       PRO  24  -1.649  -0.565   0.746
  163   1HD   PRO  24          1HD       PRO  24   0.279  -0.915   2.732
  164   2HD   PRO  24          2HD       PRO  24   0.695  -0.300   1.102
  165    H    CYS  25           H        CYS  25  -2.732   3.559   3.087
  166    HA   CYS  25           HA       CYS  25  -2.901   2.781   6.054
  167   1HB   CYS  25          1HB       CYS  25  -2.406   5.478   4.894
  168   2HB   CYS  25          2HB       CYS  25  -3.896   5.461   5.880
  169    H    ARG  26           H        ARG  26  -4.892   3.044   6.996
  170    HA   ARG  26           HA       ARG  26  -7.389   3.192   5.333
  171   1HB   ARG  26          1HB       ARG  26  -6.731   0.711   5.478
  172   2HB   ARG  26          2HB       ARG  26  -6.909   0.769   7.215
  173   1HG   ARG  26          1HG       ARG  26  -9.162   1.410   5.185
  174   2HG   ARG  26          2HG       ARG  26  -8.826  -0.197   5.812
  175   1HD   ARG  26          1HD       ARG  26  -9.278   0.625   8.185
  176   2HD   ARG  26          2HD       ARG  26  -9.713   2.209   7.520
  177   1HH1  ARG  26          2HH2      ARG  26 -11.053   1.702   9.366
  178   2HH1  ARG  26          1HH2      ARG  26 -12.834   1.388   9.676
  179   1HH2  ARG  26          1HH1      ARG  26 -13.335  -0.104   6.613
  180   2HH2  ARG  26          2HH1      ARG  26 -14.037   0.435   8.221
  181    H    CYS  27           H        CYS  27  -8.448   4.755   6.425
  182    HA   CYS  27           HA       CYS  27  -7.295   5.728   8.855
  183   1HB   CYS  27          1HB       CYS  27  -9.973   6.631   7.620
  184   2HB   CYS  27          2HB       CYS  27  -9.070   7.542   8.784
  185    H    SER  28           H        SER  28  -8.608   6.453  10.743
  186    HA   SER  28           HA       SER  28 -10.009   4.380  12.328
  187   1HB   SER  28          1HB       SER  28  -9.604   7.461  12.577
  188   2HB   SER  28          2HB       SER  28 -10.409   6.543  13.825
  189    HG   SER  28           HG       SER  28  -8.605   5.174  13.958
  190    H    MET  29           H        MET  29 -12.024   5.230  13.502
  191    HA   MET  29           HA       MET  29 -14.213   4.298  11.795
  192   1HB   MET  29          1HB       MET  29 -15.532   4.462  13.848
  193   2HB   MET  29          2HB       MET  29 -13.927   3.869  14.217
  194   1HG   MET  29          1HG       MET  29 -14.346   5.187  16.060
  195   2HG   MET  29          2HG       MET  29 -13.419   6.326  15.073
  196   1HE   MET  29          2HE       MET  29 -14.414   8.398  16.443
  197   2HE   MET  29          1HE       MET  29 -16.158   8.638  16.757
  198   3HE   MET  29          3HE       MET  29 -15.302   7.252  17.497
  199    H    ILE  30           H        ILE  30 -13.529   7.351  13.055
  200    HA   ILE  30           HA       ILE  30 -15.981   8.784  11.939
  201    HB   ILE  30           HB       ILE  30 -14.833   9.509  14.138
  202   1HG1  ILE  30          1HG1      ILE  30 -14.801  12.017  13.662
  203   2HG1  ILE  30          2HG1      ILE  30 -14.915  11.706  11.941
  204   1HG2  ILE  30          3HG2      ILE  30 -12.383   9.251  13.372
  205   2HG2  ILE  30          1HG2      ILE  30 -12.572  10.703  12.361
  206   3HG2  ILE  30          2HG2      ILE  30 -12.726  10.814  14.124
  207   1HD1  ILE  30          2HD1      ILE  30 -17.037  10.894  14.055
  208   2HD1  ILE  30          3HD1      ILE  30 -17.123  12.314  12.985
  209   3HD1  ILE  30          1HD1      ILE  30 -17.212  10.682  12.291
  210    H    GLY  31           H        GLY  31 -12.567   8.677  10.999
  211   1HA   GLY  31          1HA       GLY  31 -12.398   8.512   8.287
  212   2HA   GLY  31          2HA       GLY  31 -13.248  10.046   8.310
  213    H    THR  32           H        THR  32 -11.965  11.158  10.540
  214    HA   THR  32           HA       THR  32  -9.231  11.951   9.387
  215    HB   THR  32           HB       THR  32  -9.216  13.732  11.170
  216    HG1  THR  32           HG1      THR  32 -10.704  12.700  12.577
  217   1HG2  THR  32          1HG2      THR  32 -10.112  14.313   8.868
  218   2HG2  THR  32          2HG2      THR  32 -11.760  13.868   9.385
  219   3HG2  THR  32          3HG2      THR  32 -10.929  15.248  10.139
  220    H    ASN  33           H        ASN  33  -7.452  11.949  10.764
  221    HA   ASN  33           HA       ASN  33  -5.840  11.106  12.302
  222   1HB   ASN  33          1HB       ASN  33  -8.309  10.254  14.026
  223   2HB   ASN  33          2HB       ASN  33  -6.683   9.922  14.471
  224   1HD2  ASN  33          1HD2      ASN  33  -8.098  13.663  15.207
  225   2HD2  ASN  33          2HD2      ASN  33  -9.108  12.351  14.416
  226    H    CYS  34           H        CYS  34  -5.992   9.886  10.159
  227    HA   CYS  34           HA       CYS  34  -6.996   7.207  10.023
  228   1HB   CYS  34          1HB       CYS  34  -4.567   8.250   8.468
  229   2HB   CYS  34          2HB       CYS  34  -5.523   6.860   8.020
  230    H    GLU  35           H        GLU  35  -5.774   5.135   9.824
  231    HA   GLU  35           HA       GLU  35  -3.089   5.103  11.323
  232   1HB   GLU  35          1HB       GLU  35  -4.823   2.621  11.674
  233   2HB   GLU  35          2HB       GLU  35  -3.397   3.084  12.487
  234   1HG   GLU  35          1HG       GLU  35  -4.416   4.834  13.805
  235   2HG   GLU  35          2HG       GLU  35  -5.996   4.565  13.046
  236    HE2  GLU  35           HE2      GLU  35  -6.784   1.753  14.875
  237    H    CYS  36           H        CYS  36  -2.156   2.985  10.998
  238    HA   CYS  36           HA       CYS  36  -1.750   2.663   7.982
  239   1HB   CYS  36          1HB       CYS  36   0.103   3.503   9.582
  240   2HB   CYS  36          2HB       CYS  36   0.198   1.851  10.246
  241    H    THR  37           H        THR  37  -1.285   0.713   7.058
  242    HA   THR  37           HA       THR  37  -2.454  -1.822   8.327
  243    HB   THR  37           HB       THR  37  -2.145  -2.880   6.110
  244    HG1  THR  37           HG1      THR  37  -1.728  -1.498   4.336
  245   1HG2  THR  37          2HG2      THR  37  -4.362  -1.726   6.654
  246   2HG2  THR  37          3HG2      THR  37  -3.764  -0.230   5.893
  247   3HG2  THR  37          1HG2      THR  37  -4.002  -1.696   4.913
  248    HA   PRO  38           HA       PRO  38   2.031  -2.694   9.496
  249   1HB   PRO  38          1HB       PRO  38   0.819  -5.515   9.692
  250   2HB   PRO  38          2HB       PRO  38   1.907  -4.696  10.826
  251   1HG   PRO  38          1HG       PRO  38  -0.762  -4.872  11.362
  252   2HG   PRO  38          2HG       PRO  38   0.104  -3.370  11.730
  253   1HD   PRO  38          1HD       PRO  38  -1.752  -3.929   9.382
  254   2HD   PRO  38          2HD       PRO  38  -1.541  -2.434  10.327
  255    H    ARG  39           H        ARG  39   0.418  -5.120   7.475
  256    HA   ARG  39           HA       ARG  39   2.165  -4.527   5.150
  257   1HB   ARG  39          1HB       ARG  39   3.603  -6.203   6.463
  258   2HB   ARG  39          2HB       ARG  39   2.337  -7.410   6.304
  259   1HG   ARG  39          1HG       ARG  39   2.567  -7.242   3.759
  260   2HG   ARG  39          2HG       ARG  39   3.826  -6.026   3.971
  261   1HD   ARG  39          1HD       ARG  39   5.222  -7.735   5.263
  262   2HD   ARG  39          2HD       ARG  39   3.963  -8.951   4.980
  263   1HH1  ARG  39          2HH2      ARG  39   6.250  -9.777   4.945
  264   2HH1  ARG  39          1HH2      ARG  39   7.354 -10.561   3.707
  265   1HH2  ARG  39          1HH1      ARG  39   5.984  -8.833   1.060
  266   2HH2  ARG  39          2HH1      ARG  39   7.212 -10.060   1.655
  267    H    LEU  40           H        LEU  40   0.348  -7.450   6.055
  268    HA   LEU  40           HA       LEU  40  -2.011  -6.591   4.268
  269   1HB   LEU  40          1HB       LEU  40  -0.999  -9.433   4.930
  270   2HB   LEU  40          2HB       LEU  40  -2.634  -9.141   4.418
  271    HG   LEU  40           HG       LEU  40  -1.366  -9.959   2.597
  272   1HD1  LEU  40          2HD1      LEU  40  -3.221  -8.364   2.061
  273   2HD1  LEU  40          3HD1      LEU  40  -2.054  -7.021   1.979
  274   3HD1  LEU  40          1HD1      LEU  40  -1.955  -8.364   0.818
  275   1HD2  LEU  40          2HD2      LEU  40   0.936  -9.135   3.191
  276   2HD2  LEU  40          3HD2      LEU  40   0.519  -8.879   1.484
  277   3HD2  LEU  40          1HD2      LEU  40   0.487  -7.508   2.614
  278    H    ILE  41           H        ILE  41  -3.850  -6.259   5.351
  279    HA   ILE  41           HA       ILE  41  -3.995  -6.756   8.359
  280    HB   ILE  41           HB       ILE  41  -6.364  -5.437   7.964
  281   1HG1  ILE  41          1HG1      ILE  41  -6.132  -3.570   6.336
  282   2HG1  ILE  41          2HG1      ILE  41  -4.725  -4.300   5.599
  283   1HG2  ILE  41          3HG2      ILE  41  -4.383  -4.702   9.359
  284   2HG2  ILE  41          1HG2      ILE  41  -3.581  -4.070   7.900
  285   3HG2  ILE  41          2HG2      ILE  41  -5.094  -3.339   8.488
  286   1HD1  ILE  41          3HD1      ILE  41  -7.570  -5.521   5.578
  287   2HD1  ILE  41          1HD1      ILE  41  -6.830  -4.582   4.259
  288   3HD1  ILE  41          2HD1      ILE  41  -6.151  -6.162   4.696
  289    H    MET  42           H        MET  42  -4.350  -8.843   8.600
  290    HA   MET  42           HA       MET  42  -7.107  -9.909   8.020
  291   1HB   MET  42          1HB       MET  42  -6.465 -11.951   6.941
  292   2HB   MET  42          2HB       MET  42  -5.810 -10.648   5.993
  293   1HG   MET  42          1HG       MET  42  -4.216 -12.582   7.794
  294   2HG   MET  42          2HG       MET  42  -4.267 -12.536   6.030
  295   1HE   MET  42          2HE       MET  42  -1.623 -12.581   5.990
  296   2HE   MET  42          1HE       MET  42  -0.594 -11.336   6.758
  297   3HE   MET  42          3HE       MET  42  -1.504 -12.490   7.777
  298    H    GLU  43           H        GLU  43  -7.782 -10.848   9.794
  299    HA   GLU  43           HA       GLU  43  -5.848 -11.364  12.096
  300   1HB   GLU  43          1HB       GLU  43  -8.924 -11.279  12.136
  301   2HB   GLU  43          2HB       GLU  43  -7.882 -11.403  13.531
  302   1HG   GLU  43          1HG       GLU  43  -8.091  -8.955  11.672
  303   2HG   GLU  43          2HG       GLU  43  -8.797  -9.117  13.267
  304    HE1  GLU  43           HE2      GLU  43  -5.866  -8.548  15.040
  305    H    GLY  44           H        GLY  44  -5.470 -13.278  12.841
  306   1HA   GLY  44          1HA       GLY  44  -6.020 -15.622  13.471
  307   2HA   GLY  44          2HA       GLY  44  -7.121 -15.761  12.121
  308    H    LEU  45           H        LEU  45  -3.741 -15.582  13.023
  309    HA   LEU  45           HA       LEU  45  -1.712 -16.426  12.142
  310   1HB   LEU  45          1HB       LEU  45  -3.185 -18.569  12.343
  311   2HB   LEU  45          2HB       LEU  45  -3.613 -18.395  10.657
  312    HG   LEU  45           HG       LEU  45  -1.106 -18.619  10.075
  313   1HD1  LEU  45          1HD1      LEU  45  -0.840 -19.454  13.043
  314   2HD1  LEU  45          2HD1      LEU  45   0.405 -19.668  11.787
  315   3HD1  LEU  45          3HD1      LEU  45  -0.073 -18.038  12.283
  316   1HD2  LEU  45          1HD2      LEU  45  -2.704 -20.517   9.826
  317   2HD2  LEU  45          2HD2      LEU  45  -1.107 -21.098  10.332
  318   3HD2  LEU  45          3HD2      LEU  45  -2.432 -21.002  11.519
  319    H    SER  46           H        SER  46  -3.142 -17.348   9.051
  320    HA   SER  46           HA       SER  46  -2.165 -14.811   7.683
  321   1HB   SER  46          1HB       SER  46  -0.598 -16.079   6.194
  322   2HB   SER  46          2HB       SER  46  -0.096 -16.186   7.875
  323    HG   SER  46           HG       SER  46  -0.010 -18.174   6.811
  324    H    PHE  47           H        PHE  47  -3.276 -14.382   5.934
  325    HA   PHE  47           HA       PHE  47  -4.803 -16.534   4.385
  326   1HB   PHE  47          1HB       PHE  47  -6.090 -13.885   5.344
  327   2HB   PHE  47          2HB       PHE  47  -6.771 -14.934   4.136
  328    HD1  PHE  47           HD1      PHE  47  -7.368 -17.394   4.777
  329    HD2  PHE  47           HD2      PHE  47  -6.544 -14.351   7.711
  330    HE1  PHE  47           HE1      PHE  47  -8.541 -18.712   6.491
  331    HE2  PHE  47           HE2      PHE  47  -7.737 -15.683   9.402
  332    HZ   PHE  47           HZ       PHE  47  -8.728 -17.860   8.804
  333    H    ALA  48           H        ALA  48  -3.887 -16.394   2.477
  334    HA   ALA  48           HA       ALA  48  -2.695 -13.823   1.372
  335   1HB   ALA  48          3HB       ALA  48  -2.661 -16.727   0.270
  336   2HB   ALA  48          1HB       ALA  48  -1.760 -15.343  -0.395
  337   3HB   ALA  48          2HB       ALA  48  -1.372 -15.951   1.224
  338    HXT  ALA  48           HO       ALA  48  -5.759 -15.334  -0.892
   
  No H/Q in entry =         338
  Start of MODEL          19
 Raw file had  348 H/Q atoms
  Start of MODEL   19
    1   1H    GLU   1          3H        GLU   1  14.276  12.749   2.954
    2   2H    GLU   1          1H        GLU   1  14.333  14.391   2.781
    3   3H    GLU   1          2H        GLU   1  15.124  13.664   4.036
    4    HA   GLU   1           HA       GLU   1  13.106  14.730   4.855
    5   1HB   GLU   1          1HB       GLU   1  11.770  12.825   2.804
    6   2HB   GLU   1          2HB       GLU   1  10.882  13.622   4.082
    7   1HG   GLU   1          1HG       GLU   1  12.395  15.113   1.843
    8   2HG   GLU   1          2HG       GLU   1  10.686  14.730   1.837
    9    HE2  GLU   1           HE2      GLU   1  12.081  17.880   3.870
   10    H    ASP   2           H        ASP   2  13.194  13.922   6.810
   11    HA   ASP   2           HA       ASP   2  13.049  10.876   7.329
   12   1HB   ASP   2          1HB       ASP   2  14.374  13.094   9.031
   13   2HB   ASP   2          2HB       ASP   2  14.099  11.453   9.579
   14    HD2  ASP   2           HD2      ASP   2  15.834  13.445   7.544
   15    H    ASN   3           H        ASN   3  10.890  10.610   7.488
   16    HA   ASN   3           HA       ASN   3   9.501  10.912   9.811
   17   1HB   ASN   3          1HB       ASN   3   9.186  13.065   9.823
   18   2HB   ASN   3          2HB       ASN   3   8.837  13.375   8.109
   19   1HD2  ASN   3          1HD2      ASN   3   5.315  13.359   8.941
   20   2HD2  ASN   3          2HD2      ASN   3   6.681  13.858   7.823
   21    H    CYS   4           H        CYS   4   9.256   9.266   9.161
   22    HA   CYS   4           HA       CYS   4   7.108   8.308   7.077
   23   1HB   CYS   4          1HB       CYS   4   8.039   6.238   7.040
   24   2HB   CYS   4          2HB       CYS   4   9.109   7.276   6.233
   25    H    ILE   5           H        ILE   5   6.161   6.115   7.673
   26    HA   ILE   5           HA       ILE   5   5.406   6.134  10.716
   27    HB   ILE   5           HB       ILE   5   3.490   4.690   8.754
   28   1HG1  ILE   5          1HG1      ILE   5   3.429   7.055   8.005
   29   2HG1  ILE   5          2HG1      ILE   5   2.032   6.478   8.755
   30   1HG2  ILE   5          3HG2      ILE   5   3.159   5.587  11.664
   31   2HG2  ILE   5          1HG2      ILE   5   1.930   4.867  10.614
   32   3HG2  ILE   5          2HG2      ILE   5   3.340   3.928  11.058
   33   1HD1  ILE   5          2HD1      ILE   5   3.137   7.625  10.950
   34   2HD1  ILE   5          3HD1      ILE   5   4.189   8.382   9.714
   35   3HD1  ILE   5          1HD1      ILE   5   2.404   8.632   9.667
   36    H    ALA   6           H        ALA   6   6.934   4.674  11.407
   37    HA   ALA   6           HA       ALA   6   7.874   2.481   9.557
   38   1HB   ALA   6          2HB       ALA   6   9.504   3.726  11.120
   39   2HB   ALA   6          3HB       ALA   6   8.647   3.084  12.548
   40   3HB   ALA   6          1HB       ALA   6   9.540   1.991  11.467
   41    H    GLU   7           H        GLU   7   5.276   2.596  11.225
   42    HA   GLU   7           HA       GLU   7   5.054  -0.374  11.947
   43   1HB   GLU   7          1HB       GLU   7   4.278   2.164  13.572
   44   2HB   GLU   7          2HB       GLU   7   3.444   0.691  13.893
   45   1HG   GLU   7          1HG       GLU   7   5.037   0.702  15.557
   46   2HG   GLU   7          2HG       GLU   7   5.654  -0.482  14.424
   47    HE1  GLU   7           HE2      GLU   7   7.493   3.152  14.835
   48    H    ASP   8           H        ASP   8   3.488  -1.547  11.803
   49    HA   ASP   8           HA       ASP   8   1.091  -0.845  10.129
   50   1HB   ASP   8          1HB       ASP   8   1.496  -3.324  11.830
   51   2HB   ASP   8          2HB       ASP   8   0.216  -3.064  10.684
   52    HD2  ASP   8           HD2      ASP   8   2.691  -4.737  10.953
   53    H    TYR   9           H        TYR   9  -0.630  -0.380  10.935
   54    HA   TYR   9           HA       TYR   9  -2.214   0.979  12.254
   55   1HB   TYR   9          1HB       TYR   9  -1.445  -1.015  14.520
   56   2HB   TYR   9          2HB       TYR   9  -2.895  -0.053  14.435
   57    HD1  TYR   9           HD1      TYR   9  -4.499  -0.433  12.314
   58    HD2  TYR   9           HD2      TYR   9  -1.430  -3.220  13.474
   59    HE1  TYR   9           HE1      TYR   9  -5.436  -2.122  10.789
   60    HE2  TYR   9           HE2      TYR   9  -2.378  -4.891  11.947
   61    HH   TYR   9           HH       TYR   9  -5.239  -4.162   9.953
   62    H    GLY  10           H        GLY  10   0.538   1.880  12.114
   63   1HA   GLY  10          1HA       GLY  10   1.083   3.491  14.620
   64   2HA   GLY  10          2HA       GLY  10   1.996   3.617  13.214
   65    H    LYS  11           H        LYS  11   0.961   5.534  14.561
   66    HA   LYS  11           HA       LYS  11  -1.611   6.618  13.384
   67   1HB   LYS  11          1HB       LYS  11  -0.897   8.896  14.631
   68   2HB   LYS  11          2HB       LYS  11  -1.566   7.525  15.406
   69   1HG   LYS  11          1HG       LYS  11   0.116   8.444  16.855
   70   2HG   LYS  11          2HG       LYS  11   0.656   6.864  16.351
   71   1HD   LYS  11          1HD       LYS  11   2.574   8.332  16.372
   72   2HD   LYS  11          2HD       LYS  11   2.257   7.892  14.716
   73   1HE   LYS  11          1HE       LYS  11   2.851  10.234  14.730
   74   2HE   LYS  11          2HE       LYS  11   1.138  10.172  14.336
   75   1HZ   LYS  11          1HZ       LYS  11   1.654  11.866  15.966
   76   2HZ   LYS  11          2HZ       LYS  11   2.300  10.780  17.003
   77    H    CYS  12           H        CYS  12  -1.835   7.679  11.790
   78    HA   CYS  12           HA       CYS  12   0.353   9.102  10.130
   79   1HB   CYS  12          1HB       CYS  12   0.192   7.587   8.349
   80   2HB   CYS  12          2HB       CYS  12   0.203   6.504   9.708
   81    H    THR  13           H        THR  13  -0.825   9.378   7.929
   82    HA   THR  13           HA       THR  13  -3.677  10.470   8.209
   83    HB   THR  13           HB       THR  13  -2.678  12.383   6.477
   84    HG1  THR  13           HG1      THR  13  -0.771  13.215   7.492
   85   1HG2  THR  13          2HG2      THR  13  -4.048  12.946   8.449
   86   2HG2  THR  13          3HG2      THR  13  -2.615  12.743   9.524
   87   3HG2  THR  13          1HG2      THR  13  -2.646  14.030   8.288
   88    H    TRP  14           H        TRP  14  -4.783  10.475   6.417
   89    HA   TRP  14           HA       TRP  14  -3.851   8.850   3.970
   90   1HB   TRP  14          1HB       TRP  14  -6.025   8.122   5.140
   91   2HB   TRP  14          2HB       TRP  14  -6.771   9.632   4.652
   92    HD1  TRP  14           HD1      TRP  14  -5.261   6.324   3.223
   93    HE1  TRP  14           HE1      TRP  14  -6.138   5.800   0.785
   94    HE3  TRP  14           HE3      TRP  14  -7.694  10.752   2.539
   95    HZ2  TRP  14           HZ2      TRP  14  -7.691   7.305  -1.093
   96    HZ3  TRP  14           HZ3      TRP  14  -8.829  11.175   0.383
   97    HH2  TRP  14           HH2      TRP  14  -8.828   9.480  -1.403
   98    H    GLY  15           H        GLY  15  -2.881  10.240   2.726
   99   1HA   GLY  15          1HA       GLY  15  -2.539  12.218   1.249
  100   2HA   GLY  15          2HA       GLY  15  -3.955  13.020   1.976
  101    H    GLY  16           H        GLY  16  -0.806  11.649   2.752
  102   1HA   GLY  16          1HA       GLY  16  -0.031  13.605   5.062
  103   2HA   GLY  16          2HA       GLY  16  -0.721  12.096   5.352
  104    H    THR  17           H        THR  17   1.003  11.700   6.457
  105    HA   THR  17           HA       THR  17   3.360  10.409   5.003
  106    HB   THR  17           HB       THR  17   2.904   9.631   7.938
  107    HG1  THR  17           HG1      THR  17   4.047  12.091   6.994
  108   1HG2  THR  17          3HG2      THR  17   5.433  10.213   6.258
  109   2HG2  THR  17          1HG2      THR  17   5.402   9.749   7.977
  110   3HG2  THR  17          2HG2      THR  17   4.808   8.630   6.755
  111    H    LYS  18           H        LYS  18   3.457   8.305   4.683
  112    HA   LYS  18           HA       LYS  18   1.352   6.298   5.691
  113   1HB   LYS  18          1HB       LYS  18   2.542   5.837   2.949
  114   2HB   LYS  18          2HB       LYS  18   1.229   5.061   3.743
  115   1HG   LYS  18          1HG       LYS  18  -0.188   7.177   3.646
  116   2HG   LYS  18          2HG       LYS  18   1.031   7.903   2.605
  117   1HD   LYS  18          1HD       LYS  18   0.673   6.119   0.874
  118   2HD   LYS  18          2HD       LYS  18  -0.403   5.253   1.960
  119   1HE   LYS  18          1HE       LYS  18  -1.807   6.394   0.375
  120   2HE   LYS  18          2HE       LYS  18  -2.051   7.170   1.936
  121   1HZ   LYS  18          1HZ       LYS  18  -0.579   8.954   1.224
  122   2HZ   LYS  18          2HZ       LYS  18  -1.839   8.785   0.198
  123    H    CYS  19           H        CYS  19   2.379   4.228   5.129
  124    HA   CYS  19           HA       CYS  19   4.449   4.241   7.197
  125   1HB   CYS  19          1HB       CYS  19   2.922   1.963   5.936
  126   2HB   CYS  19          2HB       CYS  19   4.493   1.478   6.651
  127    H    CYS  20           H        CYS  20   6.304   3.569   7.233
  128    HA   CYS  20           HA       CYS  20   8.020   4.884   5.801
  129   1HB   CYS  20          1HB       CYS  20   8.267   3.915   8.128
  130   2HB   CYS  20          2HB       CYS  20   9.005   2.455   7.463
  131    H    ARG  21           H        ARG  21   7.931   1.337   5.635
  132    HA   ARG  21           HA       ARG  21   9.957   1.216   3.341
  133   1HB   ARG  21          1HB       ARG  21  10.185  -0.185   5.614
  134   2HB   ARG  21          2HB       ARG  21   8.822  -1.131   5.054
  135   1HG   ARG  21          1HG       ARG  21  10.869  -2.333   4.663
  136   2HG   ARG  21          2HG       ARG  21  10.210  -1.931   3.090
  137   1HD   ARG  21          1HD       ARG  21  11.861   0.004   2.896
  138   2HD   ARG  21          2HD       ARG  21  12.505  -0.395   4.499
  139   1HH1  ARG  21          2HH2      ARG  21  14.243   0.276   2.792
  140   2HH1  ARG  21          1HH2      ARG  21  15.665  -0.544   1.971
  141   1HH2  ARG  21          1HH1      ARG  21  14.185  -3.659   2.045
  142   2HH2  ARG  21          2HH1      ARG  21  15.632  -2.633   1.576
  143    H    GLY  22           H        GLY  22   7.415   2.015   3.030
  144   1HA   GLY  22          1HA       GLY  22   6.093   2.162   0.894
  145   2HA   GLY  22          2HA       GLY  22   6.859   0.698   0.352
  146    H    ARG  23           H        ARG  23   4.851   1.654   2.936
  147    HA   ARG  23           HA       ARG  23   2.827  -0.607   2.399
  148   1HB   ARG  23          1HB       ARG  23   4.145   0.395   4.939
  149   2HB   ARG  23          2HB       ARG  23   2.535  -0.260   5.105
  150   1HG   ARG  23          1HG       ARG  23   5.079  -1.668   4.150
  151   2HG   ARG  23          2HG       ARG  23   4.269  -1.801   5.708
  152   1HD   ARG  23          1HD       ARG  23   2.164  -2.702   4.406
  153   2HD   ARG  23          2HD       ARG  23   3.209  -2.833   2.985
  154   1HH1  ARG  23          2HH2      ARG  23   1.787  -4.815   3.164
  155   2HH1  ARG  23          1HH2      ARG  23   2.006  -6.605   3.505
  156   1HH2  ARG  23          1HH1      ARG  23   4.733  -6.097   5.556
  157   2HH2  ARG  23          2HH1      ARG  23   3.571  -7.283   4.775
  158    HA   PRO  24           HA       PRO  24  -0.047   2.934   2.212
  159   1HB   PRO  24          1HB       PRO  24  -2.476   1.612   1.947
  160   2HB   PRO  24          2HB       PRO  24  -1.237   1.622   0.686
  161   1HG   PRO  24          1HG       PRO  24  -1.760  -0.559   2.779
  162   2HG   PRO  24          2HG       PRO  24  -1.552  -0.769   1.024
  163   1HD   PRO  24          1HD       PRO  24   0.528  -1.155   2.818
  164   2HD   PRO  24          2HD       PRO  24   0.826  -0.514   1.172
  165    H    CYS  25           H        CYS  25  -1.712   3.984   3.263
  166    HA   CYS  25           HA       CYS  25  -2.298   3.117   6.157
  167   1HB   CYS  25          1HB       CYS  25  -1.263   5.716   5.230
  168   2HB   CYS  25          2HB       CYS  25  -2.893   5.920   5.930
  169    H    ARG  26           H        ARG  26  -4.352   3.562   6.899
  170    HA   ARG  26           HA       ARG  26  -6.593   4.289   5.092
  171   1HB   ARG  26          1HB       ARG  26  -6.384   1.821   4.610
  172   2HB   ARG  26          2HB       ARG  26  -6.533   1.452   6.323
  173   1HG   ARG  26          1HG       ARG  26  -8.872   2.325   6.362
  174   2HG   ARG  26          2HG       ARG  26  -8.714   2.920   4.717
  175   1HD   ARG  26          1HD       ARG  26 -10.031   0.870   4.713
  176   2HD   ARG  26          2HD       ARG  26  -8.538   0.618   3.814
  177   1HH1  ARG  26          2HH2      ARG  26  -9.873  -1.262   3.642
  178   2HH1  ARG  26          1HH2      ARG  26  -9.793  -3.021   4.159
  179   1HH2  ARG  26          1HH1      ARG  26  -8.094  -2.317   7.072
  180   2HH2  ARG  26          2HH1      ARG  26  -8.853  -3.576   5.973
  181    H    CYS  27           H        CYS  27  -7.964   5.416   6.367
  182    HA   CYS  27           HA       CYS  27  -6.965   6.016   8.968
  183   1HB   CYS  27          1HB       CYS  27  -9.618   6.965   7.748
  184   2HB   CYS  27          2HB       CYS  27  -8.881   7.715   9.106
  185    H    SER  28           H        SER  28  -8.511   6.463  10.803
  186    HA   SER  28           HA       SER  28  -9.786   4.243  12.200
  187   1HB   SER  28          1HB       SER  28 -10.086   7.348  12.395
  188   2HB   SER  28          2HB       SER  28 -10.754   6.270  13.602
  189    HG   SER  28           HG       SER  28  -8.040   6.387  12.855
  190    H    MET  29           H        MET  29 -12.061   4.542  13.084
  191    HA   MET  29           HA       MET  29 -14.024   3.797  10.955
  192   1HB   MET  29          1HB       MET  29 -14.344   4.352  13.997
  193   2HB   MET  29          2HB       MET  29 -15.668   3.845  12.967
  194   1HG   MET  29          1HG       MET  29 -14.497   1.704  12.400
  195   2HG   MET  29          2HG       MET  29 -13.141   2.147  13.449
  196   1HE   MET  29          3HE       MET  29 -13.078   1.689  15.992
  197   2HE   MET  29          2HE       MET  29 -13.981   3.228  16.148
  198   3HE   MET  29          1HE       MET  29 -14.518   1.781  17.049
  199    H    ILE  30           H        ILE  30 -13.554   6.647  12.987
  200    HA   ILE  30           HA       ILE  30 -15.750   8.265  11.611
  201    HB   ILE  30           HB       ILE  30 -14.726  10.273  12.929
  202   1HG1  ILE  30          1HG1      ILE  30 -13.086   8.130  14.448
  203   2HG1  ILE  30          2HG1      ILE  30 -12.393   9.233  13.275
  204   1HG2  ILE  30          1HG2      ILE  30 -16.732   8.883  13.710
  205   2HG2  ILE  30          2HG2      ILE  30 -15.636   7.810  14.615
  206   3HG2  ILE  30          3HG2      ILE  30 -15.804   9.522  15.070
  207   1HD1  ILE  30          2HD1      ILE  30 -13.100  11.222  14.665
  208   2HD1  ILE  30          3HD1      ILE  30 -13.710  10.103  15.914
  209   3HD1  ILE  30          1HD1      ILE  30 -11.982  10.121  15.503
  210    H    GLY  31           H        GLY  31 -12.197   7.996  11.459
  211   1HA   GLY  31          2HA       GLY  31 -10.851   8.329   9.491
  212   2HA   GLY  31          1HA       GLY  31 -12.133   9.119   8.643
  213    H    THR  32           H        THR  32 -10.180   9.537  11.535
  214    HA   THR  32           HA       THR  32  -9.451  12.388  10.905
  215    HB   THR  32           HB       THR  32 -10.803  11.457  13.514
  216    HG1  THR  32           HG1      THR  32 -11.904  13.025  11.403
  217   1HG2  THR  32          1HG2      THR  32 -10.309  14.372  12.508
  218   2HG2  THR  32          2HG2      THR  32 -11.225  13.948  13.976
  219   3HG2  THR  32          3HG2      THR  32  -9.489  13.603  13.892
  220    H    ASN  33           H        ASN  33  -8.974   9.861  12.570
  221    HA   ASN  33           HA       ASN  33  -6.164  10.556  13.668
  222   1HB   ASN  33          1HB       ASN  33  -8.117  10.151  15.527
  223   2HB   ASN  33          2HB       ASN  33  -7.950   8.479  15.129
  224   1HD2  ASN  33          1HD2      ASN  33  -4.997  10.281  17.375
  225   2HD2  ASN  33          2HD2      ASN  33  -6.272  11.266  16.496
  226    H    CYS  34           H        CYS  34  -6.575   9.677  11.302
  227    HA   CYS  34           HA       CYS  34  -6.758   7.091  10.485
  228   1HB   CYS  34          1HB       CYS  34  -4.474   8.774   9.332
  229   2HB   CYS  34          2HB       CYS  34  -5.262   7.456   8.498
  230    H    GLU  35           H        GLU  35  -5.332   5.248   9.929
  231    HA   GLU  35           HA       GLU  35  -2.641   5.174  11.433
  232   1HB   GLU  35          1HB       GLU  35  -4.140   2.584  11.804
  233   2HB   GLU  35          2HB       GLU  35  -3.051   3.435  12.812
  234   1HG   GLU  35          1HG       GLU  35  -4.872   3.520  14.157
  235   2HG   GLU  35          2HG       GLU  35  -5.004   5.096  13.406
  236    HE2  GLU  35           HE2      GLU  35  -8.266   3.459  13.545
  237    H    CYS  36           H        CYS  36  -1.636   2.927  11.059
  238    HA   CYS  36           HA       CYS  36  -1.294   2.661   8.031
  239   1HB   CYS  36          1HB       CYS  36   0.532   2.111  10.433
  240   2HB   CYS  36          2HB       CYS  36   0.792   1.065   9.124
  241    H    THR  37           H        THR  37  -1.163   0.619   7.040
  242    HA   THR  37           HA       THR  37  -2.561  -1.728   8.395
  243    HB   THR  37           HB       THR  37  -3.968  -2.094   6.288
  244    HG1  THR  37           HG1      THR  37  -3.328   0.662   5.915
  245   1HG2  THR  37          2HG2      THR  37  -4.960  -1.147   8.447
  246   2HG2  THR  37          3HG2      THR  37  -4.676   0.504   7.831
  247   3HG2  THR  37          1HG2      THR  37  -5.799  -0.593   6.987
  248    HA   PRO  38           HA       PRO  38   0.637  -3.768   5.627
  249   1HB   PRO  38          1HB       PRO  38   0.261  -6.369   6.475
  250   2HB   PRO  38          2HB       PRO  38   1.100  -5.156   7.445
  251   1HG   PRO  38          1HG       PRO  38  -1.800  -6.090   7.694
  252   2HG   PRO  38          2HG       PRO  38  -0.612  -5.852   8.998
  253   1HD   PRO  38          1HD       PRO  38  -2.536  -3.936   8.343
  254   2HD   PRO  38          2HD       PRO  38  -0.968  -3.487   9.004
  255    H    ARG  39           H        ARG  39  -0.495  -3.089   3.823
  256    HA   ARG  39           HA       ARG  39  -1.692  -3.194   1.800
  257   1HB   ARG  39          1HB       ARG  39  -0.720  -5.610   1.671
  258   2HB   ARG  39          2HB       ARG  39  -2.217  -6.208   2.373
  259   1HG   ARG  39          1HG       ARG  39  -3.483  -5.100   0.391
  260   2HG   ARG  39          2HG       ARG  39  -1.924  -4.648  -0.272
  261   1HD   ARG  39          1HD       ARG  39  -2.603  -6.631  -1.447
  262   2HD   ARG  39          2HD       ARG  39  -1.273  -7.100  -0.411
  263   1HH1  ARG  39          2HH2      ARG  39  -4.754  -6.437  -1.175
  264   2HH1  ARG  39          1HH2      ARG  39  -6.221  -7.476  -0.805
  265   1HH2  ARG  39          1HH1      ARG  39  -4.447  -9.671   1.168
  266   2HH2  ARG  39          2HH1      ARG  39  -6.056  -9.183   0.433
  267    H    LEU  40           H        LEU  40  -3.518  -2.077   1.905
  268    HA   LEU  40           HA       LEU  40  -5.772  -2.705   3.796
  269   1HB   LEU  40          1HB       LEU  40  -6.733  -0.702   3.149
  270   2HB   LEU  40          2HB       LEU  40  -5.038  -0.340   3.180
  271    HG   LEU  40           HG       LEU  40  -6.821  -0.667   0.687
  272   1HD1  LEU  40          3HD1      LEU  40  -7.233   1.424   1.991
  273   2HD1  LEU  40          1HD1      LEU  40  -5.508   1.849   1.906
  274   3HD1  LEU  40          2HD1      LEU  40  -6.496   1.798   0.424
  275   1HD2  LEU  40          2HD2      LEU  40  -3.840   0.134   0.710
  276   2HD2  LEU  40          3HD2      LEU  40  -4.500  -1.370   0.032
  277   3HD2  LEU  40          1HD2      LEU  40  -4.918   0.184  -0.702
  278    H    ILE  41           H        ILE  41  -7.462  -3.921   3.372
  279    HA   ILE  41           HA       ILE  41  -7.510  -5.523   0.838
  280    HB   ILE  41           HB       ILE  41  -9.422  -6.831   1.999
  281   1HG1  ILE  41          1HG1      ILE  41  -8.750  -5.148   4.508
  282   2HG1  ILE  41          2HG1      ILE  41 -10.198  -4.917   3.547
  283   1HG2  ILE  41          1HG2      ILE  41  -6.945  -7.455   2.108
  284   2HG2  ILE  41          2HG2      ILE  41  -6.763  -6.503   3.600
  285   3HG2  ILE  41          3HG2      ILE  41  -7.801  -7.947   3.571
  286   1HD1  ILE  41          2HD1      ILE  41 -10.932  -7.295   4.011
  287   2HD1  ILE  41          3HD1      ILE  41  -9.521  -7.492   5.085
  288   3HD1  ILE  41          1HD1      ILE  41 -10.771  -6.290   5.471
  289    H    MET  42           H        MET  42  -8.820  -5.329  -0.793
  290    HA   MET  42           HA       MET  42 -10.824  -3.058  -0.963
  291   1HB   MET  42          1HB       MET  42 -10.910  -3.571  -3.364
  292   2HB   MET  42          2HB       MET  42  -9.288  -3.252  -2.820
  293   1HG   MET  42          1HG       MET  42 -10.343  -6.079  -3.487
  294   2HG   MET  42          2HG       MET  42  -9.440  -5.029  -4.579
  295   1HE   MET  42          2HE       MET  42  -7.744  -7.158  -4.860
  296   2HE   MET  42          1HE       MET  42  -6.842  -7.863  -3.486
  297   3HE   MET  42          3HE       MET  42  -8.614  -8.081  -3.594
  298    H    GLU  43           H        GLU  43 -12.803  -3.396  -0.377
  299    HA   GLU  43           HA       GLU  43 -14.098  -6.190  -0.531
  300   1HB   GLU  43          1HB       GLU  43 -14.537  -4.004   1.600
  301   2HB   GLU  43          2HB       GLU  43 -15.387  -5.528   1.525
  302   1HG   GLU  43          1HG       GLU  43 -12.372  -5.198   2.074
  303   2HG   GLU  43          2HG       GLU  43 -13.617  -5.536   3.257
  304    HE2  GLU  43           HE2      GLU  43 -11.925  -8.473   1.177
  305    H    GLY  44           H        GLY  44 -16.030  -6.326  -1.339
  306   1HA   GLY  44          1HA       GLY  44 -18.109  -4.316  -1.639
  307   2HA   GLY  44          2HA       GLY  44 -17.153  -4.255  -3.127
  308    H    LEU  45           H        LEU  45 -17.120  -6.083  -4.475
  309    HA   LEU  45           HA       LEU  45 -19.186  -8.305  -3.972
  310   1HB   LEU  45          1HB       LEU  45 -19.336  -7.070  -6.157
  311   2HB   LEU  45          2HB       LEU  45 -17.676  -7.489  -6.534
  312    HG   LEU  45           HG       LEU  45 -18.305  -9.937  -6.609
  313   1HD1  LEU  45          3HD1      LEU  45 -21.202  -8.951  -6.166
  314   2HD1  LEU  45          1HD1      LEU  45 -20.755 -10.580  -6.732
  315   3HD1  LEU  45          2HD1      LEU  45 -20.267 -10.050  -5.118
  316   1HD2  LEU  45          3HD2      LEU  45 -18.264  -8.566  -8.694
  317   2HD2  LEU  45          1HD2      LEU  45 -19.516  -9.819  -8.783
  318   3HD2  LEU  45          2HD2      LEU  45 -19.976  -8.127  -8.468
  319    H    SER  46           H        SER  46 -17.998  -9.333  -2.407
  320    HA   SER  46           HA       SER  46 -15.693 -11.083  -3.437
  321   1HB   SER  46          1HB       SER  46 -14.748  -9.229  -1.963
  322   2HB   SER  46          2HB       SER  46 -15.779  -9.763  -0.630
  323    HG   SER  46           HG       SER  46 -13.841 -11.316  -2.012
  324    H    PHE  47           H        PHE  47 -17.794 -12.193  -3.867
  325    HA   PHE  47           HA       PHE  47 -18.278 -14.384  -1.930
  326   1HB   PHE  47          1HB       PHE  47 -20.728 -13.969  -1.554
  327   2HB   PHE  47          2HB       PHE  47 -19.707 -12.853  -0.736
  328    HD1  PHE  47           HD1      PHE  47 -19.700 -10.405  -1.329
  329    HD2  PHE  47           HD2      PHE  47 -22.344 -13.169  -3.304
  330    HE1  PHE  47           HE1      PHE  47 -21.099  -8.535  -2.095
  331    HE2  PHE  47           HE2      PHE  47 -23.725 -11.283  -4.068
  332    HZ   PHE  47           HZ       PHE  47 -23.111  -8.966  -3.464
  333    H    ALA  48           H        ALA  48 -19.659 -12.671  -4.754
  334    HA   ALA  48           HA       ALA  48 -20.075 -15.391  -6.165
  335   1HB   ALA  48          1HB       ALA  48 -21.761 -12.813  -6.503
  336   2HB   ALA  48          2HB       ALA  48 -21.959 -14.324  -7.422
  337   3HB   ALA  48          3HB       ALA  48 -22.271 -14.304  -5.677
  338    HXT  ALA  48           HO       ALA  48 -17.770 -14.416  -8.457
   
  No H/Q in entry =         338
  Start of MODEL          20
 Raw file had  348 H/Q atoms
  Start of MODEL   20
    1   1H    GLU   1          1H        GLU   1   9.861   7.458  14.596
    2   2H    GLU   1          2H        GLU   1   9.175   8.043  15.981
    3   3H    GLU   1          3H        GLU   1   8.488   6.762  15.196
    4    HA   GLU   1           HA       GLU   1   7.947   8.130  13.263
    5   1HB   GLU   1          1HB       GLU   1   6.968   9.195  16.008
    6   2HB   GLU   1          2HB       GLU   1   6.288   9.740  14.494
    7   1HG   GLU   1          1HG       GLU   1   6.228   6.798  15.429
    8   2HG   GLU   1          2HG       GLU   1   4.940   7.959  15.672
    9    HE1  GLU   1           HE2      GLU   1   5.561   6.250  12.075
   10    H    ASP   2           H        ASP   2   9.080   9.480  12.115
   11    HA   ASP   2           HA       ASP   2   9.756  12.260  13.106
   12   1HB   ASP   2          1HB       ASP   2  12.119  12.171  12.352
   13   2HB   ASP   2          2HB       ASP   2  11.826  11.102  13.687
   14    HD2  ASP   2           HD2      ASP   2  12.890  11.434  10.615
   15    H    ASN   3           H        ASN   3  10.276  10.112  10.286
   16    HA   ASN   3           HA       ASN   3   8.735  12.071   8.537
   17   1HB   ASN   3          1HB       ASN   3  11.529  10.885   7.938
   18   2HB   ASN   3          2HB       ASN   3  10.632  11.758   6.720
   19   1HD2  ASN   3          1HD2      ASN   3  11.422  15.040   8.023
   20   2HD2  ASN   3          2HD2      ASN   3  10.200  14.071   7.055
   21    H    CYS   4           H        CYS   4   8.682   9.251   9.452
   22    HA   CYS   4           HA       CYS   4   7.084   8.179   7.092
   23   1HB   CYS   4          1HB       CYS   4   7.961   6.093   7.107
   24   2HB   CYS   4          2HB       CYS   4   9.111   7.082   6.365
   25    H    ILE   5           H        ILE   5   6.019   6.039   7.631
   26    HA   ILE   5           HA       ILE   5   5.185   6.031  10.645
   27    HB   ILE   5           HB       ILE   5   3.236   4.580   8.733
   28   1HG1  ILE   5          1HG1      ILE   5   3.263   6.916   7.814
   29   2HG1  ILE   5          2HG1      ILE   5   1.826   6.500   8.597
   30   1HG2  ILE   5          3HG2      ILE   5   3.053   5.721  11.568
   31   2HG2  ILE   5          1HG2      ILE   5   1.708   5.042  10.628
   32   3HG2  ILE   5          2HG2      ILE   5   3.088   4.023  11.066
   33   1HD1  ILE   5          2HD1      ILE   5   3.064   7.702  10.706
   34   2HD1  ILE   5          3HD1      ILE   5   3.989   8.408   9.373
   35   3HD1  ILE   5          1HD1      ILE   5   2.198   8.589   9.421
   36    H    ALA   6           H        ALA   6   6.726   4.609  11.282
   37    HA   ALA   6           HA       ALA   6   7.514   2.253   9.549
   38   1HB   ALA   6          2HB       ALA   6   9.262   3.616  10.833
   39   2HB   ALA   6          3HB       ALA   6   8.522   3.135  12.385
   40   3HB   ALA   6          1HB       ALA   6   9.305   1.920  11.345
   41    H    GLU   7           H        GLU   7   5.014   2.558  11.188
   42    HA   GLU   7           HA       GLU   7   4.854  -0.067  12.745
   43   1HB   GLU   7          1HB       GLU   7   3.154   2.481  12.861
   44   2HB   GLU   7          2HB       GLU   7   2.828   1.061  13.810
   45   1HG   GLU   7          1HG       GLU   7   3.946   2.124  15.437
   46   2HG   GLU   7          2HG       GLU   7   5.349   1.361  14.717
   47    HE1  GLU   7           HE2      GLU   7   4.605   5.354  14.366
   48    H    ASP   8           H        ASP   8   2.999  -1.176  12.973
   49    HA   ASP   8           HA       ASP   8   1.129  -1.275  10.540
   50   1HB   ASP   8          1HB       ASP   8   1.301  -3.602  12.454
   51   2HB   ASP   8          2HB       ASP   8   0.563  -3.541  10.872
   52    HD2  ASP   8           HD2      ASP   8   2.761  -5.015  12.205
   53    H    TYR   9           H        TYR   9  -0.583  -0.636  11.130
   54    HA   TYR   9           HA       TYR   9  -2.291   0.790  12.219
   55   1HB   TYR   9          1HB       TYR   9  -1.894  -1.253  14.538
   56   2HB   TYR   9          2HB       TYR   9  -3.218  -0.128  14.387
   57    HD1  TYR   9           HD1      TYR   9  -4.736  -0.248  12.220
   58    HD2  TYR   9           HD2      TYR   9  -2.022  -3.398  13.334
   59    HE1  TYR   9           HE1      TYR   9  -5.789  -1.749  10.583
   60    HE2  TYR   9           HE2      TYR   9  -3.088  -4.886  11.699
   61    HH   TYR   9           HH       TYR   9  -5.779  -3.758   9.650
   62    H    GLY  10           H        GLY  10   0.196   1.780  12.148
   63   1HA   GLY  10          1HA       GLY  10   1.155   3.300  14.527
   64   2HA   GLY  10          2HA       GLY  10   1.393   3.677  12.879
   65    H    LYS  11           H        LYS  11   1.211   5.750  13.914
   66    HA   LYS  11           HA       LYS  11  -1.654   6.857  13.507
   67   1HB   LYS  11          1HB       LYS  11  -0.710   9.127  14.256
   68   2HB   LYS  11          2HB       LYS  11  -1.095   7.926  15.418
   69   1HG   LYS  11          1HG       LYS  11   1.417   7.441  15.730
   70   2HG   LYS  11          2HG       LYS  11   1.775   8.594  14.445
   71   1HD   LYS  11          1HD       LYS  11   0.671  10.444  15.865
   72   2HD   LYS  11          2HD       LYS  11   0.421   9.254  17.133
   73   1HE   LYS  11          1HE       LYS  11   2.385  10.462  17.771
   74   2HE   LYS  11          2HE       LYS  11   2.968   8.884  17.248
   75   1HZ   LYS  11          1HZ       LYS  11   2.967  11.358  15.593
   76   2HZ   LYS  11          2HZ       LYS  11   3.518   9.903  15.090
   77    H    CYS  12           H        CYS  12  -1.940   7.935  11.794
   78    HA   CYS  12           HA       CYS  12   0.255   9.011   9.934
   79   1HB   CYS  12          1HB       CYS  12  -0.046   7.602   8.100
   80   2HB   CYS  12          2HB       CYS  12  -0.068   6.474   9.422
   81    H    THR  13           H        THR  13  -0.834   9.521   7.769
   82    HA   THR  13           HA       THR  13  -3.608  10.776   8.107
   83    HB   THR  13           HB       THR  13  -2.417  12.893   6.770
   84    HG1  THR  13           HG1      THR  13  -0.494  12.013   8.706
   85   1HG2  THR  13          2HG2      THR  13  -3.765  13.200   8.822
   86   2HG2  THR  13          3HG2      THR  13  -2.354  12.714   9.836
   87   3HG2  THR  13          1HG2      THR  13  -2.286  14.191   8.837
   88    H    TRP  14           H        TRP  14  -4.606  11.184   6.294
   89    HA   TRP  14           HA       TRP  14  -3.652   9.963   3.627
   90   1HB   TRP  14          1HB       TRP  14  -6.495  10.754   4.506
   91   2HB   TRP  14          2HB       TRP  14  -6.047  10.394   2.852
   92    HD1  TRP  14           HD1      TRP  14  -4.196   7.676   4.932
   93    HE1  TRP  14           HE1      TRP  14  -5.619   5.517   5.048
   94    HE3  TRP  14           HE3      TRP  14  -8.614   9.666   3.128
   95    HZ2  TRP  14           HZ2      TRP  14  -8.342   4.863   4.484
   96    HZ3  TRP  14           HZ3      TRP  14 -10.588   8.188   2.977
   97    HH2  TRP  14           HH2      TRP  14 -10.451   5.821   3.644
   98    H    GLY  15           H        GLY  15  -2.668  11.447   2.506
   99   1HA   GLY  15          1HA       GLY  15  -2.058  13.629   1.503
  100   2HA   GLY  15          2HA       GLY  15  -3.427  14.407   2.338
  101    H    GLY  16           H        GLY  16  -0.484  12.573   2.958
  102   1HA   GLY  16          1HA       GLY  16   0.365  14.024   5.588
  103   2HA   GLY  16          2HA       GLY  16  -0.444  12.539   5.579
  104    H    THR  17           H        THR  17   1.259  11.883   6.648
  105    HA   THR  17           HA       THR  17   3.553  10.683   5.032
  106    HB   THR  17           HB       THR  17   2.979   9.662   7.852
  107    HG1  THR  17           HG1      THR  17   4.272  12.131   7.186
  108   1HG2  THR  17          3HG2      THR  17   5.609  10.275   6.324
  109   2HG2  THR  17          1HG2      THR  17   5.491   9.671   7.994
  110   3HG2  THR  17          2HG2      THR  17   4.902   8.685   6.664
  111    H    LYS  18           H        LYS  18   3.641   8.690   4.469
  112    HA   LYS  18           HA       LYS  18   1.386   6.611   4.876
  113   1HB   LYS  18          1HB       LYS  18   3.353   6.234   2.639
  114   2HB   LYS  18          2HB       LYS  18   1.824   5.522   2.874
  115   1HG   LYS  18          1HG       LYS  18   2.064   8.459   1.978
  116   2HG   LYS  18          2HG       LYS  18   2.013   7.081   0.911
  117   1HD   LYS  18          1HD       LYS  18  -0.208   7.726   0.853
  118   2HD   LYS  18          2HD       LYS  18  -0.242   6.385   1.969
  119   1HE   LYS  18          1HE       LYS  18  -1.694   8.096   2.860
  120   2HE   LYS  18          2HE       LYS  18  -0.297   8.056   3.925
  121   1HZ   LYS  18          1HZ       LYS  18  -0.727   9.996   1.711
  122   2HZ   LYS  18          2HZ       LYS  18   0.592   9.975   2.676
  123    H    CYS  19           H        CYS  19   2.452   4.521   4.543
  124    HA   CYS  19           HA       CYS  19   4.114   4.328   7.033
  125   1HB   CYS  19          1HB       CYS  19   2.800   2.168   5.311
  126   2HB   CYS  19          2HB       CYS  19   3.812   1.755   6.749
  127    H    CYS  20           H        CYS  20   6.009   3.634   7.257
  128    HA   CYS  20           HA       CYS  20   7.920   4.741   5.869
  129   1HB   CYS  20          1HB       CYS  20   7.976   3.824   8.240
  130   2HB   CYS  20          2HB       CYS  20   8.647   2.304   7.642
  131    H    ARG  21           H        ARG  21   7.563   1.205   5.788
  132    HA   ARG  21           HA       ARG  21   9.945   0.855   3.907
  133   1HB   ARG  21          1HB       ARG  21   9.918  -1.513   4.648
  134   2HB   ARG  21          2HB       ARG  21   9.827  -0.488   6.051
  135   1HG   ARG  21          1HG       ARG  21   7.260  -0.946   6.121
  136   2HG   ARG  21          2HG       ARG  21   7.496  -2.052   4.779
  137   1HD   ARG  21          1HD       ARG  21   7.389  -3.400   6.760
  138   2HD   ARG  21          2HD       ARG  21   9.047  -3.468   6.183
  139   1HH1  ARG  21          2HH2      ARG  21   6.327  -2.093   8.239
  140   2HH1  ARG  21          1HH2      ARG  21   6.461  -1.486   9.965
  141   1HH2  ARG  21          1HH1      ARG  21   9.909  -1.669   9.981
  142   2HH2  ARG  21          2HH1      ARG  21   8.368  -1.262  10.890
  143    H    GLY  22           H        GLY  22   7.559   1.774   3.084
  144   1HA   GLY  22          1HA       GLY  22   6.493   1.891   0.765
  145   2HA   GLY  22          2HA       GLY  22   7.216   0.352   0.386
  146    H    ARG  23           H        ARG  23   5.048   1.688   2.645
  147    HA   ARG  23           HA       ARG  23   3.043  -0.639   2.359
  148   1HB   ARG  23          1HB       ARG  23   4.215   0.722   4.817
  149   2HB   ARG  23          2HB       ARG  23   2.688  -0.160   4.948
  150   1HG   ARG  23          1HG       ARG  23   5.459  -1.214   4.259
  151   2HG   ARG  23          2HG       ARG  23   4.634  -1.292   5.814
  152   1HD   ARG  23          1HD       ARG  23   2.796  -2.741   4.739
  153   2HD   ARG  23          2HD       ARG  23   3.747  -2.767   3.239
  154   1HH1  ARG  23          2HH2      ARG  23   2.490  -4.936   4.363
  155   2HH1  ARG  23          1HH2      ARG  23   3.084  -6.576   4.935
  156   1HH2  ARG  23          1HH1      ARG  23   6.214  -5.387   5.763
  157   2HH2  ARG  23          2HH1      ARG  23   5.062  -6.813   5.677
  158    HA   PRO  24           HA       PRO  24  -0.070   2.771   2.156
  159   1HB   PRO  24          1HB       PRO  24  -2.412   1.270   2.279
  160   2HB   PRO  24          2HB       PRO  24  -1.349   1.306   0.868
  161   1HG   PRO  24          1HG       PRO  24  -1.488  -0.827   3.047
  162   2HG   PRO  24          2HG       PRO  24  -1.401  -1.062   1.291
  163   1HD   PRO  24          1HD       PRO  24   0.815  -1.213   3.000
  164   2HD   PRO  24          2HD       PRO  24   0.954  -0.742   1.279
  165    H    CYS  25           H        CYS  25  -1.597   3.794   3.340
  166    HA   CYS  25           HA       CYS  25  -1.880   3.129   6.330
  167   1HB   CYS  25          1HB       CYS  25  -0.695   4.996   6.671
  168   2HB   CYS  25          2HB       CYS  25  -0.934   5.636   5.027
  169    H    ARG  26           H        ARG  26  -3.909   3.252   7.095
  170    HA   ARG  26           HA       ARG  26  -6.268   3.902   5.322
  171   1HB   ARG  26          1HB       ARG  26  -5.725   1.120   6.501
  172   2HB   ARG  26          2HB       ARG  26  -7.361   1.698   6.367
  173   1HG   ARG  26          1HG       ARG  26  -5.469   1.511   3.946
  174   2HG   ARG  26          2HG       ARG  26  -6.595   0.254   4.451
  175   1HD   ARG  26          1HD       ARG  26  -8.536   1.895   4.190
  176   2HD   ARG  26          2HD       ARG  26  -7.392   3.097   3.572
  177   1HH1  ARG  26          2HH2      ARG  26  -9.637   3.105   2.635
  178   2HH1  ARG  26          1HH2      ARG  26 -10.319   2.894   0.945
  179   1HH2  ARG  26          1HH1      ARG  26  -7.906   0.628   0.005
  180   2HH2  ARG  26          2HH1      ARG  26  -9.405   1.589  -0.438
  181    H    CYS  27           H        CYS  27  -7.709   4.965   6.552
  182    HA   CYS  27           HA       CYS  27  -6.735   5.850   9.062
  183   1HB   CYS  27          1HB       CYS  27  -9.575   6.366   7.966
  184   2HB   CYS  27          2HB       CYS  27  -8.803   7.305   9.207
  185    H    SER  28           H        SER  28  -8.027   6.106  11.036
  186    HA   SER  28           HA       SER  28  -9.187   3.663  12.323
  187   1HB   SER  28          1HB       SER  28  -7.793   5.771  13.321
  188   2HB   SER  28          2HB       SER  28  -9.377   6.560  13.346
  189    HG   SER  28           HG       SER  28  -8.690   4.068  14.514
  190    H    MET  29           H        MET  29 -11.083   4.669  13.723
  191    HA   MET  29           HA       MET  29 -13.606   4.139  12.158
  192   1HB   MET  29          1HB       MET  29 -13.051   4.984  15.103
  193   2HB   MET  29          2HB       MET  29 -14.667   4.871  14.470
  194   1HG   MET  29          1HG       MET  29 -14.249   2.802  15.605
  195   2HG   MET  29          2HG       MET  29 -14.289   2.417  13.877
  196   1HE   MET  29          3HE       MET  29 -13.031   0.095  14.273
  197   2HE   MET  29          2HE       MET  29 -11.521  -0.068  15.217
  198   3HE   MET  29          1HE       MET  29 -13.036   0.415  16.037
  199    H    ILE  30           H        ILE  30 -12.051   7.040  13.372
  200    HA   ILE  30           HA       ILE  30 -14.380   8.894  12.851
  201    HB   ILE  30           HB       ILE  30 -11.391   9.552  13.455
  202   1HG1  ILE  30          1HG1      ILE  30 -13.800   9.673  15.415
  203   2HG1  ILE  30          2HG1      ILE  30 -12.726   8.295  15.335
  204   1HG2  ILE  30          2HG2      ILE  30 -12.620  11.496  12.353
  205   2HG2  ILE  30          3HG2      ILE  30 -13.913  11.388  13.567
  206   3HG2  ILE  30          1HG2      ILE  30 -12.262  11.871  14.032
  207   1HD1  ILE  30          1HD1      ILE  30 -10.736   9.724  15.931
  208   2HD1  ILE  30          2HD1      ILE  30 -11.827  11.119  16.145
  209   3HD1  ILE  30          3HD1      ILE  30 -12.001   9.689  17.182
  210    H    GLY  31           H        GLY  31 -11.225   8.311  11.305
  211   1HA   GLY  31          1HA       GLY  31 -10.665   8.552   8.890
  212   2HA   GLY  31          2HA       GLY  31 -12.210   9.293   8.592
  213    H    THR  32           H        THR  32  -9.633  10.123  10.863
  214    HA   THR  32           HA       THR  32  -8.867  12.680   9.558
  215    HB   THR  32           HB       THR  32 -10.254  12.630  12.315
  216    HG1  THR  32           HG1      THR  32 -11.923  13.800  11.265
  217   1HG2  THR  32          2HG2      THR  32  -9.445  15.107  10.596
  218   2HG2  THR  32          3HG2      THR  32 -10.387  15.185  12.105
  219   3HG2  THR  32          1HG2      THR  32  -8.703  14.638  12.148
  220    H    ASN  33           H        ASN  33  -8.605  10.689  11.854
  221    HA   ASN  33           HA       ASN  33  -5.689  11.264  12.738
  222   1HB   ASN  33          1HB       ASN  33  -7.865  10.110  14.620
  223   2HB   ASN  33          2HB       ASN  33  -6.164  10.059  14.981
  224   1HD2  ASN  33          1HD2      ASN  33  -6.017  13.533  15.981
  225   2HD2  ASN  33          2HD2      ASN  33  -5.060  12.047  15.486
  226    H    CYS  34           H        CYS  34  -6.213  10.025  10.639
  227    HA   CYS  34           HA       CYS  34  -6.682   7.290  10.323
  228   1HB   CYS  34          1HB       CYS  34  -4.474   8.790   8.827
  229   2HB   CYS  34          2HB       CYS  34  -5.221   7.321   8.259
  230    H    GLU  35           H        GLU  35  -5.165   5.458   9.740
  231    HA   GLU  35           HA       GLU  35  -2.680   5.375  11.559
  232   1HB   GLU  35          1HB       GLU  35  -4.480   2.893  11.277
  233   2HB   GLU  35          2HB       GLU  35  -3.249   3.120  12.404
  234   1HG   GLU  35          1HG       GLU  35  -4.462   4.807  13.739
  235   2HG   GLU  35          2HG       GLU  35  -5.830   4.746  12.634
  236    HE1  GLU  35           HE2      GLU  35  -5.085   1.675  15.189
  237    H    CYS  36           H        CYS  36  -1.697   3.109  11.230
  238    HA   CYS  36           HA       CYS  36  -0.838   2.876   8.267
  239   1HB   CYS  36          1HB       CYS  36   1.121   2.694  10.132
  240   2HB   CYS  36          2HB       CYS  36   0.419   1.108  10.483
  241    H    THR  37           H        THR  37  -0.841   0.716   7.317
  242    HA   THR  37           HA       THR  37  -2.317  -1.517   8.716
  243    HB   THR  37           HB       THR  37  -4.147  -0.447   7.585
  244    HG1  THR  37           HG1      THR  37  -3.307  -2.787   6.254
  245   1HG2  THR  37          3HG2      THR  37  -2.677  -0.971   4.876
  246   2HG2  THR  37          1HG2      THR  37  -4.346  -0.414   5.027
  247   3HG2  THR  37          2HG2      THR  37  -3.021   0.652   5.534
  248    HA   PRO  38           HA       PRO  38   1.136  -3.557   6.473
  249   1HB   PRO  38          1HB       PRO  38   0.844  -6.107   7.456
  250   2HB   PRO  38          2HB       PRO  38   1.265  -4.741   8.487
  251   1HG   PRO  38          1HG       PRO  38  -1.488  -6.014   8.116
  252   2HG   PRO  38          2HG       PRO  38  -0.682  -5.579   9.642
  253   1HD   PRO  38          1HD       PRO  38  -2.569  -3.928   8.365
  254   2HD   PRO  38          2HD       PRO  38  -1.313  -3.268   9.405
  255    H    ARG  39           H        ARG  39  -0.063  -2.955   4.487
  256    HA   ARG  39           HA       ARG  39  -1.098  -3.335   2.358
  257   1HB   ARG  39          1HB       ARG  39   0.456  -5.998   2.776
  258   2HB   ARG  39          2HB       ARG  39  -0.359  -5.592   1.277
  259   1HG   ARG  39          1HG       ARG  39   1.029  -3.553   0.952
  260   2HG   ARG  39          2HG       ARG  39   1.806  -3.803   2.502
  261   1HD   ARG  39          1HD       ARG  39   3.349  -4.546   0.842
  262   2HD   ARG  39          2HD       ARG  39   2.823  -5.970   1.706
  263   1HH1  ARG  39          2HH2      ARG  39   1.938  -7.693   1.345
  264   2HH1  ARG  39          1HH2      ARG  39   1.417  -8.925   0.089
  265   1HH2  ARG  39          1HH1      ARG  39   1.479  -6.652  -2.495
  266   2HH2  ARG  39          2HH1      ARG  39   1.176  -8.373  -1.936
  267    H    LEU  40           H        LEU  40  -3.089  -3.236   3.623
  268    HA   LEU  40           HA       LEU  40  -4.944  -5.510   2.953
  269   1HB   LEU  40          1HB       LEU  40  -3.990  -6.177   5.210
  270   2HB   LEU  40          2HB       LEU  40  -4.472  -4.641   5.885
  271    HG   LEU  40           HG       LEU  40  -6.919  -5.254   5.439
  272   1HD1  LEU  40          3HD1      LEU  40  -5.774  -8.049   4.759
  273   2HD1  LEU  40          1HD1      LEU  40  -7.494  -7.669   5.030
  274   3HD1  LEU  40          2HD1      LEU  40  -6.647  -6.973   3.639
  275   1HD2  LEU  40          2HD2      LEU  40  -5.887  -5.525   7.692
  276   2HD2  LEU  40          3HD2      LEU  40  -7.081  -6.800   7.388
  277   3HD2  LEU  40          1HD2      LEU  40  -5.341  -7.168   7.275
  278    H    ILE  41           H        ILE  41  -6.345  -4.317   1.864
  279    HA   ILE  41           HA       ILE  41  -6.967  -1.446   2.595
  280    HB   ILE  41           HB       ILE  41  -8.477  -1.532   0.474
  281   1HG1  ILE  41          1HG1      ILE  41  -7.009  -4.171  -0.186
  282   2HG1  ILE  41          2HG1      ILE  41  -8.659  -4.131   0.395
  283   1HG2  ILE  41          1HG2      ILE  41  -6.097  -0.593   0.572
  284   2HG2  ILE  41          2HG2      ILE  41  -5.443  -2.192   0.146
  285   3HG2  ILE  41          3HG2      ILE  41  -6.451  -1.290  -1.010
  286   1HD1  ILE  41          3HD1      ILE  41  -9.382  -2.731  -1.573
  287   2HD1  ILE  41          1HD1      ILE  41  -7.724  -2.819  -2.226
  288   3HD1  ILE  41          2HD1      ILE  41  -8.687  -4.301  -2.043
  289    H    MET  42           H        MET  42  -8.571  -0.896   3.811
  290    HA   MET  42           HA       MET  42 -10.985  -2.749   4.333
  291   1HB   MET  42          1HB       MET  42 -11.433  -1.334   6.328
  292   2HB   MET  42          2HB       MET  42  -9.954  -2.252   6.411
  293   1HG   MET  42          1HG       MET  42  -8.590  -0.200   5.999
  294   2HG   MET  42          2HG       MET  42 -10.050   0.795   5.905
  295   1HE   MET  42          2HE       MET  42 -11.999   0.505   8.059
  296   2HE   MET  42          1HE       MET  42 -11.234   1.150   9.542
  297   3HE   MET  42          3HE       MET  42 -11.000   1.991   7.982
  298    H    GLU  43           H        GLU  43 -12.227  -2.313   2.656
  299    HA   GLU  43           HA       GLU  43 -13.454   0.435   2.322
  300   1HB   GLU  43          1HB       GLU  43 -11.416   0.370   0.842
  301   2HB   GLU  43          2HB       GLU  43 -12.047  -1.020  -0.038
  302   1HG   GLU  43          1HG       GLU  43 -14.002   0.450  -0.809
  303   2HG   GLU  43          2HG       GLU  43 -13.352   1.792   0.124
  304    HE2  GLU  43           HE2      GLU  43 -10.892   2.634  -2.134
  305    H    GLY  44           H        GLY  44 -15.423   0.328   1.647
  306   1HA   GLY  44          1HA       GLY  44 -16.875  -2.365   1.572
  307   2HA   GLY  44          2HA       GLY  44 -17.619  -0.805   1.836
  308    H    LEU  45           H        LEU  45 -16.636  -3.084  -0.541
  309    HA   LEU  45           HA       LEU  45 -18.374  -1.753  -2.615
  310   1HB   LEU  45          1HB       LEU  45 -16.796  -1.631  -4.367
  311   2HB   LEU  45          2HB       LEU  45 -16.132  -0.717  -3.050
  312    HG   LEU  45           HG       LEU  45 -15.154  -3.487  -3.996
  313   1HD1  LEU  45          3HD1      LEU  45 -14.707  -1.687  -5.649
  314   2HD1  LEU  45          1HD1      LEU  45 -13.916  -0.692  -4.403
  315   3HD1  LEU  45          2HD1      LEU  45 -13.193  -2.238  -4.912
  316   1HD2  LEU  45          1HD2      LEU  45 -13.891  -1.649  -1.855
  317   2HD2  LEU  45          2HD2      LEU  45 -14.567  -3.274  -1.588
  318   3HD2  LEU  45          3HD2      LEU  45 -13.107  -3.081  -2.564
  319    H    SER  46           H        SER  46 -19.522  -3.257  -3.539
  320    HA   SER  46           HA       SER  46 -18.803  -6.230  -3.332
  321   1HB   SER  46          1HB       SER  46 -21.048  -5.461  -2.483
  322   2HB   SER  46          2HB       SER  46 -21.465  -4.830  -4.080
  323    HG   SER  46           HG       SER  46 -22.244  -6.916  -3.727
  324    H    PHE  47           H        PHE  47 -20.428  -4.299  -5.857
  325    HA   PHE  47           HA       PHE  47 -18.901  -5.826  -8.034
  326   1HB   PHE  47          1HB       PHE  47 -21.441  -5.701  -8.080
  327   2HB   PHE  47          2HB       PHE  47 -21.374  -3.964  -8.204
  328    HD1  PHE  47           HD1      PHE  47 -20.570  -7.176  -9.982
  329    HD2  PHE  47           HD2      PHE  47 -20.896  -2.903 -10.394
  330    HE1  PHE  47           HE1      PHE  47 -20.439  -7.390 -12.430
  331    HE2  PHE  47           HE2      PHE  47 -20.751  -3.137 -12.836
  332    HZ   PHE  47           HZ       PHE  47 -20.523  -5.375 -13.860
  333    H    ALA  48           H        ALA  48 -19.946  -2.438  -7.676
  334    HA   ALA  48           HA       ALA  48 -18.982  -0.335  -8.282
  335   1HB   ALA  48          1HB       ALA  48 -17.158  -0.929  -6.618
  336   2HB   ALA  48          2HB       ALA  48 -16.237  -1.771  -7.888
  337   3HB   ALA  48          3HB       ALA  48 -16.508  -0.020  -7.991
  338    HXT  ALA  48           HO       ALA  48 -18.914  -0.693 -11.670
   
  No H/Q in entry =         338
  Start of MODEL          21
 Raw file had  348 H/Q atoms
  Start of MODEL   21
    1   1H    GLU   1          3H        GLU   1   8.292   6.657  13.095
    2   2H    GLU   1          1H        GLU   1   7.679   6.762  14.625
    3   3H    GLU   1          2H        GLU   1   6.840   5.955  13.452
    4    HA   GLU   1           HA       GLU   1   6.472   8.022  12.187
    5   1HB   GLU   1          1HB       GLU   1   4.895   9.073  13.802
    6   2HB   GLU   1          2HB       GLU   1   4.720   7.343  13.686
    7   1HG   GLU   1          1HG       GLU   1   5.926   7.074  15.932
    8   2HG   GLU   1          2HG       GLU   1   6.031   8.823  16.066
    9    HE2  GLU   1           HE2      GLU   1   2.629   6.853  16.848
   10    H    ASP   2           H        ASP   2   8.554   8.830  11.744
   11    HA   ASP   2           HA       ASP   2   9.124  11.469  13.153
   12   1HB   ASP   2          1HB       ASP   2  11.314   9.327  12.639
   13   2HB   ASP   2          2HB       ASP   2  11.656  11.020  12.922
   14    HD2  ASP   2           HD2      ASP   2  10.708   8.132  14.239
   15    H    ASN   3           H        ASN   3  11.186   9.995  10.679
   16    HA   ASN   3           HA       ASN   3   9.932  11.788   8.536
   17   1HB   ASN   3          1HB       ASN   3  12.597  10.190   8.615
   18   2HB   ASN   3          2HB       ASN   3  12.084  11.098   7.214
   19   1HD2  ASN   3          1HD2      ASN   3  14.069  13.190  10.011
   20   2HD2  ASN   3          2HD2      ASN   3  13.868  11.367  10.051
   21    H    CYS   4           H        CYS   4   9.371   9.023   9.524
   22    HA   CYS   4           HA       CYS   4   7.772   8.112   7.219
   23   1HB   CYS   4          1HB       CYS   4   8.450   6.009   6.960
   24   2HB   CYS   4          2HB       CYS   4   9.619   6.915   6.200
   25    H    ILE   5           H        ILE   5   6.567   6.061   7.713
   26    HA   ILE   5           HA       ILE   5   5.972   5.957  10.791
   27    HB   ILE   5           HB       ILE   5   3.816   5.285   8.677
   28   1HG1  ILE   5          1HG1      ILE   5   4.133   7.748  10.397
   29   2HG1  ILE   5          2HG1      ILE   5   4.485   7.687   8.676
   30   1HG2  ILE   5          3HG2      ILE   5   3.574   4.011  10.826
   31   2HG2  ILE   5          1HG2      ILE   5   3.585   5.538  11.748
   32   3HG2  ILE   5          2HG2      ILE   5   2.290   5.154  10.599
   33   1HD1  ILE   5          3HD1      ILE   5   1.750   7.144   9.876
   34   2HD1  ILE   5          1HD1      ILE   5   2.270   8.663   9.141
   35   3HD1  ILE   5          2HD1      ILE   5   2.182   7.187   8.135
   36    H    ALA   6           H        ALA   6   7.342   4.284  11.252
   37    HA   ALA   6           HA       ALA   6   7.683   1.963   9.322
   38   1HB   ALA   6          2HB       ALA   6   9.679   2.896  10.596
   39   2HB   ALA   6          3HB       ALA   6   8.915   2.490  12.159
   40   3HB   ALA   6          1HB       ALA   6   9.435   1.200  11.054
   41    H    GLU   7           H        GLU   7   5.311   2.531  11.054
   42    HA   GLU   7           HA       GLU   7   4.800  -0.026  12.620
   43   1HB   GLU   7          1HB       GLU   7   3.455   2.726  12.560
   44   2HB   GLU   7          2HB       GLU   7   2.960   1.464  13.657
   45   1HG   GLU   7          1HG       GLU   7   5.088   1.506  14.883
   46   2HG   GLU   7          2HG       GLU   7   5.803   2.632  13.735
   47    HE1  GLU   7           HE2      GLU   7   3.244   3.914  16.570
   48    H    ASP   8           H        ASP   8   2.975  -0.836  13.042
   49    HA   ASP   8           HA       ASP   8   0.900  -1.171  10.798
   50   1HB   ASP   8          1HB       ASP   8   1.057  -3.145  13.063
   51   2HB   ASP   8          2HB       ASP   8   0.311  -3.293  11.490
   52    HD2  ASP   8           HD2      ASP   8   2.441  -4.638  13.073
   53    H    TYR   9           H        TYR   9  -0.800  -0.361  11.441
   54    HA   TYR   9           HA       TYR   9  -2.355   1.235  12.442
   55   1HB   TYR   9          1HB       TYR   9  -1.663  -0.358  15.038
   56   2HB   TYR   9          2HB       TYR   9  -2.961   0.785  14.896
   57    HD1  TYR   9           HD2      TYR   9  -4.762   0.409  12.964
   58    HD2  TYR   9           HD1      TYR   9  -2.180  -2.679  14.491
   59    HE1  TYR   9           HE2      TYR   9  -6.304  -1.306  12.124
   60    HE2  TYR   9           HE1      TYR   9  -3.743  -4.382  13.665
   61    HH   TYR   9           HH       TYR   9  -6.715  -3.477  11.918
   62    H    GLY  10           H        GLY  10   0.491   2.031  12.239
   63   1HA   GLY  10          1HA       GLY  10   1.008   4.056  14.421
   64   2HA   GLY  10          2HA       GLY  10   1.855   4.041  12.971
   65    H    LYS  11           H        LYS  11   0.746   6.038  14.141
   66    HA   LYS  11           HA       LYS  11  -1.821   6.905  12.792
   67   1HB   LYS  11          1HB       LYS  11  -1.203   9.319  13.768
   68   2HB   LYS  11          2HB       LYS  11  -1.920   8.059  14.661
   69   1HG   LYS  11          1HG       LYS  11   1.126   8.566  14.767
   70   2HG   LYS  11          2HG       LYS  11   0.019   9.561  15.685
   71   1HD   LYS  11          1HD       LYS  11   0.327   6.514  16.057
   72   2HD   LYS  11          2HD       LYS  11   1.081   7.760  17.036
   73   1HE   LYS  11          1HE       LYS  11  -1.193   8.605  17.773
   74   2HE   LYS  11          2HE       LYS  11  -1.972   7.329  16.826
   75   1HZ   LYS  11          1HZ       LYS  11  -1.704   6.714  19.129
   76   2HZ   LYS  11          2HZ       LYS  11  -0.083   6.912  19.072
   77    H    CYS  12           H        CYS  12  -1.930   7.552  11.044
   78    HA   CYS  12           HA       CYS  12   0.190   9.043   9.377
   79   1HB   CYS  12          1HB       CYS  12  -0.615   7.684   7.334
   80   2HB   CYS  12          2HB       CYS  12   0.129   6.672   8.547
   81    H    THR  13           H        THR  13  -0.875   9.841   7.344
   82    HA   THR  13           HA       THR  13  -3.845  10.506   7.611
   83    HB   THR  13           HB       THR  13  -3.844  12.762   7.674
   84    HG1  THR  13           HG1      THR  13  -2.802  12.996   5.685
   85   1HG2  THR  13          2HG2      THR  13  -2.220  12.428   9.664
   86   2HG2  THR  13          3HG2      THR  13  -0.842  12.646   8.546
   87   3HG2  THR  13          1HG2      THR  13  -1.953  13.992   8.855
   88    H    TRP  14           H        TRP  14  -4.757  10.983   5.731
   89    HA   TRP  14           HA       TRP  14  -3.399  10.079   3.118
   90   1HB   TRP  14          1HB       TRP  14  -6.338  10.804   3.705
   91   2HB   TRP  14          2HB       TRP  14  -5.712  10.431   2.113
   92    HD1  TRP  14           HD1      TRP  14  -3.767   7.839   3.598
   93    HE1  TRP  14           HE1      TRP  14  -4.953   5.515   3.872
   94    HE3  TRP  14           HE3      TRP  14  -8.558   9.576   3.151
   95    HZ2  TRP  14           HZ2      TRP  14  -7.686   4.694   3.847
   96    HZ3  TRP  14           HZ3      TRP  14 -10.421   7.955   3.275
   97    HH2  TRP  14           HH2      TRP  14  -9.992   5.554   3.616
   98    H    GLY  15           H        GLY  15  -2.041  11.575   2.707
   99   1HA   GLY  15          1HA       GLY  15  -1.407  13.748   1.580
  100   2HA   GLY  15          2HA       GLY  15  -2.758  14.551   2.383
  101    H    GLY  16           H        GLY  16   0.018  12.521   3.197
  102   1HA   GLY  16          1HA       GLY  16   1.187  14.183   5.484
  103   2HA   GLY  16          2HA       GLY  16   0.157  12.875   5.964
  104    H    THR  17           H        THR  17   2.058  12.231   6.916
  105    HA   THR  17           HA       THR  17   4.076  10.683   5.261
  106    HB   THR  17           HB       THR  17   3.735   9.802   8.189
  107    HG1  THR  17           HG1      THR  17   5.056  11.578   8.772
  108   1HG2  THR  17          2HG2      THR  17   5.496   8.748   6.742
  109   2HG2  THR  17          3HG2      THR  17   6.249  10.321   6.449
  110   3HG2  THR  17          1HG2      THR  17   6.197   9.633   8.088
  111    H    LYS  18           H        LYS  18   3.980   8.657   4.844
  112    HA   LYS  18           HA       LYS  18   1.633   6.770   5.546
  113   1HB   LYS  18          1HB       LYS  18   3.222   6.232   3.058
  114   2HB   LYS  18          2HB       LYS  18   1.640   5.724   3.498
  115   1HG   LYS  18          1HG       LYS  18   2.317   8.539   2.477
  116   2HG   LYS  18          2HG       LYS  18   1.605   7.233   1.545
  117   1HD   LYS  18          1HD       LYS  18  -0.463   7.263   2.997
  118   2HD   LYS  18          2HD       LYS  18   0.260   8.494   4.017
  119   1HE   LYS  18          1HE       LYS  18  -1.251   9.662   2.588
  120   2HE   LYS  18          2HE       LYS  18   0.358  10.101   2.038
  121   1HZ   LYS  18          1HZ       LYS  18   0.115   8.499   0.235
  122   2HZ   LYS  18          2HZ       LYS  18  -1.085   9.609   0.203
  123    H    CYS  19           H        CYS  19   2.558   4.596   5.040
  124    HA   CYS  19           HA       CYS  19   4.605   4.350   7.223
  125   1HB   CYS  19          1HB       CYS  19   2.741   2.304   6.017
  126   2HB   CYS  19          2HB       CYS  19   4.228   1.674   6.753
  127    H    CYS  20           H        CYS  20   6.354   3.476   7.184
  128    HA   CYS  20           HA       CYS  20   8.172   4.652   5.784
  129   1HB   CYS  20          1HB       CYS  20   8.377   3.416   7.999
  130   2HB   CYS  20          2HB       CYS  20   8.918   1.975   7.155
  131    H    ARG  21           H        ARG  21   7.554   1.217   5.202
  132    HA   ARG  21           HA       ARG  21   9.555   1.079   2.859
  133   1HB   ARG  21          1HB       ARG  21   8.138  -1.148   4.529
  134   2HB   ARG  21          2HB       ARG  21   8.942  -1.510   3.031
  135   1HG   ARG  21          1HG       ARG  21  10.509  -2.106   4.618
  136   2HG   ARG  21          2HG       ARG  21  11.123  -0.661   3.855
  137   1HD   ARG  21          1HD       ARG  21  11.632  -0.607   6.233
  138   2HD   ARG  21          2HD       ARG  21  10.511   0.706   5.892
  139   1HH1  ARG  21          2HH2      ARG  21  11.379   0.191   8.355
  140   2HH1  ARG  21          1HH2      ARG  21  10.559  -0.252   9.935
  141   1HH2  ARG  21          1HH1      ARG  21   7.975  -1.919   8.368
  142   2HH2  ARG  21          2HH1      ARG  21   8.748  -1.375   9.941
  143    H    GLY  22           H        GLY  22   7.209   2.369   2.754
  144   1HA   GLY  22          1HA       GLY  22   5.649   3.046   0.915
  145   2HA   GLY  22          2HA       GLY  22   6.245   1.706  -0.027
  146    H    ARG  23           H        ARG  23   4.661   2.034   2.985
  147    HA   ARG  23           HA       ARG  23   2.694  -0.209   2.335
  148   1HB   ARG  23          1HB       ARG  23   3.967   0.828   4.886
  149   2HB   ARG  23          2HB       ARG  23   2.510  -0.127   5.016
  150   1HG   ARG  23          1HG       ARG  23   5.257  -0.923   3.936
  151   2HG   ARG  23          2HG       ARG  23   4.494  -1.457   5.417
  152   1HD   ARG  23          1HD       ARG  23   3.641  -2.228   2.544
  153   2HD   ARG  23          2HD       ARG  23   4.481  -3.252   3.696
  154   1HH1  ARG  23          2HH2      ARG  23   2.564  -4.111   2.001
  155   2HH1  ARG  23          1HH2      ARG  23   0.935  -4.926   2.219
  156   1HH2  ARG  23          1HH1      ARG  23   0.368  -3.453   5.283
  157   2HH2  ARG  23          2HH1      ARG  23  -0.228  -4.575   3.959
  158    HA   PRO  24           HA       PRO  24  -0.539   2.998   2.393
  159   1HB   PRO  24          1HB       PRO  24  -2.770   1.420   1.916
  160   2HB   PRO  24          2HB       PRO  24  -1.487   1.630   0.717
  161   1HG   PRO  24          1HG       PRO  24  -1.835  -0.699   2.679
  162   2HG   PRO  24          2HG       PRO  24  -1.582  -0.787   0.918
  163   1HD   PRO  24          1HD       PRO  24   0.509  -1.032   2.718
  164   2HD   PRO  24          2HD       PRO  24   0.745  -0.262   1.119
  165    H    CYS  25           H        CYS  25  -2.707   3.383   3.336
  166    HA   CYS  25           HA       CYS  25  -2.828   2.595   6.300
  167   1HB   CYS  25          1HB       CYS  25  -2.481   5.306   5.074
  168   2HB   CYS  25          2HB       CYS  25  -3.819   5.216   6.261
  169    H    ARG  26           H        ARG  26  -4.768   2.590   7.198
  170    HA   ARG  26           HA       ARG  26  -7.295   2.918   5.588
  171   1HB   ARG  26          1HB       ARG  26  -6.842   0.411   5.685
  172   2HB   ARG  26          2HB       ARG  26  -6.807   0.483   7.435
  173   1HG   ARG  26          1HG       ARG  26  -8.950  -0.371   6.727
  174   2HG   ARG  26          2HG       ARG  26  -9.221   1.196   7.477
  175   1HD   ARG  26          1HD       ARG  26  -9.437   2.272   5.196
  176   2HD   ARG  26          2HD       ARG  26  -9.089   0.718   4.416
  177   1HH1  ARG  26          2HH2      ARG  26 -10.671   2.286   3.319
  178   2HH1  ARG  26          1HH2      ARG  26 -12.438   2.220   2.831
  179   1HH2  ARG  26          1HH1      ARG  26 -13.328   0.220   5.491
  180   2HH2  ARG  26          2HH1      ARG  26 -13.840   1.127   3.980
  181    H    CYS  27           H        CYS  27  -8.448   4.363   6.713
  182    HA   CYS  27           HA       CYS  27  -7.192   5.477   9.040
  183   1HB   CYS  27          1HB       CYS  27  -9.974   6.283   7.969
  184   2HB   CYS  27          2HB       CYS  27  -8.929   7.241   8.957
  185    H    SER  28           H        SER  28  -8.360   6.187  10.997
  186    HA   SER  28           HA       SER  28  -9.420   3.867  12.544
  187   1HB   SER  28          1HB       SER  28  -7.681   5.881  13.172
  188   2HB   SER  28          2HB       SER  28  -9.147   6.766  13.583
  189    HG   SER  28           HG       SER  28  -8.260   5.602  15.297
  190    H    MET  29           H        MET  29 -10.846   4.903  14.318
  191    HA   MET  29           HA       MET  29 -13.756   4.902  13.423
  192   1HB   MET  29          1HB       MET  29 -12.212   5.004  16.111
  193   2HB   MET  29          2HB       MET  29 -13.828   5.581  16.084
  194   1HG   MET  29          1HG       MET  29 -13.839   3.218  16.766
  195   2HG   MET  29          2HG       MET  29 -14.685   3.369  15.223
  196   1HE   MET  29          3HE       MET  29 -11.656   1.857  17.170
  197   2HE   MET  29          2HE       MET  29 -10.518   1.362  15.883
  198   3HE   MET  29          1HE       MET  29 -10.720   3.094  16.273
  199    H    ILE  30           H        ILE  30 -11.517   7.252  13.731
  200    HA   ILE  30           HA       ILE  30 -13.374   9.533  13.396
  201    HB   ILE  30           HB       ILE  30 -10.879   9.831  15.216
  202   1HG1  ILE  30          1HG1      ILE  30 -13.869  10.314  15.885
  203   2HG1  ILE  30          2HG1      ILE  30 -12.990   8.870  16.347
  204   1HG2  ILE  30          1HG2      ILE  30 -11.253  11.779  13.584
  205   2HG2  ILE  30          2HG2      ILE  30 -12.915  11.959  14.183
  206   3HG2  ILE  30          3HG2      ILE  30 -11.528  12.275  15.254
  207   1HD1  ILE  30          1HD1      ILE  30 -11.376  10.226  17.736
  208   2HD1  ILE  30          2HD1      ILE  30 -12.318  11.695  17.362
  209   3HD1  ILE  30          3HD1      ILE  30 -13.068  10.366  18.270
  210    H    GLY  31           H        GLY  31 -12.906   8.834  11.585
  211   1HA   GLY  31          2HA       GLY  31 -10.836   7.861   9.981
  212   2HA   GLY  31          1HA       GLY  31 -12.081   8.811   9.215
  213    H    THR  32           H        THR  32 -11.215  11.070  10.835
  214    HA   THR  32           HA       THR  32  -8.797  12.045   9.110
  215    HB   THR  32           HB       THR  32  -8.702  14.137  10.264
  216    HG1  THR  32           HG1      THR  32  -9.951  13.589  12.125
  217   1HG2  THR  32          1HG2      THR  32  -9.965  14.019   8.066
  218   2HG2  THR  32          2HG2      THR  32 -11.484  13.660   8.928
  219   3HG2  THR  32          3HG2      THR  32 -10.699  15.247   9.120
  220    H    ASN  33           H        ASN  33  -7.056  11.841   9.976
  221    HA   ASN  33           HA       ASN  33  -5.130  11.255  11.406
  222   1HB   ASN  33          1HB       ASN  33  -7.153  10.824  13.749
  223   2HB   ASN  33          2HB       ASN  33  -5.517  10.347  13.806
  224   1HD2  ASN  33          1HD2      ASN  33  -6.324  14.278  14.480
  225   2HD2  ASN  33          2HD2      ASN  33  -7.625  13.035  14.120
  226    H    CYS  34           H        CYS  34  -5.512   9.747   9.659
  227    HA   CYS  34           HA       CYS  34  -6.793   7.114   9.969
  228   1HB   CYS  34          1HB       CYS  34  -4.483   7.880   8.100
  229   2HB   CYS  34          2HB       CYS  34  -5.500   6.472   7.909
  230    H    GLU  35           H        GLU  35  -5.509   5.027   9.747
  231    HA   GLU  35           HA       GLU  35  -2.788   5.104  11.211
  232   1HB   GLU  35          1HB       GLU  35  -4.374   2.604  11.789
  233   2HB   GLU  35          2HB       GLU  35  -3.134   3.392  12.671
  234   1HG   GLU  35          1HG       GLU  35  -4.617   5.156  13.556
  235   2HG   GLU  35          2HG       GLU  35  -5.989   4.472  12.684
  236    HE2  GLU  35           HE2      GLU  35  -6.590   1.912  14.892
  237    H    CYS  36           H        CYS  36  -1.763   2.925  11.060
  238    HA   CYS  36           HA       CYS  36  -1.347   2.446   8.058
  239   1HB   CYS  36          1HB       CYS  36   0.498   2.176  10.548
  240   2HB   CYS  36          2HB       CYS  36   0.892   1.190   9.242
  241    H    THR  37           H        THR  37  -0.892   0.338   7.230
  242    HA   THR  37           HA       THR  37  -2.887  -1.693   8.290
  243    HB   THR  37           HB       THR  37  -2.696  -2.741   6.036
  244    HG1  THR  37           HG1      THR  37  -1.692  -1.448   4.420
  245   1HG2  THR  37          2HG2      THR  37  -4.488  -1.016   6.479
  246   2HG2  THR  37          3HG2      THR  37  -3.379   0.285   5.981
  247   3HG2  THR  37          1HG2      THR  37  -3.923  -0.922   4.795
  248    HA   PRO  38           HA       PRO  38   0.623  -4.562   9.558
  249   1HB   PRO  38          1HB       PRO  38  -1.788  -6.465   9.637
  250   2HB   PRO  38          2HB       PRO  38  -0.517  -6.245  10.852
  251   1HG   PRO  38          1HG       PRO  38  -3.035  -5.201  11.185
  252   2HG   PRO  38          2HG       PRO  38  -1.610  -4.322  11.766
  253   1HD   PRO  38          1HD       PRO  38  -3.262  -3.767   9.277
  254   2HD   PRO  38          2HD       PRO  38  -2.428  -2.628  10.338
  255    H    ARG  39           H        ARG  39   1.580  -6.422   8.821
  256    HA   ARG  39           HA       ARG  39   0.543  -7.782   6.302
  257   1HB   ARG  39          1HB       ARG  39   2.766  -7.702   5.197
  258   2HB   ARG  39          2HB       ARG  39   1.998  -6.148   5.312
  259   1HG   ARG  39          1HG       ARG  39   3.526  -5.409   7.114
  260   2HG   ARG  39          2HG       ARG  39   4.290  -6.999   7.194
  261   1HD   ARG  39          1HD       ARG  39   5.175  -6.792   4.892
  262   2HD   ARG  39          2HD       ARG  39   4.278  -5.289   4.632
  263   1HH1  ARG  39          2HH2      ARG  39   6.287  -5.203   3.448
  264   2HH1  ARG  39          1HH2      ARG  39   7.833  -4.215   3.492
  265   1HH2  ARG  39          1HH1      ARG  39   7.753  -3.828   6.912
  266   2HH2  ARG  39          2HH1      ARG  39   8.604  -3.490   5.322
  267    H    LEU  40           H        LEU  40   0.644  -9.819   6.571
  268    HA   LEU  40           HA       LEU  40   0.843 -11.976   7.592
  269   1HB   LEU  40          1HB       LEU  40   2.955 -12.916   7.007
  270   2HB   LEU  40          2HB       LEU  40   2.642 -11.752   5.798
  271    HG   LEU  40           HG       LEU  40   4.430 -10.713   8.008
  272   1HD1  LEU  40          1HD1      LEU  40   5.190 -13.089   7.993
  273   2HD1  LEU  40          2HD1      LEU  40   5.473 -13.008   6.239
  274   3HD1  LEU  40          3HD1      LEU  40   6.441 -12.007   7.353
  275   1HD2  LEU  40          2HD2      LEU  40   4.108  -9.443   5.851
  276   2HD2  LEU  40          3HD2      LEU  40   5.805  -9.867   6.117
  277   3HD2  LEU  40          1HD2      LEU  40   4.829 -10.789   4.945
  278    H    ILE  41           H        ILE  41   3.064 -13.078   9.051
  279    HA   ILE  41           HA       ILE  41   3.859 -13.519  11.221
  280    HB   ILE  41           HB       ILE  41   2.928 -10.645  12.060
  281   1HG1  ILE  41          1HG1      ILE  41   4.560 -10.373  10.256
  282   2HG1  ILE  41          2HG1      ILE  41   5.272  -9.926  11.772
  283   1HG2  ILE  41          1HG2      ILE  41   4.906 -12.634  13.390
  284   2HG2  ILE  41          2HG2      ILE  41   4.630 -10.955  13.912
  285   3HG2  ILE  41          3HG2      ILE  41   3.325 -12.141  14.029
  286   1HD1  ILE  41          2HD1      ILE  41   5.860 -12.578  10.287
  287   2HD1  ILE  41          3HD1      ILE  41   6.899 -11.137  10.329
  288   3HD1  ILE  41          1HD1      ILE  41   6.620 -12.068  11.817
  289    H    MET  42           H        MET  42   2.708 -14.993  12.189
  290    HA   MET  42           HA       MET  42   0.099 -14.269  13.664
  291   1HB   MET  42          1HB       MET  42  -0.646 -16.566  13.495
  292   2HB   MET  42          2HB       MET  42  -0.356 -15.963  11.890
  293   1HG   MET  42          1HG       MET  42   1.781 -17.297  11.753
  294   2HG   MET  42          2HG       MET  42   1.538 -17.877  13.408
  295   1HE   MET  42          1HE       MET  42  -1.105 -18.950  14.052
  296   2HE   MET  42          3HE       MET  42  -1.257 -20.493  13.161
  297   3HE   MET  42          2HE       MET  42   0.296 -20.060  13.936
  298    H    GLU  43           H        GLU  43  -0.173 -15.483  15.661
  299    HA   GLU  43           HA       GLU  43   2.188 -15.116  17.420
  300   1HB   GLU  43          1HB       GLU  43  -0.611 -16.310  18.021
  301   2HB   GLU  43          2HB       GLU  43   0.612 -15.997  19.240
  302   1HG   GLU  43          1HG       GLU  43   0.613 -13.534  18.671
  303   2HG   GLU  43          2HG       GLU  43  -0.658 -13.804  17.484
  304    HE1  GLU  43           HE2      GLU  43  -3.225 -14.140  19.768
  305    H    GLY  44           H        GLY  44   3.381 -16.556  18.469
  306   1HA   GLY  44          1HA       GLY  44   4.240 -18.743  19.173
  307   2HA   GLY  44          2HA       GLY  44   3.108 -19.575  18.125
  308    H    LEU  45           H        LEU  45   3.784 -20.080  16.078
  309    HA   LEU  45           HA       LEU  45   6.620 -19.354  15.164
  310   1HB   LEU  45          1HB       LEU  45   4.616 -21.406  14.043
  311   2HB   LEU  45          2HB       LEU  45   6.177 -21.055  13.328
  312    HG   LEU  45           HG       LEU  45   5.805 -22.220  16.150
  313   1HD1  LEU  45          3HD1      LEU  45   5.035 -23.811  14.381
  314   2HD1  LEU  45          1HD1      LEU  45   6.583 -23.644  13.519
  315   3HD1  LEU  45          2HD1      LEU  45   6.531 -24.390  15.137
  316   1HD2  LEU  45          2HD2      LEU  45   8.387 -21.888  14.472
  317   2HD2  LEU  45          3HD2      LEU  45   7.992 -21.013  15.972
  318   3HD2  LEU  45          1HD2      LEU  45   8.265 -22.761  16.020
  319    H    SER  46           H        SER  46   6.749 -17.633  13.922
  320    HA   SER  46           HA       SER  46   4.356 -16.202  12.912
  321   1HB   SER  46          1HB       SER  46   7.378 -15.577  12.608
  322   2HB   SER  46          2HB       SER  46   6.070 -14.492  12.129
  323    HG   SER  46           HG       SER  46   6.469 -15.547  14.729
  324    H    PHE  47           H        PHE  47   3.393 -16.564  11.100
  325    HA   PHE  47           HA       PHE  47   4.899 -17.297   8.528
  326   1HB   PHE  47          1HB       PHE  47   2.329 -18.692   9.538
  327   2HB   PHE  47          2HB       PHE  47   3.049 -18.921   7.969
  328    HD1  PHE  47           HD2      PHE  47   5.772 -19.601   8.130
  329    HD2  PHE  47           HD1      PHE  47   2.728 -20.467  11.052
  330    HE1  PHE  47           HE2      PHE  47   7.086 -21.511   8.952
  331    HE2  PHE  47           HE1      PHE  47   4.043 -22.388  11.835
  332    HZ   PHE  47           HZ       PHE  47   6.226 -22.908  10.803
  333    H    ALA  48           H        ALA  48   1.443 -16.916   9.331
  334    HA   ALA  48           HA       ALA  48   1.273 -14.238   7.916
  335   1HB   ALA  48          2HB       ALA  48  -0.236 -16.724   6.822
  336   2HB   ALA  48          3HB       ALA  48  -0.450 -15.045   6.265
  337   3HB   ALA  48          1HB       ALA  48   1.098 -15.870   6.008
  338    HXT  ALA  48           HO       ALA  48  -1.188 -13.622  10.167
   
  No H/Q in entry =         338
  Start of MODEL          22
 Raw file had  348 H/Q atoms
  Start of MODEL   22
    1   1H    GLU   1          2H        GLU   1   9.435  16.591  14.054
    2   2H    GLU   1          3H        GLU   1   9.608  15.094  14.732
    3   3H    GLU   1          1H        GLU   1  10.823  16.206  14.862
    4    HA   GLU   1           HA       GLU   1  11.220  16.166  12.460
    5   1HB   GLU   1          1HB       GLU   1  12.495  14.645  14.029
    6   2HB   GLU   1          2HB       GLU   1  11.240  13.428  13.928
    7   1HG   GLU   1          1HG       GLU   1  13.118  12.732  12.574
    8   2HG   GLU   1          2HG       GLU   1  11.764  13.029  11.506
    9    HE2  GLU   1           HE2      GLU   1  13.280  15.563   9.727
   10    H    ASP   2           H        ASP   2   9.346  13.210  13.093
   11    HA   ASP   2           HA       ASP   2   7.670  12.024  11.859
   12   1HB   ASP   2          1HB       ASP   2   6.844  14.856  10.845
   13   2HB   ASP   2          2HB       ASP   2   5.971  13.381  10.513
   14    HD2  ASP   2           HD2      ASP   2   6.794  15.659  12.793
   15    H    ASN   3           H        ASN   3   9.134  10.913  10.655
   16    HA   ASN   3           HA       ASN   3  10.037  11.947   7.919
   17   1HB   ASN   3          1HB       ASN   3  11.768  11.344   9.704
   18   2HB   ASN   3          2HB       ASN   3  11.194   9.697   9.657
   19   1HD2  ASN   3          1HD2      ASN   3  13.732  11.013   6.717
   20   2HD2  ASN   3          2HD2      ASN   3  13.080  12.118   8.029
   21    H    CYS   4           H        CYS   4   9.624   9.003   9.078
   22    HA   CYS   4           HA       CYS   4   7.356   8.152   7.090
   23   1HB   CYS   4          1HB       CYS   4   8.130   6.070   6.941
   24   2HB   CYS   4          2HB       CYS   4   9.252   7.037   6.132
   25    H    ILE   5           H        ILE   5   6.422   5.975   7.739
   26    HA   ILE   5           HA       ILE   5   5.772   6.009  10.792
   27    HB   ILE   5           HB       ILE   5   3.742   4.769   8.830
   28   1HG1  ILE   5          1HG1      ILE   5   3.552   7.505  10.111
   29   2HG1  ILE   5          2HG1      ILE   5   4.015   7.295   8.448
   30   1HG2  ILE   5          2HG2      ILE   5   3.718   3.921  11.206
   31   2HG2  ILE   5          3HG2      ILE   5   3.441   5.587  11.786
   32   3HG2  ILE   5          1HG2      ILE   5   2.255   4.758  10.766
   33   1HD1  ILE   5          1HD1      ILE   5   1.339   6.319   9.527
   34   2HD1  ILE   5          2HD1      ILE   5   1.645   7.765   8.542
   35   3HD1  ILE   5          3HD1      ILE   5   1.902   6.146   7.857
   36    H    ALA   6           H        ALA   6   7.241   4.471  11.405
   37    HA   ALA   6           HA       ALA   6   7.882   2.144   9.562
   38   1HB   ALA   6          2HB       ALA   6   9.722   3.258  10.971
   39   2HB   ALA   6          3HB       ALA   6   8.891   2.769  12.474
   40   3HB   ALA   6          1HB       ALA   6   9.587   1.540  11.390
   41    H    GLU   7           H        GLU   7   5.375   2.601  11.216
   42    HA   GLU   7           HA       GLU   7   4.887  -0.166  12.432
   43   1HB   GLU   7          1HB       GLU   7   3.820   2.612  13.237
   44   2HB   GLU   7          2HB       GLU   7   3.247   1.129  13.967
   45   1HG   GLU   7          1HG       GLU   7   5.554   0.610  14.845
   46   2HG   GLU   7          2HG       GLU   7   6.159   2.111  14.145
   47    HE1  GLU   7           HE2      GLU   7   3.918   2.106  17.505
   48    H    ASP   8           H        ASP   8   3.422  -1.415  12.104
   49    HA   ASP   8           HA       ASP   8   1.153  -0.804  10.198
   50   1HB   ASP   8          1HB       ASP   8   0.259  -3.126  11.020
   51   2HB   ASP   8          2HB       ASP   8   1.561  -2.957   9.852
   52    HD1  ASP   8           HD2      ASP   8   0.799  -3.717  13.051
   53    H    TYR   9           H        TYR   9  -0.562  -0.191  10.885
   54    HA   TYR   9           HA       TYR   9  -2.188   1.103  12.160
   55   1HB   TYR   9          1HB       TYR   9  -1.622  -1.031  14.363
   56   2HB   TYR   9          2HB       TYR   9  -3.010   0.016  14.275
   57    HD1  TYR   9           HD2      TYR   9  -4.529  -0.125  12.097
   58    HD2  TYR   9           HD1      TYR   9  -1.650  -3.160  13.105
   59    HE1  TYR   9           HE2      TYR   9  -5.562  -1.657  10.476
   60    HE2  TYR   9           HE1      TYR   9  -2.691  -4.676  11.486
   61    HH   TYR   9           HH       TYR   9  -5.487  -3.655   9.523
   62    H    GLY  10           H        GLY  10   0.392   2.065  12.085
   63   1HA   GLY  10          1HA       GLY  10   1.182   3.562  14.583
   64   2HA   GLY  10          2HA       GLY  10   1.678   3.861  12.967
   65    H    LYS  11           H        LYS  11   1.301   6.008  13.772
   66    HA   LYS  11           HA       LYS  11  -1.593   6.998  13.217
   67   1HB   LYS  11          1HB       LYS  11  -0.726   9.342  13.743
   68   2HB   LYS  11          2HB       LYS  11  -0.961   8.227  15.029
   69   1HG   LYS  11          1HG       LYS  11   1.561   7.908  15.239
   70   2HG   LYS  11          2HG       LYS  11   1.808   8.919  13.814
   71   1HD   LYS  11          1HD       LYS  11   0.757  10.882  15.028
   72   2HD   LYS  11          2HD       LYS  11   0.535   9.871  16.461
   73   1HE   LYS  11          1HE       LYS  11   3.050   9.531  16.616
   74   2HE   LYS  11          2HE       LYS  11   3.278  10.523  15.168
   75   1HZ   LYS  11          1HZ       LYS  11   2.308  12.390  16.331
   76   2HZ   LYS  11          2HZ       LYS  11   3.599  11.808  17.148
   77    H    CYS  12           H        CYS  12  -2.004   7.864  11.506
   78    HA   CYS  12           HA       CYS  12   0.016   8.813   9.408
   79   1HB   CYS  12          1HB       CYS  12  -0.779   7.451   7.599
   80   2HB   CYS  12          2HB       CYS  12  -0.718   6.290   8.895
   81    H    THR  13           H        THR  13  -1.219   9.534   7.457
   82    HA   THR  13           HA       THR  13  -3.989  10.627   7.967
   83    HB   THR  13           HB       THR  13  -2.939  12.942   6.770
   84    HG1  THR  13           HG1      THR  13  -1.292  12.176   8.978
   85   1HG2  THR  13          3HG2      THR  13  -4.707  12.890   8.542
   86   2HG2  THR  13          1HG2      THR  13  -3.484  12.499   9.782
   87   3HG2  THR  13          2HG2      THR  13  -3.442  14.071   8.946
   88    H    TRP  14           H        TRP  14  -5.042  11.161   6.206
   89    HA   TRP  14           HA       TRP  14  -4.126  10.011   3.491
   90   1HB   TRP  14          1HB       TRP  14  -6.942  10.824   4.435
   91   2HB   TRP  14          2HB       TRP  14  -6.528  10.467   2.771
   92    HD1  TRP  14           HD1      TRP  14  -4.571   7.784   4.641
   93    HE1  TRP  14           HE1      TRP  14  -5.887   5.542   4.781
   94    HE3  TRP  14           HE3      TRP  14  -9.171   9.662   3.303
   95    HZ2  TRP  14           HZ2      TRP  14  -8.604   4.797   4.340
   96    HZ3  TRP  14           HZ3      TRP  14 -11.091   8.108   3.208
   97    HH2  TRP  14           HH2      TRP  14 -10.812   5.715   3.719
   98    H    GLY  15           H        GLY  15  -2.846  11.451   2.837
   99   1HA   GLY  15          1HA       GLY  15  -2.089  13.612   1.821
  100   2HA   GLY  15          2HA       GLY  15  -3.431  14.466   2.630
  101    H    GLY  16           H        GLY  16  -0.704  12.325   3.325
  102   1HA   GLY  16          2HA       GLY  16  -0.023  13.558   6.104
  103   2HA   GLY  16          1HA       GLY  16  -0.692  12.031   5.920
  104    H    THR  17           H        THR  17   1.126  11.496   7.087
  105    HA   THR  17           HA       THR  17   3.464  10.533   5.354
  106    HB   THR  17           HB       THR  17   3.117   9.542   8.254
  107    HG1  THR  17           HG1      THR  17   2.977  11.839   8.259
  108   1HG2  THR  17          2HG2      THR  17   4.996   8.566   6.839
  109   2HG2  THR  17          3HG2      THR  17   5.652  10.173   6.546
  110   3HG2  THR  17          1HG2      THR  17   5.627   9.493   8.187
  111    H    LYS  18           H        LYS  18   3.702   8.423   4.958
  112    HA   LYS  18           HA       LYS  18   1.490   6.339   5.524
  113   1HB   LYS  18          1HB       LYS  18   3.208   5.976   3.082
  114   2HB   LYS  18          2HB       LYS  18   1.705   5.264   3.480
  115   1HG   LYS  18          1HG       LYS  18   1.929   8.191   2.566
  116   2HG   LYS  18          2HG       LYS  18   1.549   6.822   1.533
  117   1HD   LYS  18          1HD       LYS  18  -0.513   6.316   2.838
  118   2HD   LYS  18          2HD       LYS  18  -0.161   7.625   3.974
  119   1HE   LYS  18          1HE       LYS  18  -0.384   9.333   2.144
  120   2HE   LYS  18          2HE       LYS  18  -0.659   8.053   0.949
  121   1HZ   LYS  18          1HZ       LYS  18  -2.377   8.553   3.316
  122   2HZ   LYS  18          2HZ       LYS  18  -2.631   7.393   2.193
  123    H    CYS  19           H        CYS  19   2.548   4.283   5.088
  124    HA   CYS  19           HA       CYS  19   4.586   4.064   7.259
  125   1HB   CYS  19          1HB       CYS  19   2.881   1.962   5.980
  126   2HB   CYS  19          2HB       CYS  19   4.446   1.378   6.613
  127    H    CYS  20           H        CYS  20   6.386   3.300   7.223
  128    HA   CYS  20           HA       CYS  20   8.127   4.632   5.820
  129   1HB   CYS  20          1HB       CYS  20   8.397   3.493   8.077
  130   2HB   CYS  20          2HB       CYS  20   9.089   2.082   7.275
  131    H    ARG  21           H        ARG  21   7.704   1.154   5.390
  132    HA   ARG  21           HA       ARG  21   9.715   0.952   3.083
  133   1HB   ARG  21          1HB       ARG  21   9.712  -0.661   5.226
  134   2HB   ARG  21          2HB       ARG  21   8.254  -1.377   4.554
  135   1HG   ARG  21          1HG       ARG  21   9.640  -2.024   2.476
  136   2HG   ARG  21          2HG       ARG  21  11.050  -1.282   3.231
  137   1HD   ARG  21          1HD       ARG  21  10.867  -2.919   5.167
  138   2HD   ARG  21          2HD       ARG  21   9.431  -3.643   4.420
  139   1HH1  ARG  21          2HH2      ARG  21  10.823  -5.406   5.382
  140   2HH1  ARG  21          1HH2      ARG  21  11.833  -6.808   4.763
  141   1HH2  ARG  21          1HH1      ARG  21  12.664  -5.191   1.831
  142   2HH2  ARG  21          2HH1      ARG  21  12.811  -6.692   2.877
  143    H    GLY  22           H        GLY  22   7.296   2.109   2.859
  144   1HA   GLY  22          1HA       GLY  22   5.868   2.596   0.854
  145   2HA   GLY  22          2HA       GLY  22   6.545   1.188   0.083
  146    H    ARG  23           H        ARG  23   4.715   1.793   2.890
  147    HA   ARG  23           HA       ARG  23   2.665  -0.419   2.254
  148   1HB   ARG  23          1HB       ARG  23   4.036   0.517   4.775
  149   2HB   ARG  23          2HB       ARG  23   2.537  -0.346   4.940
  150   1HG   ARG  23          1HG       ARG  23   5.167  -1.349   3.666
  151   2HG   ARG  23          2HG       ARG  23   4.611  -1.635   5.295
  152   1HD   ARG  23          1HD       ARG  23   4.101  -3.679   4.249
  153   2HD   ARG  23          2HD       ARG  23   2.545  -2.876   4.349
  154   1HH1  ARG  23          2HH2      ARG  23   5.726  -3.659   2.666
  155   2HH1  ARG  23          1HH2      ARG  23   5.962  -4.008   0.881
  156   1HH2  ARG  23          1HH1      ARG  23   2.723  -3.137   0.069
  157   2HH2  ARG  23          2HH1      ARG  23   4.364  -3.729  -0.498
  158    HA   PRO  24           HA       PRO  24  -0.136   3.273   2.136
  159   1HB   PRO  24          1HB       PRO  24  -2.190   0.982   1.891
  160   2HB   PRO  24          2HB       PRO  24  -2.127   2.498   0.969
  161   1HG   PRO  24          1HG       PRO  24  -1.209   0.237  -0.200
  162   2HG   PRO  24          2HG       PRO  24  -0.235   1.714  -0.347
  163   1HD   PRO  24          1HD       PRO  24   0.231  -0.639   1.583
  164   2HD   PRO  24          2HD       PRO  24   1.395   0.286   0.590
  165    H    CYS  25           H        CYS  25  -1.910   4.115   3.206
  166    HA   CYS  25           HA       CYS  25  -2.266   3.150   6.101
  167   1HB   CYS  25          1HB       CYS  25  -1.263   5.105   6.532
  168   2HB   CYS  25          2HB       CYS  25  -1.526   5.783   4.916
  169    H    ARG  26           H        ARG  26  -4.238   3.475   7.029
  170    HA   ARG  26           HA       ARG  26  -6.740   3.690   5.356
  171   1HB   ARG  26          1HB       ARG  26  -6.020   1.309   5.113
  172   2HB   ARG  26          2HB       ARG  26  -5.935   1.113   6.861
  173   1HG   ARG  26          1HG       ARG  26  -8.438   1.511   6.996
  174   2HG   ARG  26          2HG       ARG  26  -8.500   1.697   5.238
  175   1HD   ARG  26          1HD       ARG  26  -7.652  -0.658   4.925
  176   2HD   ARG  26          2HD       ARG  26  -7.445  -0.834   6.677
  177   1HH1  ARG  26          2HH2      ARG  26  -8.023  -2.861   6.317
  178   2HH1  ARG  26          1HH2      ARG  26  -9.446  -3.994   6.558
  179   1HH2  ARG  26          1HH1      ARG  26 -11.785  -1.493   6.215
  180   2HH2  ARG  26          2HH1      ARG  26 -11.429  -3.270   6.504
  181    H    CYS  27           H        CYS  27  -8.100   4.854   6.623
  182    HA   CYS  27           HA       CYS  27  -7.054   5.799   9.095
  183   1HB   CYS  27          1HB       CYS  27  -9.904   6.252   8.024
  184   2HB   CYS  27          2HB       CYS  27  -9.193   7.198   9.282
  185    H    SER  28           H        SER  28  -8.443   6.092  11.087
  186    HA   SER  28           HA       SER  28  -9.233   3.603  12.489
  187   1HB   SER  28          1HB       SER  28  -8.360   6.016  13.391
  188   2HB   SER  28          2HB       SER  28 -10.065   6.440  13.392
  189    HG   SER  28           HG       SER  28 -10.407   4.543  14.647
  190    H    MET  29           H        MET  29 -11.311   4.185  13.847
  191    HA   MET  29           HA       MET  29 -13.423   2.820  12.198
  192   1HB   MET  29          1HB       MET  29 -13.403   3.752  15.164
  193   2HB   MET  29          2HB       MET  29 -14.736   2.888  14.442
  194   1HG   MET  29          1HG       MET  29 -11.884   1.767  14.776
  195   2HG   MET  29          2HG       MET  29 -13.313   1.344  15.720
  196   1HE   MET  29          1HE       MET  29 -11.547   1.048  12.158
  197   2HE   MET  29          3HE       MET  29 -11.117  -0.237  13.328
  198   3HE   MET  29          2HE       MET  29 -12.038  -0.643  11.850
  199    H    ILE  30           H        ILE  30 -13.188   5.994  13.672
  200    HA   ILE  30           HA       ILE  30 -15.970   6.870  12.805
  201    HB   ILE  30           HB       ILE  30 -14.893   7.692  14.998
  202   1HG1  ILE  30          1HG1      ILE  30 -15.344  10.177  14.685
  203   2HG1  ILE  30          2HG1      ILE  30 -15.443   9.963  12.948
  204   1HG2  ILE  30          2HG2      ILE  30 -12.468   7.929  14.156
  205   2HG2  ILE  30          3HG2      ILE  30 -12.956   9.358  13.217
  206   3HG2  ILE  30          1HG2      ILE  30 -13.059   9.373  14.987
  207   1HD1  ILE  30          2HD1      ILE  30 -17.335   8.651  15.028
  208   2HD1  ILE  30          3HD1      ILE  30 -17.697  10.092  14.049
  209   3HD1  ILE  30          1HD1      ILE  30 -17.507   8.515  13.256
  210    H    GLY  31           H        GLY  31 -12.651   7.468  11.668
  211   1HA   GLY  31          1HA       GLY  31 -12.668   7.623   8.945
  212   2HA   GLY  31          2HA       GLY  31 -13.739   8.989   9.223
  213    H    THR  32           H        THR  32 -12.485  10.016  11.504
  214    HA   THR  32           HA       THR  32  -9.966  11.354  10.386
  215    HB   THR  32           HB       THR  32 -10.125  12.806  12.459
  216    HG1  THR  32           HG1      THR  32 -12.077  12.679  13.643
  217   1HG2  THR  32          1HG2      THR  32 -11.281  13.581  10.337
  218   2HG2  THR  32          2HG2      THR  32 -12.787  12.780  10.859
  219   3HG2  THR  32          3HG2      THR  32 -12.129  14.139  11.796
  220    H    ASN  33           H        ASN  33  -8.213  11.599  12.027
  221    HA   ASN  33           HA       ASN  33  -6.398  10.784  13.259
  222   1HB   ASN  33          1HB       ASN  33  -6.761   9.727  15.341
  223   2HB   ASN  33          2HB       ASN  33  -8.123  10.772  15.140
  224   1HD2  ASN  33          1HD2      ASN  33  -8.844   6.977  16.196
  225   2HD2  ASN  33          2HD2      ASN  33  -7.148   7.612  15.901
  226    H    CYS  34           H        CYS  34  -6.559   9.883  10.918
  227    HA   CYS  34           HA       CYS  34  -6.951   7.166  10.384
  228   1HB   CYS  34          1HB       CYS  34  -4.889   8.863   8.933
  229   2HB   CYS  34          2HB       CYS  34  -5.565   7.387   8.302
  230    H    GLU  35           H        GLU  35  -5.439   5.380   9.844
  231    HA   GLU  35           HA       GLU  35  -2.775   5.425  11.417
  232   1HB   GLU  35          1HB       GLU  35  -4.517   2.897  11.397
  233   2HB   GLU  35          2HB       GLU  35  -3.178   3.222  12.380
  234   1HG   GLU  35          1HG       GLU  35  -4.318   4.943  13.746
  235   2HG   GLU  35          2HG       GLU  35  -5.801   4.742  12.819
  236    HE1  GLU  35           HE2      GLU  35  -4.580   1.903  15.455
  237    H    CYS  36           H        CYS  36  -1.785   3.162  11.039
  238    HA   CYS  36           HA       CYS  36  -1.139   2.950   8.008
  239   1HB   CYS  36          1HB       CYS  36   0.565   2.404  10.502
  240   2HB   CYS  36          2HB       CYS  36   0.803   1.262   9.270
  241    H    THR  37           H        THR  37  -1.014   0.823   7.026
  242    HA   THR  37           HA       THR  37  -2.237  -1.521   8.547
  243    HB   THR  37           HB       THR  37  -4.177  -0.578   7.576
  244    HG1  THR  37           HG1      THR  37  -3.267  -2.724   5.983
  245   1HG2  THR  37          3HG2      THR  37  -2.777  -0.667   4.778
  246   2HG2  THR  37          1HG2      THR  37  -4.519  -0.426   5.006
  247   3HG2  THR  37          2HG2      THR  37  -3.374   0.792   5.601
  248    HA   PRO  38           HA       PRO  38   1.169  -3.425   6.130
  249   1HB   PRO  38          1HB       PRO  38   1.193  -5.898   7.313
  250   2HB   PRO  38          2HB       PRO  38   1.590  -4.429   8.204
  251   1HG   PRO  38          1HG       PRO  38  -1.069  -5.952   8.181
  252   2HG   PRO  38          2HG       PRO  38  -0.188  -5.317   9.590
  253   1HD   PRO  38          1HD       PRO  38  -2.323  -3.948   8.337
  254   2HD   PRO  38          2HD       PRO  38  -1.060  -3.121   9.241
  255    H    ARG  39           H        ARG  39   0.201  -3.282   4.054
  256    HA   ARG  39           HA       ARG  39  -1.804  -5.353   3.189
  257   1HB   ARG  39          1HB       ARG  39  -0.502  -3.072   1.548
  258   2HB   ARG  39          2HB       ARG  39  -1.806  -4.128   1.027
  259   1HG   ARG  39          1HG       ARG  39  -3.121  -3.260   3.166
  260   2HG   ARG  39          2HG       ARG  39  -1.890  -2.001   3.219
  261   1HD   ARG  39          1HD       ARG  39  -2.488  -1.297   0.870
  262   2HD   ARG  39          2HD       ARG  39  -3.685  -2.596   0.768
  263   1HH1  ARG  39          2HH2      ARG  39  -4.381  -0.655  -0.403
  264   2HH1  ARG  39          1HH2      ARG  39  -5.741   0.570  -0.270
  265   1HH2  ARG  39          1HH1      ARG  39  -5.853   0.392   3.172
  266   2HH2  ARG  39          2HH1      ARG  39  -6.519   1.123   1.626
  267    H    LEU  40           H        LEU  40  -1.297  -7.196   2.355
  268    HA   LEU  40           HA       LEU  40   1.416  -8.019   1.385
  269   1HB   LEU  40          1HB       LEU  40  -1.328  -9.443   1.250
  270   2HB   LEU  40          2HB       LEU  40   0.184 -10.185   0.777
  271    HG   LEU  40           HG       LEU  40  -0.442  -9.228   3.636
  272   1HD1  LEU  40          2HD1      LEU  40  -1.912 -11.127   2.955
  273   2HD1  LEU  40          3HD1      LEU  40  -0.492 -12.089   2.474
  274   3HD1  LEU  40          1HD1      LEU  40  -0.740 -11.644   4.182
  275   1HD2  LEU  40          2HD2      LEU  40   1.938 -10.917   2.601
  276   2HD2  LEU  40          3HD2      LEU  40   2.027  -9.258   3.243
  277   3HD2  LEU  40          1HD2      LEU  40   1.567 -10.591   4.313
  278    H    ILE  41           H        ILE  41  -1.754  -7.777  -0.241
  279    HA   ILE  41           HA       ILE  41  -0.378  -7.141  -2.916
  280    HB   ILE  41           HB       ILE  41  -3.425  -7.493  -2.409
  281   1HG1  ILE  41          1HG1      ILE  41  -2.402  -9.694  -2.174
  282   2HG1  ILE  41          2HG1      ILE  41  -3.250  -9.605  -3.690
  283   1HG2  ILE  41          3HG2      ILE  41  -1.773  -7.106  -5.019
  284   2HG2  ILE  41          1HG2      ILE  41  -3.509  -7.497  -4.958
  285   3HG2  ILE  41          2HG2      ILE  41  -2.931  -5.953  -4.323
  286   1HD1  ILE  41          1HD1      ILE  41  -1.030  -9.388  -4.930
  287   2HD1  ILE  41          2HD1      ILE  41  -0.172  -9.488  -3.369
  288   3HD1  ILE  41          3HD1      ILE  41  -1.132 -10.865  -3.948
  289    H    MET  42           H        MET  42   0.228  -5.121  -2.883
  290    HA   MET  42           HA       MET  42  -0.506  -3.114  -0.930
  291   1HB   MET  42          1HB       MET  42   1.689  -3.392  -2.306
  292   2HB   MET  42          2HB       MET  42   0.864  -2.700  -3.697
  293   1HG   MET  42          1HG       MET  42   0.556  -0.539  -2.392
  294   2HG   MET  42          2HG       MET  42   1.336  -1.302  -0.987
  295   1HE   MET  42          3HE       MET  42   2.783   1.055  -1.291
  296   2HE   MET  42          2HE       MET  42   4.007   1.266  -2.577
  297   3HE   MET  42          1HE       MET  42   2.268   1.435  -2.963
  298    H    GLU  43           H        GLU  43  -1.630  -3.358  -4.300
  299    HA   GLU  43           HA       GLU  43  -3.244  -0.832  -4.215
  300   1HB   GLU  43          1HB       GLU  43  -4.140  -1.564  -6.392
  301   2HB   GLU  43          2HB       GLU  43  -2.398  -1.650  -6.361
  302   1HG   GLU  43          1HG       GLU  43  -2.550  -4.202  -6.085
  303   2HG   GLU  43          2HG       GLU  43  -4.302  -4.082  -6.187
  304    HE1  GLU  43           HE2      GLU  43  -1.953  -3.701  -9.451
  305    H    GLY  44           H        GLY  44  -5.246  -0.557  -3.597
  306   1HA   GLY  44          1HA       GLY  44  -7.448  -2.429  -3.593
  307   2HA   GLY  44          2HA       GLY  44  -6.714  -2.544  -1.987
  308    H    LEU  45           H        LEU  45  -8.571  -1.768  -1.077
  309    HA   LEU  45           HA       LEU  45  -8.834   1.232  -0.899
  310   1HB   LEU  45          1HB       LEU  45 -10.436   0.565  -2.765
  311   2HB   LEU  45          2HB       LEU  45 -11.231  -0.564  -1.690
  312    HG   LEU  45           HG       LEU  45 -11.945   1.391  -0.212
  313   1HD1  LEU  45          1HD1      LEU  45 -10.826   3.159  -2.495
  314   2HD1  LEU  45          2HD1      LEU  45 -11.850   3.725  -1.152
  315   3HD1  LEU  45          3HD1      LEU  45 -10.225   3.107  -0.820
  316   1HD2  LEU  45          2HD2      LEU  45 -13.486   0.410  -1.915
  317   2HD2  LEU  45          3HD2      LEU  45 -13.759   2.154  -1.745
  318   3HD2  LEU  45          1HD2      LEU  45 -12.868   1.529  -3.156
  319    H    SER  46           H        SER  46 -10.828  -1.546   0.113
  320    HA   SER  46           HA       SER  46 -10.133  -0.991   3.075
  321   1HB   SER  46          1HB       SER  46 -12.535  -2.530   1.878
  322   2HB   SER  46          2HB       SER  46 -12.137  -2.446   3.595
  323    HG   SER  46           HG       SER  46 -12.276  -0.170   3.447
  324    H    PHE  47           H        PHE  47  -8.137  -1.969   2.953
  325    HA   PHE  47           HA       PHE  47  -8.061  -5.015   2.618
  326   1HB   PHE  47          1HB       PHE  47  -7.297  -3.670   0.490
  327   2HB   PHE  47          2HB       PHE  47  -5.935  -3.116   1.407
  328    HD1  PHE  47           HD2      PHE  47  -4.317  -5.010   2.415
  329    HD2  PHE  47           HD1      PHE  47  -7.261  -5.793  -0.626
  330    HE1  PHE  47           HE2      PHE  47  -3.152  -7.079   1.808
  331    HE2  PHE  47           HE1      PHE  47  -6.061  -7.853  -1.234
  332    HZ   PHE  47           HZ       PHE  47  -4.010  -8.503  -0.017
  333    H    ALA  48           H        ALA  48  -7.158  -5.898   4.303
  334    HA   ALA  48           HA       ALA  48  -5.735  -4.282   6.437
  335   1HB   ALA  48          3HB       ALA  48  -7.518  -5.928   7.095
  336   2HB   ALA  48          1HB       ALA  48  -6.587  -7.268   6.380
  337   3HB   ALA  48          2HB       ALA  48  -5.951  -6.382   7.788
  338    HXT  ALA  48           HO       ALA  48  -3.381  -7.199   4.775
   
  No H/Q in entry =         338
  Start of MODEL          23
 Raw file had  348 H/Q atoms
  Start of MODEL   23
    1   1H    GLU   1          1H        GLU   1  14.177  14.212  10.617
    2   2H    GLU   1          2H        GLU   1  12.618  14.389  11.133
    3   3H    GLU   1          3H        GLU   1  13.817  15.318  11.791
    4    HA   GLU   1           HA       GLU   1  14.884  13.356  12.780
    5   1HB   GLU   1          1HB       GLU   1  11.873  13.756  13.464
    6   2HB   GLU   1          2HB       GLU   1  12.963  12.756  14.390
    7   1HG   GLU   1          1HG       GLU   1  12.905  14.719  15.627
    8   2HG   GLU   1          2HG       GLU   1  14.463  14.790  14.831
    9    HE2  GLU   1           HE2      GLU   1  13.796  17.759  13.227
   10    H    ASP   2           H        ASP   2  11.574  12.334  11.914
   11    HA   ASP   2           HA       ASP   2  12.706   9.976  10.315
   12   1HB   ASP   2          1HB       ASP   2  11.098   8.382  11.231
   13   2HB   ASP   2          2HB       ASP   2  12.151   8.975  12.480
   14    HD2  ASP   2           HD2      ASP   2   9.056   8.758  11.312
   15    H    ASN   3           H        ASN   3  11.896  10.071   8.381
   16    HA   ASN   3           HA       ASN   3   9.408  11.749   7.763
   17   1HB   ASN   3          1HB       ASN   3  11.760  10.735   6.050
   18   2HB   ASN   3          2HB       ASN   3  10.473  11.714   5.377
   19   1HD2  ASN   3          1HD2      ASN   3  13.513  13.769   7.013
   20   2HD2  ASN   3          2HD2      ASN   3  13.529  11.952   6.759
   21    H    CYS   4           H        CYS   4   9.660   8.907   8.408
   22    HA   CYS   4           HA       CYS   4   7.332   7.945   6.607
   23   1HB   CYS   4          1HB       CYS   4   8.080   5.838   6.501
   24   2HB   CYS   4          2HB       CYS   4   9.066   6.743   5.489
   25    H    ILE   5           H        ILE   5   6.379   5.933   7.444
   26    HA   ILE   5           HA       ILE   5   6.054   6.126  10.548
   27    HB   ILE   5           HB       ILE   5   3.723   5.009   8.866
   28   1HG1  ILE   5          1HG1      ILE   5   3.788   7.788  10.105
   29   2HG1  ILE   5          2HG1      ILE   5   4.313   7.594   8.459
   30   1HG2  ILE   5          2HG2      ILE   5   3.863   4.284  11.262
   31   2HG2  ILE   5          3HG2      ILE   5   3.761   5.992  11.762
   32   3HG2  ILE   5          1HG2      ILE   5   2.436   5.217  10.868
   33   1HD1  ILE   5          3HD1      ILE   5   1.575   6.647   9.366
   34   2HD1  ILE   5          1HD1      ILE   5   1.928   8.200   8.569
   35   3HD1  ILE   5          2HD1      ILE   5   2.179   6.662   7.711
   36    H    ALA   6           H        ALA   6   7.499   4.512  11.070
   37    HA   ALA   6           HA       ALA   6   7.918   2.112   9.360
   38   1HB   ALA   6          2HB       ALA   6   9.744   3.080  10.924
   39   2HB   ALA   6          3HB       ALA   6   8.775   2.634  12.356
   40   3HB   ALA   6          1HB       ALA   6   9.480   1.375  11.315
   41    H    GLU   7           H        GLU   7   5.649   2.735  11.353
   42    HA   GLU   7           HA       GLU   7   3.912   1.673  12.686
   43   1HB   GLU   7          1HB       GLU   7   2.369   1.326  10.877
   44   2HB   GLU   7          2HB       GLU   7   3.517   2.325  10.128
   45   1HG   GLU   7          1HG       GLU   7   2.827  -0.631   9.685
   46   2HG   GLU   7          2HG       GLU   7   2.820   0.643   8.518
   47    HE1  GLU   7           HE2      GLU   7   6.193   0.364   7.647
   48    H    ASP   8           H        ASP   8   2.548   0.371  13.040
   49    HA   ASP   8           HA       ASP   8   1.919  -2.158  12.172
   50   1HB   ASP   8          1HB       ASP   8   2.184  -2.738  15.089
   51   2HB   ASP   8          2HB       ASP   8   2.230  -3.811  13.728
   52    HD1  ASP   8           HD2      ASP   8   4.126  -1.711  15.579
   53    H    TYR   9           H        TYR   9   0.191  -1.367  12.156
   54    HA   TYR   9           HA       TYR   9  -1.668   0.413  12.255
   55   1HB   TYR   9          1HB       TYR   9  -1.763  -0.997  15.033
   56   2HB   TYR   9          2HB       TYR   9  -3.000   0.082  14.432
   57    HD1  TYR   9           HD1      TYR   9  -4.210  -0.448  12.217
   58    HD2  TYR   9           HD2      TYR   9  -1.650  -3.336  14.117
   59    HE1  TYR   9           HE1      TYR   9  -5.078  -2.202  10.730
   60    HE2  TYR   9           HE2      TYR   9  -2.534  -5.082  12.635
   61    HH   TYR   9           HH       TYR   9  -4.939  -4.327  10.115
   62    H    GLY  10           H        GLY  10   0.738   1.412  12.398
   63   1HA   GLY  10          1HA       GLY  10   1.349   3.527  14.321
   64   2HA   GLY  10          2HA       GLY  10   1.684   3.665  12.628
   65    H    LYS  11           H        LYS  11   1.181   5.806  13.659
   66    HA   LYS  11           HA       LYS  11  -1.736   6.624  12.979
   67   1HB   LYS  11          1HB       LYS  11  -0.939   7.628  15.049
   68   2HB   LYS  11          2HB       LYS  11   0.359   8.492  14.179
   69   1HG   LYS  11          1HG       LYS  11  -1.393   9.746  12.890
   70   2HG   LYS  11          2HG       LYS  11  -2.671   8.813  13.667
   71   1HD   LYS  11          1HD       LYS  11  -2.070   9.780  15.896
   72   2HD   LYS  11          2HD       LYS  11  -0.712  10.659  15.179
   73   1HE   LYS  11          1HE       LYS  11  -2.302  11.974  13.716
   74   2HE   LYS  11          2HE       LYS  11  -3.677  11.077  14.373
   75   1HZ   LYS  11          1HZ       LYS  11  -3.177  11.958  16.550
   76   2HZ   LYS  11          2HZ       LYS  11  -3.403  13.171  15.478
   77    H    CYS  12           H        CYS  12  -1.954   7.643  11.457
   78    HA   CYS  12           HA       CYS  12   0.074   8.791   9.456
   79   1HB   CYS  12          1HB       CYS  12  -0.680   7.538   7.488
   80   2HB   CYS  12          2HB       CYS  12  -0.410   6.324   8.701
   81    H    THR  13           H        THR  13  -1.036   9.655   7.512
   82    HA   THR  13           HA       THR  13  -3.906  10.544   7.927
   83    HB   THR  13           HB       THR  13  -3.773  12.768   8.139
   84    HG1  THR  13           HG1      THR  13  -2.270  14.111   7.078
   85   1HG2  THR  13          2HG2      THR  13  -1.976  12.308   9.948
   86   2HG2  THR  13          3HG2      THR  13  -0.704  12.496   8.708
   87   3HG2  THR  13          1HG2      THR  13  -1.711  13.883   9.167
   88    H    TRP  14           H        TRP  14  -4.813  11.131   6.096
   89    HA   TRP  14           HA       TRP  14  -3.582  10.203   3.425
   90   1HB   TRP  14          1HB       TRP  14  -6.472  11.048   4.074
   91   2HB   TRP  14          2HB       TRP  14  -5.882  10.625   2.482
   92    HD1  TRP  14           HD1      TRP  14  -4.217   7.881   4.466
   93    HE1  TRP  14           HE1      TRP  14  -5.675   5.721   4.593
   94    HE3  TRP  14           HE3      TRP  14  -8.644  10.024   2.968
   95    HZ2  TRP  14           HZ2      TRP  14  -8.428   5.147   4.069
   96    HZ3  TRP  14           HZ3      TRP  14 -10.656   8.597   2.824
   97    HH2  TRP  14           HH2      TRP  14 -10.548   6.197   3.365
   98    H    GLY  15           H        GLY  15  -2.252  11.719   2.866
   99   1HA   GLY  15          1HA       GLY  15  -1.642  13.924   1.832
  100   2HA   GLY  15          2HA       GLY  15  -2.992  14.698   2.664
  101    H    GLY  16           H        GLY  16  -0.122  12.765   3.342
  102   1HA   GLY  16          1HA       GLY  16   1.071  14.369   5.637
  103   2HA   GLY  16          2HA       GLY  16   0.049  13.057   6.136
  104    H    THR  17           H        THR  17   1.870  12.306   7.001
  105    HA   THR  17           HA       THR  17   3.933  10.873   5.299
  106    HB   THR  17           HB       THR  17   3.464   9.851   8.167
  107    HG1  THR  17           HG1      THR  17   4.872  11.526   8.844
  108   1HG2  THR  17          2HG2      THR  17   5.230   8.780   6.687
  109   2HG2  THR  17          3HG2      THR  17   6.068  10.311   6.522
  110   3HG2  THR  17          1HG2      THR  17   5.930   9.519   8.109
  111    H    LYS  18           H        LYS  18   3.880   8.901   4.763
  112    HA   LYS  18           HA       LYS  18   1.491   6.977   5.132
  113   1HB   LYS  18          1HB       LYS  18   3.346   6.570   2.790
  114   2HB   LYS  18          2HB       LYS  18   1.767   5.999   3.094
  115   1HG   LYS  18          1HG       LYS  18   1.251   7.407   1.390
  116   2HG   LYS  18          2HG       LYS  18   0.815   8.388   2.780
  117   1HD   LYS  18          1HD       LYS  18   3.099   9.595   2.537
  118   2HD   LYS  18          2HD       LYS  18   3.410   8.614   1.105
  119   1HE   LYS  18          1HE       LYS  18   1.340   9.595  -0.006
  120   2HE   LYS  18          2HE       LYS  18   1.012  10.551   1.448
  121   1HZ   LYS  18          1HZ       LYS  18   3.121  11.673   1.144
  122   2HZ   LYS  18          2HZ       LYS  18   2.167  11.850  -0.172
  123    H    CYS  19           H        CYS  19   2.445   4.828   4.648
  124    HA   CYS  19           HA       CYS  19   4.169   4.404   7.125
  125   1HB   CYS  19          1HB       CYS  19   2.762   2.404   5.290
  126   2HB   CYS  19          2HB       CYS  19   3.522   1.996   6.870
  127    H    CYS  20           H        CYS  20   6.047   3.287   7.256
  128    HA   CYS  20           HA       CYS  20   7.857   4.324   5.502
  129   1HB   CYS  20          1HB       CYS  20   8.356   3.541   7.909
  130   2HB   CYS  20          2HB       CYS  20   8.886   1.992   7.121
  131    H    ARG  21           H        ARG  21   9.600   2.858   4.608
  132    HA   ARG  21           HA       ARG  21  10.151   2.009   2.357
  133   1HB   ARG  21          1HB       ARG  21  10.132  -0.426   4.294
  134   2HB   ARG  21          2HB       ARG  21  10.955  -0.421   2.755
  135   1HG   ARG  21          1HG       ARG  21  11.680   1.386   5.125
  136   2HG   ARG  21          2HG       ARG  21  12.495  -0.090   4.674
  137   1HD   ARG  21          1HD       ARG  21  12.388   2.463   2.923
  138   2HD   ARG  21          2HD       ARG  21  13.721   1.998   3.981
  139   1HH1  ARG  21          1HH2      ARG  21  15.412   2.424   0.344
  140   2HH1  ARG  21          2HH2      ARG  21  14.471   3.000   1.810
  141   1HH2  ARG  21          1HH1      ARG  21  14.283  -0.824   0.634
  142   2HH2  ARG  21          2HH1      ARG  21  15.310   0.391  -0.280
  143    H    GLY  22           H        GLY  22   7.837   2.374   2.255
  144   1HA   GLY  22          1HA       GLY  22   6.223   2.200   0.355
  145   2HA   GLY  22          2HA       GLY  22   6.919   0.672  -0.073
  146    H    ARG  23           H        ARG  23   5.211   1.942   2.647
  147    HA   ARG  23           HA       ARG  23   3.197  -0.418   2.521
  148   1HB   ARG  23          1HB       ARG  23   4.482   1.049   4.875
  149   2HB   ARG  23          2HB       ARG  23   2.904   0.306   5.078
  150   1HG   ARG  23          1HG       ARG  23   4.663  -0.913   6.019
  151   2HG   ARG  23          2HG       ARG  23   3.633  -1.836   4.953
  152   1HD   ARG  23          1HD       ARG  23   5.379  -2.108   3.278
  153   2HD   ARG  23          2HD       ARG  23   6.356  -0.807   3.915
  154   1HH1  ARG  23          2HH2      ARG  23   7.374  -0.414   5.816
  155   2HH1  ARG  23          1HH2      ARG  23   8.492  -1.187   7.049
  156   1HH2  ARG  23          1HH1      ARG  23   7.440  -4.388   6.315
  157   2HH2  ARG  23          2HH1      ARG  23   8.525  -3.292   7.310
  158    HA   PRO  24           HA       PRO  24  -0.061   2.842   2.220
  159   1HB   PRO  24          1HB       PRO  24  -2.274   1.234   2.016
  160   2HB   PRO  24          2HB       PRO  24  -0.979   1.148   0.811
  161   1HG   PRO  24          1HG       PRO  24  -1.372  -0.670   3.249
  162   2HG   PRO  24          2HG       PRO  24  -1.163  -1.180   1.565
  163   1HD   PRO  24          1HD       PRO  24   0.961  -1.033   3.360
  164   2HD   PRO  24          2HD       PRO  24   1.173  -0.712   1.608
  165    H    CYS  25           H        CYS  25  -2.084   3.505   3.151
  166    HA   CYS  25           HA       CYS  25  -2.426   3.005   6.151
  167   1HB   CYS  25          1HB       CYS  25  -1.159   4.931   6.304
  168   2HB   CYS  25          2HB       CYS  25  -1.652   5.561   4.729
  169    H    ARG  26           H        ARG  26  -4.445   3.454   6.950
  170    HA   ARG  26           HA       ARG  26  -6.803   3.867   5.142
  171   1HB   ARG  26          1HB       ARG  26  -7.927   1.751   5.854
  172   2HB   ARG  26          2HB       ARG  26  -6.583   1.495   4.768
  173   1HG   ARG  26          1HG       ARG  26  -5.143   0.643   6.614
  174   2HG   ARG  26          2HG       ARG  26  -6.351   1.061   7.811
  175   1HD   ARG  26          1HD       ARG  26  -6.479  -1.297   7.497
  176   2HD   ARG  26          2HD       ARG  26  -7.968  -0.595   6.862
  177   1HH1  ARG  26          2HH2      ARG  26  -7.804  -3.038   6.898
  178   2HH1  ARG  26          1HH2      ARG  26  -7.827  -4.373   5.640
  179   1HH2  ARG  26          1HH1      ARG  26  -6.259  -2.452   3.251
  180   2HH2  ARG  26          2HH1      ARG  26  -7.011  -4.061   3.714
  181    H    CYS  27           H        CYS  27  -8.200   5.056   6.373
  182    HA   CYS  27           HA       CYS  27  -7.227   5.871   8.932
  183   1HB   CYS  27          1HB       CYS  27 -10.000   6.540   7.781
  184   2HB   CYS  27          2HB       CYS  27  -9.215   7.407   9.056
  185    H    SER  28           H        SER  28  -8.700   6.180  10.847
  186    HA   SER  28           HA       SER  28  -9.355   3.636  12.153
  187   1HB   SER  28          1HB       SER  28  -8.520   6.039  13.085
  188   2HB   SER  28          2HB       SER  28 -10.249   6.400  13.197
  189    HG   SER  28           HG       SER  28  -8.890   4.179  14.314
  190    H    MET  29           H        MET  29 -11.337   4.073  13.668
  191    HA   MET  29           HA       MET  29 -13.532   2.641  12.230
  192   1HB   MET  29          1HB       MET  29 -14.512   2.397  14.472
  193   2HB   MET  29          2HB       MET  29 -12.781   2.119  14.521
  194   1HG   MET  29          1HG       MET  29 -12.473   4.429  15.582
  195   2HG   MET  29          2HG       MET  29 -14.244   4.504  15.721
  196   1HE   MET  29          2HE       MET  29 -13.892   4.804  18.385
  197   2HE   MET  29          1HE       MET  29 -12.996   3.624  19.388
  198   3HE   MET  29          3HE       MET  29 -12.120   4.623  18.191
  199    H    ILE  30           H        ILE  30 -13.353   5.698  13.737
  200    HA   ILE  30           HA       ILE  30 -16.129   6.687  12.899
  201    HB   ILE  30           HB       ILE  30 -13.718   8.224  14.133
  202   1HG1  ILE  30          1HG1      ILE  30 -16.476   7.601  15.427
  203   2HG1  ILE  30          2HG1      ILE  30 -15.140   6.493  15.576
  204   1HG2  ILE  30          3HG2      ILE  30 -16.599   9.264  13.551
  205   2HG2  ILE  30          1HG2      ILE  30 -15.365  10.145  14.485
  206   3HG2  ILE  30          2HG2      ILE  30 -15.107   9.839  12.772
  207   1HD1  ILE  30          3HD1      ILE  30 -13.710   8.226  16.696
  208   2HD1  ILE  30          1HD1      ILE  30 -15.075   9.374  16.638
  209   3HD1  ILE  30          2HD1      ILE  30 -15.214   7.873  17.580
  210    H    GLY  31           H        GLY  31 -12.796   7.569  12.019
  211   1HA   GLY  31          1HA       GLY  31 -12.713   7.666   9.227
  212   2HA   GLY  31          2HA       GLY  31 -13.784   9.033   9.517
  213    H    THR  32           H        THR  32 -12.568  10.084  11.800
  214    HA   THR  32           HA       THR  32 -10.083  11.420  10.613
  215    HB   THR  32           HB       THR  32 -10.185  12.929  12.623
  216    HG1  THR  32           HG1      THR  32 -11.327  11.486  13.987
  217   1HG2  THR  32          2HG2      THR  32 -11.398  13.626  10.505
  218   2HG2  THR  32          3HG2      THR  32 -12.886  12.831  11.083
  219   3HG2  THR  32          1HG2      THR  32 -12.226  14.232  11.957
  220    H    ASN  33           H        ASN  33  -8.208  11.551  11.784
  221    HA   ASN  33           HA       ASN  33  -6.336  10.887  13.068
  222   1HB   ASN  33          1HB       ASN  33  -8.224  10.658  15.046
  223   2HB   ASN  33          2HB       ASN  33  -8.058   8.962  14.808
  224   1HD2  ASN  33          1HD2      ASN  33  -4.793   8.868  16.419
  225   2HD2  ASN  33          2HD2      ASN  33  -5.976   7.974  15.339
  226    H    CYS  34           H        CYS  34  -6.459   9.927  10.762
  227    HA   CYS  34           HA       CYS  34  -7.071   7.238  10.239
  228   1HB   CYS  34          1HB       CYS  34  -4.822   8.729   8.820
  229   2HB   CYS  34          2HB       CYS  34  -5.606   7.302   8.205
  230    H    GLU  35           H        GLU  35  -5.706   5.313   9.830
  231    HA   GLU  35           HA       GLU  35  -3.100   5.214  11.483
  232   1HB   GLU  35          1HB       GLU  35  -4.854   2.727  11.360
  233   2HB   GLU  35          2HB       GLU  35  -3.495   3.009  12.335
  234   1HG   GLU  35          1HG       GLU  35  -4.490   4.533  13.850
  235   2HG   GLU  35          2HG       GLU  35  -5.990   4.642  12.920
  236    HE2  GLU  35           HE2      GLU  35  -7.424   1.877  14.319
  237    H    CYS  36           H        CYS  36  -2.101   3.141  11.039
  238    HA   CYS  36           HA       CYS  36  -1.533   2.864   8.024
  239   1HB   CYS  36          1HB       CYS  36   0.402   3.500   9.597
  240   2HB   CYS  36          2HB       CYS  36   0.251   1.891  10.357
  241    H    THR  37           H        THR  37  -1.156   0.682   7.248
  242    HA   THR  37           HA       THR  37  -2.155  -1.639   8.986
  243    HB   THR  37           HB       THR  37  -3.955  -1.373   7.542
  244    HG1  THR  37           HG1      THR  37  -3.886  -3.353   6.484
  245   1HG2  THR  37          2HG2      THR  37  -2.889  -0.132   5.506
  246   2HG2  THR  37          3HG2      THR  37  -2.062  -1.656   5.073
  247   3HG2  THR  37          1HG2      THR  37  -3.830  -1.551   5.000
  248    HA   PRO  38           HA       PRO  38   2.155  -2.568   7.840
  249   1HB   PRO  38          1HB       PRO  38   2.561  -4.830   9.362
  250   2HB   PRO  38          2HB       PRO  38   2.288  -3.229  10.061
  251   1HG   PRO  38          1HG       PRO  38   0.255  -5.485   9.724
  252   2HG   PRO  38          2HG       PRO  38   0.533  -4.464  11.155
  253   1HD   PRO  38          1HD       PRO  38  -1.508  -3.960   9.267
  254   2HD   PRO  38          2HD       PRO  38  -0.767  -2.671  10.235
  255    H    ARG  39           H        ARG  39   2.283  -2.938   5.732
  256    HA   ARG  39           HA       ARG  39   1.483  -5.643   4.515
  257   1HB   ARG  39          1HB       ARG  39   0.616  -3.492   3.493
  258   2HB   ARG  39          2HB       ARG  39   2.271  -2.975   3.193
  259   1HG   ARG  39          1HG       ARG  39   2.558  -5.087   1.714
  260   2HG   ARG  39          2HG       ARG  39   0.834  -5.398   1.922
  261   1HD   ARG  39          1HD       ARG  39   0.268  -3.210   0.854
  262   2HD   ARG  39          2HD       ARG  39   1.947  -2.714   0.833
  263   1HH1  ARG  39          2HH2      ARG  39   3.736  -3.314   0.044
  264   2HH1  ARG  39          1HH2      ARG  39   4.532  -3.826  -1.527
  265   1HH2  ARG  39          1HH1      ARG  39   1.643  -5.194  -2.808
  266   2HH2  ARG  39          2HH1      ARG  39   3.424  -4.815  -3.028
  267    H    LEU  40           H        LEU  40   3.189  -6.792   5.421
  268    HA   LEU  40           HA       LEU  40   5.869  -6.492   3.920
  269   1HB   LEU  40          1HB       LEU  40   6.975  -7.710   5.752
  270   2HB   LEU  40          2HB       LEU  40   6.533  -6.086   6.149
  271    HG   LEU  40           HG       LEU  40   4.659  -8.311   7.090
  272   1HD1  LEU  40          1HD1      LEU  40   6.909  -9.178   7.699
  273   2HD1  LEU  40          2HD1      LEU  40   7.320  -7.638   8.496
  274   3HD1  LEU  40          3HD1      LEU  40   6.022  -8.671   9.149
  275   1HD2  LEU  40          3HD2      LEU  40   4.017  -5.903   7.551
  276   2HD2  LEU  40          1HD2      LEU  40   4.291  -6.814   9.040
  277   3HD2  LEU  40          2HD2      LEU  40   5.528  -5.674   8.453
  278    H    ILE  41           H        ILE  41   4.852  -7.563   2.311
  279    HA   ILE  41           HA       ILE  41   3.424  -9.026   1.113
  280    HB   ILE  41           HB       ILE  41   4.225 -11.504   1.074
  281   1HG1  ILE  41          1HG1      ILE  41   6.512 -10.629   2.959
  282   2HG1  ILE  41          2HG1      ILE  41   5.126 -11.555   3.506
  283   1HG2  ILE  41          3HG2      ILE  41   5.166  -9.649  -0.425
  284   2HG2  ILE  41          1HG2      ILE  41   6.450  -9.335   0.768
  285   3HG2  ILE  41          2HG2      ILE  41   6.373 -10.893  -0.086
  286   1HD1  ILE  41          1HD1      ILE  41   5.668 -13.422   1.910
  287   2HD1  ILE  41          2HD1      ILE  41   7.126 -12.536   1.388
  288   3HD1  ILE  41          3HD1      ILE  41   6.974 -13.086   3.070
  289    H    MET  42           H        MET  42   1.792  -8.294   2.603
  290    HA   MET  42           HA       MET  42   0.358 -10.655   3.977
  291   1HB   MET  42          1HB       MET  42   0.486  -7.743   5.022
  292   2HB   MET  42          2HB       MET  42  -0.666  -8.950   5.568
  293   1HG   MET  42          1HG       MET  42   1.264 -10.454   6.303
  294   2HG   MET  42          2HG       MET  42   2.382  -9.128   5.915
  295   1HE   MET  42          2HE       MET  42   1.890 -10.587   8.837
  296   2HE   MET  42          1HE       MET  42   3.156  -9.351   8.572
  297   3HE   MET  42          3HE       MET  42   1.998  -9.169   9.920
  298    H    GLU  43           H        GLU  43  -0.679 -11.004   2.073
  299    HA   GLU  43           HA       GLU  43  -3.125  -9.441   1.463
  300   1HB   GLU  43          1HB       GLU  43  -2.589  -8.815  -0.880
  301   2HB   GLU  43          2HB       GLU  43  -1.573  -7.966   0.255
  302   1HG   GLU  43          1HG       GLU  43   0.371  -9.523  -0.316
  303   2HG   GLU  43          2HG       GLU  43  -0.660 -10.358  -1.476
  304    HE1  GLU  43           HE2      GLU  43   0.789  -6.644  -2.224
  305    H    GLY  44           H        GLY  44  -4.512 -10.565   0.149
  306   1HA   GLY  44          1HA       GLY  44  -4.131 -13.502  -0.309
  307   2HA   GLY  44          2HA       GLY  44  -5.540 -12.562  -0.757
  308    H    LEU  45           H        LEU  45  -5.352 -11.169  -2.685
  309    HA   LEU  45           HA       LEU  45  -3.075 -11.735  -4.606
  310   1HB   LEU  45          1HB       LEU  45  -4.879 -13.479  -5.093
  311   2HB   LEU  45          2HB       LEU  45  -6.035 -12.195  -5.377
  312    HG   LEU  45           HG       LEU  45  -4.592 -11.386  -7.333
  313   1HD1  LEU  45          1HD1      LEU  45  -2.997 -13.996  -6.849
  314   2HD1  LEU  45          2HD1      LEU  45  -2.870 -12.957  -8.291
  315   3HD1  LEU  45          3HD1      LEU  45  -2.362 -12.337  -6.713
  316   1HD2  LEU  45          1HD2      LEU  45  -6.590 -12.835  -7.700
  317   2HD2  LEU  45          2HD2      LEU  45  -5.321 -13.199  -8.884
  318   3HD2  LEU  45          3HD2      LEU  45  -5.595 -14.301  -7.511
  319    H    SER  46           H        SER  46  -2.410  -9.816  -5.042
  320    HA   SER  46           HA       SER  46  -2.184  -7.602  -5.838
  321   1HB   SER  46          1HB       SER  46  -5.177  -7.828  -6.687
  322   2HB   SER  46          2HB       SER  46  -4.042  -6.581  -7.192
  323    HG   SER  46           HG       SER  46  -4.229  -8.274  -8.677
  324    H    PHE  47           H        PHE  47  -1.854  -6.213  -4.304
  325    HA   PHE  47           HA       PHE  47  -4.102  -4.677  -3.012
  326   1HB   PHE  47          1HB       PHE  47  -3.785  -6.580  -1.407
  327   2HB   PHE  47          2HB       PHE  47  -2.063  -6.300  -1.354
  328    HD1  PHE  47           HD2      PHE  47  -5.195  -4.153  -0.825
  329    HD2  PHE  47           HD1      PHE  47  -1.345  -5.354   0.682
  330    HE1  PHE  47           HE2      PHE  47  -5.456  -2.633   1.090
  331    HE2  PHE  47           HE1      PHE  47  -1.638  -3.843   2.600
  332    HZ   PHE  47           HZ       PHE  47  -3.680  -2.469   2.799
  333    H    ALA  48           H        ALA  48  -3.541  -2.644  -2.968
  334    HA   ALA  48           HA       ALA  48  -0.629  -1.715  -3.249
  335   1HB   ALA  48          1HB       ALA  48  -3.265  -0.109  -3.543
  336   2HB   ALA  48          2HB       ALA  48  -1.616   0.529  -3.751
  337   3HB   ALA  48          3HB       ALA  48  -2.234  -0.696  -4.874
  338    HXT  ALA  48           HO       ALA  48  -0.343  -0.814   0.007
   
  No H/Q in entry =         338
  Start of MODEL          24
 Raw file had  348 H/Q atoms
  Start of MODEL   24
    1   1H    GLU   1          1H        GLU   1  11.443  14.502   4.754
    2   2H    GLU   1          2H        GLU   1  12.654  15.581   5.071
    3   3H    GLU   1          3H        GLU   1  11.942  15.553   3.581
    4    HA   GLU   1           HA       GLU   1  12.801  13.332   3.116
    5   1HB   GLU   1          1HB       GLU   1  14.933  15.395   4.026
    6   2HB   GLU   1          2HB       GLU   1  15.320  13.948   3.124
    7   1HG   GLU   1          1HG       GLU   1  13.513  16.219   2.077
    8   2HG   GLU   1          2HG       GLU   1  15.216  16.018   1.722
    9    HE2  GLU   1           HE2      GLU   1  12.431  13.913  -0.245
   10    H    ASP   2           H        ASP   2  13.017  11.509   4.116
   11    HA   ASP   2           HA       ASP   2  13.403   9.760   5.669
   12   1HB   ASP   2          1HB       ASP   2  15.822  10.626   5.301
   13   2HB   ASP   2          2HB       ASP   2  15.682  11.597   6.753
   14    HD2  ASP   2           HD2      ASP   2  15.756  10.667   8.607
   15    H    ASN   3           H        ASN   3  11.464   9.886   6.715
   16    HA   ASN   3           HA       ASN   3  11.379   9.992   9.449
   17   1HB   ASN   3          1HB       ASN   3   9.863  11.764  10.059
   18   2HB   ASN   3          2HB       ASN   3  11.474  12.355   9.787
   19   1HD2  ASN   3          1HD2      ASN   3  10.466  14.671   7.167
   20   2HD2  ASN   3          2HD2      ASN   3  11.865  13.705   7.857
   21    H    CYS   4           H        CYS   4  10.507   8.375   8.726
   22    HA   CYS   4           HA       CYS   4   7.838   8.119   7.200
   23   1HB   CYS   4          1HB       CYS   4   8.388   5.906   6.998
   24   2HB   CYS   4          2HB       CYS   4   9.543   6.825   6.160
   25    H    ILE   5           H        ILE   5   6.627   6.013   7.741
   26    HA   ILE   5           HA       ILE   5   5.988   6.002  10.808
   27    HB   ILE   5           HB       ILE   5   3.851   5.218   8.715
   28   1HG1  ILE   5          1HG1      ILE   5   4.055   7.737  10.367
   29   2HG1  ILE   5          2HG1      ILE   5   4.452   7.652   8.662
   30   1HG2  ILE   5          2HG2      ILE   5   3.655   4.015  10.965
   31   2HG2  ILE   5          3HG2      ILE   5   3.519   5.605  11.762
   32   3HG2  ILE   5          1HG2      ILE   5   2.315   5.051  10.594
   33   1HD1  ILE   5          2HD1      ILE   5   1.725   7.015   9.802
   34   2HD1  ILE   5          3HD1      ILE   5   2.183   8.522   8.999
   35   3HD1  ILE   5          1HD1      ILE   5   2.171   6.993   8.072
   36    H    ALA   6           H        ALA   6   7.388   4.358  11.291
   37    HA   ALA   6           HA       ALA   6   7.791   2.050   9.368
   38   1HB   ALA   6          2HB       ALA   6   9.744   3.045  10.707
   39   2HB   ALA   6          3HB       ALA   6   8.973   2.539  12.236
   40   3HB   ALA   6          1HB       ALA   6   9.559   1.322  11.077
   41    H    GLU   7           H        GLU   7   5.404   2.564  11.159
   42    HA   GLU   7           HA       GLU   7   4.878  -0.229  12.290
   43   1HB   GLU   7          1HB       GLU   7   3.937   2.571  13.207
   44   2HB   GLU   7          2HB       GLU   7   3.325   1.099  13.926
   45   1HG   GLU   7          1HG       GLU   7   5.626   0.452  14.712
   46   2HG   GLU   7          2HG       GLU   7   6.293   1.926  14.018
   47    HE1  GLU   7           HE2      GLU   7   5.068   4.073  16.440
   48    H    ASP   8           H        ASP   8   3.299  -1.339  12.221
   49    HA   ASP   8           HA       ASP   8   0.988  -0.839  10.312
   50   1HB   ASP   8          1HB       ASP   8   1.257  -3.146  12.254
   51   2HB   ASP   8          2HB       ASP   8   0.111  -2.972  10.952
   52    HD2  ASP   8           HD2      ASP   8   2.313  -4.778  11.595
   53    H    TYR   9           H        TYR   9  -0.735  -0.231  11.079
   54    HA   TYR   9           HA       TYR   9  -2.316   1.209  12.286
   55   1HB   TYR   9          1HB       TYR   9  -1.542  -0.538  14.744
   56   2HB   TYR   9          2HB       TYR   9  -3.018   0.362  14.521
   57    HD1  TYR   9           HD2      TYR   9  -4.499  -0.291  12.333
   58    HD2  TYR   9           HD1      TYR   9  -1.466  -2.849  14.002
   59    HE1  TYR   9           HE2      TYR   9  -5.268  -2.153  10.919
   60    HE2  TYR   9           HE1      TYR   9  -2.249  -4.693  12.585
   61    HH   TYR   9           HH       TYR   9  -4.956  -4.255  10.313
   62    H    GLY  10           H        GLY  10   0.514   2.059  12.128
   63   1HA   GLY  10          1HA       GLY  10   0.998   3.941  14.452
   64   2HA   GLY  10          2HA       GLY  10   1.910   3.950  13.032
   65    H    LYS  11           H        LYS  11   0.840   5.998  14.149
   66    HA   LYS  11           HA       LYS  11  -1.760   6.867  12.857
   67   1HB   LYS  11          1HB       LYS  11   0.105   8.899  14.141
   68   2HB   LYS  11          2HB       LYS  11  -1.590   9.061  13.830
   69   1HG   LYS  11          1HG       LYS  11  -2.140   7.252  15.506
   70   2HG   LYS  11          2HG       LYS  11  -0.432   7.140  15.937
   71   1HD   LYS  11          1HD       LYS  11  -0.428   9.568  16.614
   72   2HD   LYS  11          2HD       LYS  11  -2.128   9.718  16.198
   73   1HE   LYS  11          1HE       LYS  11  -1.015   7.803  18.370
   74   2HE   LYS  11          2HE       LYS  11  -1.632   9.423  18.684
   75   1HZ   LYS  11          1HZ       LYS  11  -3.212   7.185  17.554
   76   2HZ   LYS  11          2HZ       LYS  11  -3.286   7.734  19.092
   77    H    CYS  12           H        CYS  12  -1.962   7.756  11.203
   78    HA   CYS  12           HA       CYS  12   0.147   9.063   9.386
   79   1HB   CYS  12          1HB       CYS  12  -0.547   7.637   7.411
   80   2HB   CYS  12          2HB       CYS  12   0.018   6.602   8.693
   81    H    THR  13           H        THR  13  -0.897   9.752   7.316
   82    HA   THR  13           HA       THR  13  -3.865  10.342   7.407
   83    HB   THR  13           HB       THR  13  -3.982  12.597   7.514
   84    HG1  THR  13           HG1      THR  13  -1.420  12.867   6.326
   85   1HG2  THR  13          2HG2      THR  13  -2.460  12.342   9.592
   86   2HG2  THR  13          3HG2      THR  13  -1.031  12.622   8.556
   87   3HG2  THR  13          1HG2      THR  13  -2.215  13.917   8.802
   88    H    TRP  14           H        TRP  14  -4.654  10.826   5.465
   89    HA   TRP  14           HA       TRP  14  -3.054  10.063   2.945
   90   1HB   TRP  14          1HB       TRP  14  -6.078  10.573   3.354
   91   2HB   TRP  14          2HB       TRP  14  -5.344  10.456   1.768
   92    HD1  TRP  14           HD1      TRP  14  -6.158   8.227   4.850
   93    HE1  TRP  14           HE1      TRP  14  -5.806   5.661   4.338
   94    HE3  TRP  14           HE3      TRP  14  -4.038   8.858   0.256
   95    HZ2  TRP  14           HZ2      TRP  14  -4.653   4.255   2.120
   96    HZ3  TRP  14           HZ3      TRP  14  -3.314   6.861  -1.012
   97    HH2  TRP  14           HH2      TRP  14  -3.620   4.597  -0.092
   98    H    GLY  15           H        GLY  15  -1.776  11.639   2.579
   99   1HA   GLY  15          1HA       GLY  15  -1.183  13.892   1.606
  100   2HA   GLY  15          2HA       GLY  15  -2.617  14.593   2.361
  101    H    GLY  16           H        GLY  16   0.182  12.640   3.254
  102   1HA   GLY  16          1HA       GLY  16   1.183  14.219   5.672
  103   2HA   GLY  16          2HA       GLY  16   0.147  12.877   6.037
  104    H    THR  17           H        THR  17   1.994  12.178   7.034
  105    HA   THR  17           HA       THR  17   4.082  10.715   5.360
  106    HB   THR  17           HB       THR  17   3.694   9.819   8.280
  107    HG1  THR  17           HG1      THR  17   5.074  11.552   8.856
  108   1HG2  THR  17          2HG2      THR  17   5.446   8.706   6.840
  109   2HG2  THR  17          3HG2      THR  17   6.227  10.257   6.537
  110   3HG2  THR  17          1HG2      THR  17   6.164   9.578   8.181
  111    H    LYS  18           H        LYS  18   4.035   8.665   4.944
  112    HA   LYS  18           HA       LYS  18   1.686   6.770   5.610
  113   1HB   LYS  18          1HB       LYS  18   3.249   6.309   3.082
  114   2HB   LYS  18          2HB       LYS  18   1.717   5.714   3.559
  115   1HG   LYS  18          1HG       LYS  18   2.216   8.537   2.488
  116   2HG   LYS  18          2HG       LYS  18   1.438   7.205   1.664
  117   1HD   LYS  18          1HD       LYS  18   0.346   8.830   4.024
  118   2HD   LYS  18          2HD       LYS  18  -0.252   8.817   2.386
  119   1HE   LYS  18          1HE       LYS  18  -0.505   6.530   4.448
  120   2HE   LYS  18          2HE       LYS  18  -1.785   7.610   3.905
  121   1HZ   LYS  18          1HZ       LYS  18  -1.878   5.470   2.824
  122   2HZ   LYS  18          2HZ       LYS  18  -0.370   5.628   2.213
  123    H    CYS  19           H        CYS  19   2.592   4.612   5.053
  124    HA   CYS  19           HA       CYS  19   4.635   4.329   7.237
  125   1HB   CYS  19          1HB       CYS  19   2.742   2.318   6.017
  126   2HB   CYS  19          2HB       CYS  19   4.199   1.669   6.789
  127    H    CYS  20           H        CYS  20   6.371   3.489   7.203
  128    HA   CYS  20           HA       CYS  20   8.177   4.591   5.738
  129   1HB   CYS  20          1HB       CYS  20   8.414   3.460   7.998
  130   2HB   CYS  20          2HB       CYS  20   8.929   1.964   7.219
  131    H    ARG  21           H        ARG  21   7.478   1.144   5.362
  132    HA   ARG  21           HA       ARG  21   9.499   0.738   3.091
  133   1HB   ARG  21          1HB       ARG  21   7.847  -1.309   4.773
  134   2HB   ARG  21          2HB       ARG  21   8.940  -1.780   3.486
  135   1HG   ARG  21          1HG       ARG  21  10.908  -0.850   4.688
  136   2HG   ARG  21          2HG       ARG  21   9.876  -0.316   6.019
  137   1HD   ARG  21          1HD       ARG  21   9.167  -2.712   6.453
  138   2HD   ARG  21          2HD       ARG  21  10.205  -3.260   5.124
  139   1HH1  ARG  21          2HH2      ARG  21  10.318  -4.808   7.045
  140   2HH1  ARG  21          1HH2      ARG  21  11.589  -5.338   8.258
  141   1HH2  ARG  21          1HH1      ARG  21  13.191  -2.282   8.233
  142   2HH2  ARG  21          2HH1      ARG  21  13.114  -3.994   8.887
  143    H    GLY  22           H        GLY  22   7.152   2.053   2.816
  144   1HA   GLY  22          1HA       GLY  22   5.674   2.590   0.851
  145   2HA   GLY  22          2HA       GLY  22   6.260   1.150   0.065
  146    H    ARG  23           H        ARG  23   4.580   1.879   2.948
  147    HA   ARG  23           HA       ARG  23   2.516  -0.337   2.477
  148   1HB   ARG  23          1HB       ARG  23   3.870   0.786   4.941
  149   2HB   ARG  23          2HB       ARG  23   2.384  -0.118   5.140
  150   1HG   ARG  23          1HG       ARG  23   5.049  -1.096   3.954
  151   2HG   ARG  23          2HG       ARG  23   4.452  -1.388   5.583
  152   1HD   ARG  23          1HD       ARG  23   2.477  -2.691   4.643
  153   2HD   ARG  23          2HD       ARG  23   3.087  -2.450   3.008
  154   1HH1  ARG  23          2HH2      ARG  23   5.054  -2.845   2.037
  155   2HH1  ARG  23          1HH2      ARG  23   6.282  -4.186   1.790
  156   1HH2  ARG  23          1HH1      ARG  23   5.485  -5.749   4.760
  157   2HH2  ARG  23          2HH1      ARG  23   6.510  -5.727   3.237
  158    HA   PRO  24           HA       PRO  24  -0.480   3.172   2.474
  159   1HB   PRO  24          1HB       PRO  24  -2.773   1.779   1.829
  160   2HB   PRO  24          2HB       PRO  24  -1.433   1.935   0.689
  161   1HG   PRO  24          1HG       PRO  24  -2.005  -0.425   2.570
  162   2HG   PRO  24          2HG       PRO  24  -1.731  -0.489   0.812
  163   1HD   PRO  24          1HD       PRO  24   0.310  -0.933   2.620
  164   2HD   PRO  24          2HD       PRO  24   0.624  -0.101   1.061
  165    H    CYS  25           H        CYS  25  -2.810   3.442   3.357
  166    HA   CYS  25           HA       CYS  25  -2.839   2.653   6.324
  167   1HB   CYS  25          1HB       CYS  25  -2.724   5.368   5.058
  168   2HB   CYS  25          2HB       CYS  25  -4.019   5.196   6.278
  169    H    ARG  26           H        ARG  26  -4.723   2.517   7.281
  170    HA   ARG  26           HA       ARG  26  -7.324   2.545   5.740
  171   1HB   ARG  26          1HB       ARG  26  -6.504   0.075   6.160
  172   2HB   ARG  26          2HB       ARG  26  -6.722   0.385   7.865
  173   1HG   ARG  26          1HG       ARG  26  -8.712  -0.695   7.200
  174   2HG   ARG  26          2HG       ARG  26  -9.204   0.991   7.332
  175   1HD   ARG  26          1HD       ARG  26  -8.934   1.224   4.786
  176   2HD   ARG  26          2HD       ARG  26  -8.452  -0.481   4.708
  177   1HH1  ARG  26          2HH2      ARG  26  -9.725   0.398   2.819
  178   2HH1  ARG  26          1HH2      ARG  26 -11.344   0.010   2.048
  179   1HH2  ARG  26          1HH1      ARG  26 -12.815  -0.856   5.040
  180   2HH2  ARG  26          2HH1      ARG  26 -12.974  -0.651   3.223
  181    H    CYS  27           H        CYS  27  -8.431   4.127   6.762
  182    HA   CYS  27           HA       CYS  27  -7.171   5.426   8.981
  183   1HB   CYS  27          1HB       CYS  27  -9.990   6.038   7.892
  184   2HB   CYS  27          2HB       CYS  27  -9.028   7.112   8.856
  185    H    SER  28           H        SER  28  -8.381   6.261  10.887
  186    HA   SER  28           HA       SER  28  -9.206   4.095  12.746
  187   1HB   SER  28          1HB       SER  28  -7.767   6.323  13.089
  188   2HB   SER  28          2HB       SER  28  -9.342   7.132  13.247
  189    HG   SER  28           HG       SER  28  -8.464   6.427  15.197
  190    H    MET  29           H        MET  29 -10.842   5.320  14.316
  191    HA   MET  29           HA       MET  29 -13.377   3.976  13.546
  192   1HB   MET  29          1HB       MET  29 -14.087   4.530  15.824
  193   2HB   MET  29          2HB       MET  29 -12.408   4.017  15.821
  194   1HG   MET  29          1HG       MET  29 -11.703   6.458  16.135
  195   2HG   MET  29          2HG       MET  29 -13.428   6.834  16.353
  196   1HE   MET  29          2HE       MET  29 -13.013   7.803  18.779
  197   2HE   MET  29          1HE       MET  29 -12.136   6.915  20.060
  198   3HE   MET  29          3HE       MET  29 -11.261   7.472  18.603
  199    H    ILE  30           H        ILE  30 -12.595   7.249  14.005
  200    HA   ILE  30           HA       ILE  30 -15.344   8.399  13.260
  201    HB   ILE  30           HB       ILE  30 -12.610   9.834  13.673
  202   1HG1  ILE  30          1HG1      ILE  30 -15.193   9.998  15.399
  203   2HG1  ILE  30          2HG1      ILE  30 -13.935   8.838  15.732
  204   1HG2  ILE  30          3HG2      ILE  30 -15.410  11.097  13.138
  205   2HG2  ILE  30          1HG2      ILE  30 -13.952  12.008  13.605
  206   3HG2  ILE  30          2HG2      ILE  30 -14.004  11.185  12.051
  207   1HD1  ILE  30          1HD1      ILE  30 -12.236  10.664  16.080
  208   2HD1  ILE  30          2HD1      ILE  30 -13.524  11.878  15.852
  209   3HD1  ILE  30          3HD1      ILE  30 -13.609  10.735  17.209
  210    H    GLY  31           H        GLY  31 -12.123   8.550  11.768
  211   1HA   GLY  31          1HA       GLY  31 -12.411   7.822   9.081
  212   2HA   GLY  31          2HA       GLY  31 -13.364   9.299   9.067
  213    H    THR  32           H        THR  32 -11.868  10.883  10.745
  214    HA   THR  32           HA       THR  32  -9.405  11.538   9.030
  215    HB   THR  32           HB       THR  32  -9.252  13.656  10.361
  216    HG1  THR  32           HG1      THR  32 -11.801  12.815  11.338
  217   1HG2  THR  32          2HG2      THR  32 -10.519  13.675   8.161
  218   2HG2  THR  32          3HG2      THR  32 -12.036  13.298   9.018
  219   3HG2  THR  32          1HG2      THR  32 -11.205  14.843   9.312
  220    H    ASN  33           H        ASN  33  -7.467  11.835   9.998
  221    HA   ASN  33           HA       ASN  33  -5.541  11.319  11.297
  222   1HB   ASN  33          1HB       ASN  33  -7.496  10.779  13.666
  223   2HB   ASN  33          2HB       ASN  33  -5.774  10.637  13.757
  224   1HD2  ASN  33          1HD2      ASN  33  -5.249  14.199  14.045
  225   2HD2  ASN  33          2HD2      ASN  33  -4.483  12.560  13.737
  226    H    CYS  34           H        CYS  34  -5.907   9.769   9.582
  227    HA   CYS  34           HA       CYS  34  -6.878   7.081   9.921
  228   1HB   CYS  34          1HB       CYS  34  -4.606   7.985   8.069
  229   2HB   CYS  34          2HB       CYS  34  -5.511   6.504   7.878
  230    H    GLU  35           H        GLU  35  -5.539   5.041   9.758
  231    HA   GLU  35           HA       GLU  35  -2.813   5.228  11.187
  232   1HB   GLU  35          1HB       GLU  35  -4.346   2.701  11.825
  233   2HB   GLU  35          2HB       GLU  35  -3.089   3.505  12.671
  234   1HG   GLU  35          1HG       GLU  35  -4.601   5.265  13.571
  235   2HG   GLU  35          2HG       GLU  35  -5.979   4.532  12.751
  236    HE2  GLU  35           HE2      GLU  35  -6.427   1.978  15.004
  237    H    CYS  36           H        CYS  36  -1.771   3.026  11.021
  238    HA   CYS  36           HA       CYS  36  -1.397   2.571   8.012
  239   1HB   CYS  36          1HB       CYS  36   0.442   2.198  10.485
  240   2HB   CYS  36          2HB       CYS  36   0.829   1.253   9.150
  241    H    THR  37           H        THR  37  -0.963   0.426   7.191
  242    HA   THR  37           HA       THR  37  -2.139  -1.905   8.754
  243    HB   THR  37           HB       THR  37  -4.068  -1.036   7.654
  244    HG1  THR  37           HG1      THR  37  -4.596  -2.783   6.306
  245   1HG2  THR  37          3HG2      THR  37  -2.608  -1.278   4.890
  246   2HG2  THR  37          1HG2      THR  37  -4.331  -0.884   5.113
  247   3HG2  THR  37          2HG2      THR  37  -3.096   0.257   5.656
  248    HA   PRO  38           HA       PRO  38   1.332  -4.007   6.717
  249   1HB   PRO  38          1HB       PRO  38   0.606  -6.676   7.266
  250   2HB   PRO  38          2HB       PRO  38   1.228  -5.551   8.469
  251   1HG   PRO  38          1HG       PRO  38  -1.665  -6.332   7.924
  252   2HG   PRO  38          2HG       PRO  38  -0.850  -6.165   9.500
  253   1HD   PRO  38          1HD       PRO  38  -2.458  -4.163   8.433
  254   2HD   PRO  38          2HD       PRO  38  -1.130  -3.759   9.460
  255    H    ARG  39           H        ARG  39   1.925  -5.322   5.028
  256    HA   ARG  39           HA       ARG  39   1.935  -6.215   2.847
  257   1HB   ARG  39          1HB       ARG  39  -0.322  -7.414   3.755
  258   2HB   ARG  39          2HB       ARG  39  -1.170  -6.305   2.709
  259   1HG   ARG  39          1HG       ARG  39   1.012  -8.320   1.836
  260   2HG   ARG  39          2HG       ARG  39  -0.716  -8.633   1.841
  261   1HD   ARG  39          1HD       ARG  39  -1.041  -6.719   0.155
  262   2HD   ARG  39          2HD       ARG  39   0.724  -6.569   0.067
  263   1HH1  ARG  39          2HH2      ARG  39   0.066  -6.190  -2.033
  264   2HH1  ARG  39          1HH2      ARG  39   0.139  -7.006  -3.675
  265   1HH2  ARG  39          1HH1      ARG  39   0.002 -10.181  -2.354
  266   2HH2  ARG  39          2HH1      ARG  39   0.105  -9.112  -3.842
  267    H    LEU  40           H        LEU  40   2.336  -5.018   1.131
  268    HA   LEU  40           HA       LEU  40   1.466  -2.198   0.837
  269   1HB   LEU  40          1HB       LEU  40   2.940  -2.232  -1.155
  270   2HB   LEU  40          2HB       LEU  40   3.687  -2.945   0.228
  271    HG   LEU  40           HG       LEU  40   3.100  -5.298  -0.845
  272   1HD1  LEU  40          1HD1      LEU  40   2.821  -3.522  -3.367
  273   2HD1  LEU  40          2HD1      LEU  40   3.006  -5.295  -3.365
  274   3HD1  LEU  40          3HD1      LEU  40   1.557  -4.562  -2.673
  275   1HD2  LEU  40          1HD2      LEU  40   5.413  -4.390  -0.637
  276   2HD2  LEU  40          2HD2      LEU  40   5.210  -5.242  -2.177
  277   3HD2  LEU  40          3HD2      LEU  40   5.213  -3.460  -2.142
  278    H    ILE  41           H        ILE  41   0.830  -1.448  -1.482
  279    HA   ILE  41           HA       ILE  41  -2.017  -2.047  -1.671
  280    HB   ILE  41           HB       ILE  41  -1.954  -0.601  -3.861
  281   1HG1  ILE  41          1HG1      ILE  41   0.983   0.003  -3.100
  282   2HG1  ILE  41          2HG1      ILE  41   0.572  -1.112  -4.382
  283   1HG2  ILE  41          1HG2      ILE  41  -2.409   0.301  -1.518
  284   2HG2  ILE  41          2HG2      ILE  41  -0.668   0.597  -1.288
  285   3HG2  ILE  41          3HG2      ILE  41  -1.583   1.496  -2.520
  286   1HD1  ILE  41          2HD1      ILE  41  -0.671   0.683  -5.635
  287   2HD1  ILE  41          3HD1      ILE  41  -0.208   1.863  -4.378
  288   3HD1  ILE  41          1HD1      ILE  41   1.043   1.074  -5.363
  289    H    MET  42           H        MET  42  -3.010  -3.633  -2.583
  290    HA   MET  42           HA       MET  42  -1.716  -5.421  -4.691
  291   1HB   MET  42          1HB       MET  42  -2.813  -6.392  -2.563
  292   2HB   MET  42          2HB       MET  42  -4.367  -5.833  -3.151
  293   1HG   MET  42          1HG       MET  42  -3.966  -7.307  -5.275
  294   2HG   MET  42          2HG       MET  42  -2.508  -7.912  -4.475
  295   1HE   MET  42          2HE       MET  42  -6.431  -7.300  -3.908
  296   2HE   MET  42          1HE       MET  42  -6.184  -8.619  -5.089
  297   3HE   MET  42          3HE       MET  42  -6.895  -8.973  -3.486
  298    H    GLU  43           H        GLU  43  -2.218  -5.099  -6.752
  299    HA   GLU  43           HA       GLU  43  -4.246  -3.111  -7.652
  300   1HB   GLU  43          1HB       GLU  43  -2.580  -5.125  -9.294
  301   2HB   GLU  43          2HB       GLU  43  -3.654  -3.946  -9.989
  302   1HG   GLU  43          1HG       GLU  43  -1.516  -2.993 -10.222
  303   2HG   GLU  43          2HG       GLU  43  -2.350  -2.039  -9.015
  304    HE2  GLU  43           HE2      GLU  43   0.027  -2.526  -6.592
  305    H    GLY  44           H        GLY  44  -6.175  -3.460  -8.263
  306   1HA   GLY  44          1HA       GLY  44  -8.195  -5.021  -8.893
  307   2HA   GLY  44          2HA       GLY  44  -7.474  -6.252  -7.867
  308    H    LEU  45           H        LEU  45  -7.288  -5.779  -5.565
  309    HA   LEU  45           HA       LEU  45  -9.177  -3.592  -4.483
  310   1HB   LEU  45          1HB       LEU  45  -8.892  -6.479  -3.443
  311   2HB   LEU  45          2HB       LEU  45  -9.755  -5.205  -2.609
  312    HG   LEU  45           HG       LEU  45 -10.536  -6.280  -5.386
  313   1HD1  LEU  45          2HD1      LEU  45 -10.810  -8.019  -3.612
  314   2HD1  LEU  45          3HD1      LEU  45 -11.784  -6.898  -2.630
  315   3HD1  LEU  45          1HD1      LEU  45 -12.387  -7.467  -4.207
  316   1HD2  LEU  45          3HD2      LEU  45 -12.085  -4.368  -3.505
  317   2HD2  LEU  45          1HD2      LEU  45 -11.371  -3.941  -5.080
  318   3HD2  LEU  45          2HD2      LEU  45 -12.721  -5.083  -5.009
  319    H    SER  46           H        SER  46  -7.659  -2.187  -3.833
  320    HA   SER  46           HA       SER  46  -5.102  -3.025  -2.458
  321   1HB   SER  46          1HB       SER  46  -6.234  -0.212  -3.104
  322   2HB   SER  46          2HB       SER  46  -4.655  -0.528  -2.381
  323    HG   SER  46           HG       SER  46  -4.559  -0.292  -4.614
  324    H    PHE  47           H        PHE  47  -4.907  -3.232  -0.390
  325    HA   PHE  47           HA       PHE  47  -5.389  -3.470   1.948
  326   1HB   PHE  47          1HB       PHE  47  -5.466  -1.300   3.136
  327   2HB   PHE  47          2HB       PHE  47  -4.212  -1.370   1.959
  328    HD1  PHE  47           HD2      PHE  47  -4.242   0.140  -0.055
  329    HD2  PHE  47           HD1      PHE  47  -7.245   0.454   3.001
  330    HE1  PHE  47           HE2      PHE  47  -4.927   2.329  -0.942
  331    HE2  PHE  47           HE1      PHE  47  -7.927   2.635   2.101
  332    HZ   PHE  47           HZ       PHE  47  -6.785   3.570   0.118
  333    H    ALA  48           H        ALA  48  -7.145  -4.763   1.804
  334    HA   ALA  48           HA       ALA  48  -9.332  -5.593   2.218
  335   1HB   ALA  48          1HB       ALA  48  -9.089  -4.344   4.417
  336   2HB   ALA  48          2HB       ALA  48  -9.766  -2.871   3.685
  337   3HB   ALA  48          3HB       ALA  48 -10.767  -4.327   3.850
  338    HXT  ALA  48           HO       ALA  48 -10.949  -4.572  -0.609
   
  No H/Q in entry =         338
   
  No H/Q in entry =         338