*HEADER   NEUROTOXIN                              14-APR-95   1AGT    
*COMPND   AGITOXIN 2 (NMR, 17 STRUCTURES)                             
*SOURCE   MOLECULE: AGITOXIN 2;                                       
*SOURCE  2 ORGANISM_SCIENTIFIC: LEIURUS QUINQUESTRIATUS HEBRAEUS;     
*SOURCE  3 ORGANISM_COMMON: SCORPION;                                 
*SOURCE  4 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);             
*SOURCE  5 EXPRESSION_SYSTEM_PLASMID: PCSP105;                        
*SOURCE  6 EXPRESSION_SYSTEM_GENE: AGTX2                              
*KEYWDS   POTASSIUM CHANNEL BLOCKER                                   
*EXPDTA   NMR, 17 STRUCTURES                                          
*AUTHOR   A.M.KREZEL,C.KASIBHATLA,P.HIDALGO,R.MACKINNON,G.WAGNER      
*REVDAT  1   10-JUL-95 1AGT    0                                      

#REVDAT   1   21-FEB-95         0                                                
#restraints for Agitoxin 2
#used with NMRachitect (Biosym 2.3.0)
#options used: correct floats and add corrections
#stereospecific constraints contain letters S or R
!BIOSYM restraint 1
!
#remote_prochiral_center
!
#chiral
1:VAL_2:CA         S
1:PRO_3:CA         S
1:ILE_4:CA         S
1:ASN_5:CA         S
1:VAL_6:CA         S
1:SER_7:CA         S
1:CYS_8:CA         R
1:THR_9:CA         S
1:SER_11:CA        S
1:PRO_12:CA        S
1:GLN_13:CA        S
1:CYS_14:CA        R
1:ILE_15:CA        S
1:LYS+_16:CA       S
1:PRO_17:CA        S
1:CYS_18:CA        R
1:LYS+_19:CA       S
1:ASP-_20:CA       S
1:ALA_21:CA        S
1:MET_23:CA        S
1:ARG+_24:CA       S
1:PHE_25:CA        S
1:LYS+_27:CA       S
1:CYS_28:CA        R
1:MET_29:CA        S
1:ASN_30:CA        S
1:ARG+_31:CA       S
1:LYS+_32:CA       S
1:CYS_33:CA        R
1:HIS+_34:CA       S
1:CYS_35:CA        R
1:THR_36:CA        S
1:PRO_37:CA        S
1:LY+C_38:CA       S
!
#distance
!beta-sheet
1:LYS+_27:O        1:HIS+_34:HN        1.800  2.300 100.00 100.00 1000.000
1:LYS+_27:O        1:HIS+_34:N         2.500  3.300 100.00 100.00 1000.000
1:HIS+_34:O        1:LYS+_27:HN        1.800  2.300 100.00 100.00 1000.000
1:HIS+_34:O        1:LYS+_27:N         2.500  3.300 100.00 100.00 1000.000
1:MET_29:O         1:LYS+_32:HN        1.800  2.300 100.00 100.00 1000.000
1:MET_29:O         1:LYS+_32:N         2.500  3.300 100.00 100.00 1000.000
1:LYS+_32:O        1:MET_29:HN         1.800  2.300 100.00 100.00 1000.000
1:LYS+_32:O        1:MET_29:N          2.500  3.300 100.00 100.00 1000.000
1:PHE_25:O         1:THR_36:HN         1.800  2.300 100.00 100.00 1000.000
1:PHE_25:O         1:THR_36:N          2.500  3.300 100.00 100.00 1000.000
1:ARG+_31:O        1:CYS_8:HN          1.800  2.300 100.00 100.00 1000.000
1:ARG+_31:O        1:CYS_8:N           2.500  3.300 100.00 100.00 1000.000
!alpha-helix
1:PRO_17:O         1:ALA_21:HN         1.800  2.300 100.00 100.00 1000.000
1:PRO_17:O         1:ALA_21:N          2.500  3.300 100.00 100.00 1000.000
1:ILE_15:O         1:LYS+_19:HN        1.800  2.300 100.00 100.00 1000.000
1:ILE_15:O         1:LYS+_19:N         2.500  3.300 100.00 100.00 1000.000
1:CYS_14:O         1:CYS_18:HN         1.800  2.300 100.00 100.00 1000.000
1:CYS_14:O         1:CYS_18:N          2.500  3.300 100.00 100.00 1000.000
!ASN and GLN side chain amides 
1:GLN_13:HE21      1:GLN_13:OE1        2.290  2.350 100.00 100.00 1000.000
1:GLN_13:HE22      1:GLN_13:OE1        3.070  3.130 100.00 100.00 1000.000
1:ASN_5:HD21       1:ASN_5:OD1         2.290  2.350 100.00 100.00 1000.000
1:ASN_5:HD22       1:ASN_5:OD1         3.070  3.130 100.00 100.00 1000.000
1:ASN_30:HD21      1:ASN_30:OD1        2.290  2.350 100.00 100.00 1000.000
1:ASN_30:HD22      1:ASN_30:OD1        3.070  3.130 100.00 100.00 1000.000
#NOE_distance
1:GLYN_1:HA1	1:VAL_2:HN	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:GLYN_1:HA1	1:HIS+_34:HBR	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:GLYN_1:HA2	1:VAL_2:HN	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:VAL_2:HB*	1:PRO_3:HD1	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:VAL_2:HGR*	1:VAL_2:HN	-1.000    6.000  6.000 10.00 10.00 1000.000 0.00
1:VAL_2:HGR*	1:VAL_2:HA	-1.000    3.589  3.589 10.00 10.00 1000.000 0.00
1:VAL_2:HGR*	1:PRO_3:HD1	-1.000    3.796  3.796 10.00 10.00 1000.000 0.00
1:VAL_2:HGR*	1:MET_23:HE*	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:VAL_2:HGS*	1:VAL_2:HN	-1.000    3.589  3.589 10.00 10.00 1000.000 0.00
1:VAL_2:HGS*	1:VAL_2:HA	-1.000    3.589  3.589 10.00 10.00 1000.000 0.00
1:VAL_2:HGS*	1:PRO_3:HD1	-1.000    6.000  6.000 10.00 10.00 1000.000 0.00
1:VAL_2:HGS*	1:PRO_37:HD*	-1.000    3.796  3.796 10.00 10.00 1000.000 0.00
1:VAL_2:HGS*	1:PRO_37:HBR	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:VAL_2:HGS*	1:PRO_37:HBS	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:VAL_2:HGS*	1:PRO_37:HG1	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:VAL_2:HGS*	1:PRO_37:HG2	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:VAL_2:HN	1:VAL_2:HA	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:VAL_2:HN	1:VAL_2:HB	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:VAL_2:HN	1:PRO_37:HD*	-1.000    4.750  4.750 10.00 10.00 1000.000 0.00
1:VAL_2:HA	1:VAL_2:HB	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:VAL_2:HA	1:PRO_3:HD1	-1.000    3.796  3.796 10.00 10.00 1000.000 0.00
1:VAL_2:HA	1:PRO_3:HD2	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:PRO_3:HB*	1:PRO_3:HA	-1.000    3.208  3.208 10.00 10.00 1000.000 0.00
1:PRO_3:HB*	1:ILE_4:HN	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:PRO_3:HB*	1:HIS+_34:HA	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:PRO_3:HB*	1:HIS+_34:HE1	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:PRO_3:HA	1:HIS+_34:HA	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:PRO_3:HA	1:HIS+_34:HE1	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:PRO_3:HA	1:CYS_35:HN	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:PRO_3:HG1	1:PRO_3:HD1	-1.000    3.589  3.589 10.00 10.00 1000.000 0.00
1:PRO_3:HG1	1:PRO_3:HD2	-1.000    3.589  3.589 10.00 10.00 1000.000 0.00
1:PRO_3:HG2	1:PRO_3:HD1	-1.000    3.796  3.796 10.00 10.00 1000.000 0.00
1:PRO_3:HG2	1:PRO_3:HD2	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:ILE_4:HG12	1:ILE_4:HN	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:ILE_4:HG11	1:ILE_4:HN	-1.000    3.589  3.589 10.00 10.00 1000.000 0.00
1:ILE_4:HG12	1:ILE_4:HG2*	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:ILE_4:HG12	1:ILE_4:HD1*	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:ILE_4:HG11	1:ILE_4:HG2*	-1.000    3.796  3.796 10.00 10.00 1000.000 0.00
1:ILE_4:HG11	1:ILE_4:HD1*	-1.000    3.393  3.393 10.00 10.00 1000.000 0.00
1:ILE_4:HG2*	1:ILE_4:HD1*	-1.000    3.033  3.033 10.00 10.00 1000.000 0.00
1:ILE_4:HG2*	1:ILE_4:HN	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:ILE_4:HG2*	1:ILE_4:HA	-1.000    3.208  3.208 10.00 10.00 1000.000 0.00
1:ILE_4:HG2*	1:ILE_4:HB	-1.000    3.208  3.208 10.00 10.00 1000.000 0.00
1:ILE_4:HG2*	1:ASN_5:HN	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:ILE_4:HG2*	1:ALA_21:HB*	-1.000    3.393  3.393 10.00 10.00 1000.000 0.00
1:ILE_4:HG2*	1:MET_23:HE*	-1.000    3.208  3.208 10.00 10.00 1000.000 0.00
1:ILE_4:HG2*	1:CYS_35:HN	-1.000    4.750  4.750 10.00 10.00 1000.000 0.00
1:ILE_4:HD1*	1:ILE_4:HN	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:ILE_4:HD1*	1:ILE_4:HA	-1.000    6.000  6.000 10.00 10.00 1000.000 0.00
1:ILE_4:HD1*	1:ILE_4:HB	-1.000    3.393  3.393 10.00 10.00 1000.000 0.00
1:ILE_4:HD1*	1:ASN_5:HN	-1.000    6.000  6.000 10.00 10.00 1000.000 0.00
1:ILE_4:HD1*	1:VAL_6:HGS*	-1.000    3.208  3.208 10.00 10.00 1000.000 0.00
1:ILE_4:HD1*	1:VAL_6:HGR*	-1.000    3.589  3.589 10.00 10.00 1000.000 0.00
1:ILE_4:HD1*	1:VAL_6:HB	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:ILE_4:HD1*	1:PRO_17:HA	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:ILE_4:HD1*	1:PRO_17:HBR	-1.000    3.589  3.589 10.00 10.00 1000.000 0.00
1:ILE_4:HD1*	1:PRO_17:HBS	-1.000    3.796  3.796 10.00 10.00 1000.000 0.00
1:ILE_4:HD1*	1:PRO_17:HG2	-1.000    6.000  6.000 10.00 10.00 1000.000 0.00
1:ILE_4:HD1*	1:CYS_18:HN	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:ILE_4:HD1*	1:CYS_18:HA	-1.000    3.796  3.796 10.00 10.00 1000.000 0.00
1:ILE_4:HD1*	1:ALA_21:HB*	-1.000    3.589  3.589 10.00 10.00 1000.000 0.00
1:ILE_4:HD1*	1:ALA_21:HN	-1.000    6.000  6.000 10.00 10.00 1000.000 0.00
1:ILE_4:HD1*	1:MET_23:HE*	-1.000    6.000  6.000 10.00 10.00 1000.000 0.00
1:ILE_4:HD1*	1:CYS_33:HBS	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:ILE_4:HD1*	1:CYS_33:HBR	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:ILE_4:HG12	1:VAL_6:HB	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:ILE_4:HG11	1:VAL_6:HB	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:ILE_4:HG12	1:ILE_4:HB	-1.000    3.796  3.796 10.00 10.00 1000.000 0.00
1:ILE_4:HG11	1:ILE_4:HB	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:ILE_4:HN	1:ILE_4:HA	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:ILE_4:HN	1:ILE_4:HB	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:ILE_4:HN	1:ASN_5:HN	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:ILE_4:HN	1:HIS+_34:HA	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:ILE_4:HA	1:ILE_4:HB	-1.000    3.589  3.589 10.00 10.00 1000.000 0.00
1:ILE_4:HA	1:ASN_5:HN	-1.000    3.208  3.208 10.00 10.00 1000.000 0.00
1:ILE_4:HB	1:ASN_5:HN	-1.000    3.393  3.393 10.00 10.00 1000.000 0.00
1:ILE_4:HG12	1:ASN_5:HN	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:ILE_4:HG12	1:VAL_6:HN	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:ILE_4:HG12	1:CYS_33:HBS	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:ILE_4:HG12	1:CYS_33:HBR	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:ILE_4:HG11	1:CYS_33:HBS	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:ILE_4:HG11	1:CYS_33:HBR	-1.000    4.750  4.750 10.00 10.00 1000.000 0.00
1:ASN_5:HN	1:ASN_5:HBR	-1.000    3.589  3.589 10.00 10.00 1000.000 0.00
1:ASN_5:HN	1:ASN_5:HBS	-1.000    3.796  3.796 10.00 10.00 1000.000 0.00
1:ASN_5:HN	1:VAL_6:HGS*	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:ASN_5:HN	1:VAL_6:HN	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:ASN_5:HD22	1:ASN_5:HBS	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:ASN_5:HD22	1:ASN_5:HBR	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:ASN_5:HBR	1:ASN_5:HD21	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:ASN_5:HBS	1:ASN_5:HD21	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:VAL_6:HGS*	1:VAL_6:HN	-1.000    3.796  3.796 10.00 10.00 1000.000 0.00
1:VAL_6:HGS*	1:VAL_6:HA	-1.000    3.208  3.208 10.00 10.00 1000.000 0.00
1:VAL_6:HGS*	1:VAL_6:HB	-1.000    3.208  3.208 10.00 10.00 1000.000 0.00
1:VAL_6:HGS*	1:SER_7:HN	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:VAL_6:HGS*	1:PRO_17:HBR	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:VAL_6:HGS*	1:PRO_17:HBS	-1.000    3.796  3.796 10.00 10.00 1000.000 0.00
1:VAL_6:HGS*	1:PRO_17:HG1	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:VAL_6:HGS*	1:PRO_17:HG2	-1.000    4.750  4.750 10.00 10.00 1000.000 0.00
1:VAL_6:HGS*	1:CYS_33:HBS	-1.000    4.750  4.750 10.00 10.00 1000.000 0.00
1:VAL_6:HGR*	1:VAL_6:HN	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:VAL_6:HGR*	1:VAL_6:HA	-1.000    3.393  3.393 10.00 10.00 1000.000 0.00
1:VAL_6:HGR*	1:VAL_6:HB	-1.000    3.208  3.208 10.00 10.00 1000.000 0.00
1:VAL_6:HGR*	1:SER_7:HN	-1.000    3.393  3.393 10.00 10.00 1000.000 0.00
1:VAL_6:HGR*	1:PRO_17:HBR	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:VAL_6:HGR*	1:PRO_17:HBS	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:VAL_6:HGR*	1:PRO_17:HG1	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:VAL_6:HGR*	1:PRO_17:HG2	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:VAL_6:HGR*	1:CYS_33:HN	-1.000    4.750  4.750 10.00 10.00 1000.000 0.00
1:VAL_6:HGR*	1:CYS_33:HBS	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:VAL_6:HN	1:VAL_6:HA	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:VAL_6:HN	1:VAL_6:HB	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:VAL_6:HN	1:SER_7:HN	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:VAL_6:HA	1:VAL_6:HB	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:VAL_6:HA	1:SER_7:HN	-1.000    3.033  3.033 10.00 10.00 1000.000 0.00
1:VAL_6:HA	1:SER_7:HA	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:VAL_6:HB	1:CYS_33:HN	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:VAL_6:HB	1:CYS_33:HBS	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:VAL_6:HB	1:CYS_33:HBR	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:SER_7:HN	1:SER_7:HA	-1.000    3.796  3.796 10.00 10.00 1000.000 0.00
1:SER_7:HN	1:SER_7:HBR	-1.000    3.393  3.393 10.00 10.00 1000.000 0.00
1:SER_7:HN	1:SER_7:HBS	-1.000    3.796  3.796 10.00 10.00 1000.000 0.00
1:SER_7:HA	1:SER_7:HBR	-1.000    3.589  3.589 10.00 10.00 1000.000 0.00
1:SER_7:HA	1:SER_7:HBS	-1.000    3.589  3.589 10.00 10.00 1000.000 0.00
1:SER_7:HA	1:CYS_8:HN	-1.000    3.033  3.033 10.00 10.00 1000.000 0.00
1:SER_7:HA	1:LYS+_32:HA	-1.000    3.393  3.393 10.00 10.00 1000.000 0.00
1:SER_7:HBR	1:CYS_8:HN	-1.000    4.208  4.208 10.00 10.00 1000.000 0.00
1:SER_7:HBS	1:CYS_8:HN	-1.000    3.796  3.796 10.00 10.00 1000.000 0.00
1:CYS_8:HN	1:CYS_8:HA	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:CYS_8:HN	1:CYS_8:HBS	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:CYS_8:HN	1:ARG+_31:HA	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:CYS_8:HN	1:ARG+_31:HBS	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:CYS_8:HN	1:LYS+_32:HN	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:CYS_8:HN	1:LYS+_32:HA	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:CYS_8:HN      1:CYS_33:HN     -1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:CYS_8:HA	1:CYS_8:HBS	-1.000    3.589  3.589 10.00 10.00 1000.000 0.00
1:CYS_8:HA	1:CYS_8:HBR	-1.000    3.589  3.589 10.00 10.00 1000.000 0.00
1:CYS_8:HA	1:THR_9:HN	-1.000    3.393  3.393 10.00 10.00 1000.000 0.00
1:CYS_8:HA	1:THR_9:HA	-1.000    4.750  4.750 10.00 10.00 1000.000 0.00
1:CYS_8:HA	1:GLY_10:HN	-1.000    4.500  4.500 10.00 10.00 1000.000 0.00
1:CYS_8:HA	1:GLN_13:HBS	-1.000    4.750  4.750 10.00 10.00 1000.000 0.00
1:CYS_8:HA	1:GLN_13:HBR	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:CYS_8:HBS	1:THR_9:HN	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:CYS_8:HBS	1:GLY_10:HN	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:CYS_8:HBS	1:CYS_28:HBS	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:CYS_8:HBR	1:THR_9:HN	-1.000    3.796  3.796 10.00 10.00 1000.000 0.00
1:CYS_8:HBR	1:GLY_10:HN	-1.000    3.589  3.589 10.00 10.00 1000.000 0.00
1:CYS_8:HBR	1:SER_11:HA	-1.000    4.750  4.750 10.00 10.00 1000.000 0.00
1:CYS_8:HBR	1:GLN_13:HBS	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:CYS_8:HBR	1:GLN_13:HBR	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:CYS_8:HBR	1:CYS_28:HBS	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:THR_9:HG2*	1:THR_9:HN	-1.000    3.796  3.796 10.00 10.00 1000.000 0.00
1:THR_9:HG2*	1:THR_9:HA	-1.000    3.033  3.033 10.00 10.00 1000.000 0.00
1:THR_9:HG2*	1:THR_9:HB	-1.000    3.033  3.033 10.00 10.00 1000.000 0.00
1:THR_9:HG2*	1:GLY_10:HN	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:THR_9:HN	1:THR_9:HA	-1.000    3.796  3.796 10.00 10.00 1000.000 0.00
1:THR_9:HN	1:THR_9:HB	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:THR_9:HN	1:GLY_10:HN	-1.000    3.033  3.033 10.00 10.00 1000.000 0.00
1:THR_9:HN	1:GLN_13:HE22	-1.000    4.750  4.750 10.00 10.00 1000.000 0.00
1:THR_9:HN	1:GLN_13:HG1	-1.000    4.750  4.750 10.00 10.00 1000.000 0.00
1:THR_9:HA	1:THR_9:HB	-1.000    3.208  3.208 10.00 10.00 1000.000 0.00
1:THR_9:HB	1:GLY_10:HN	-1.000    4.750  4.750 10.00 10.00 1000.000 0.00
1:GLY_10:HN	1:GLY_10:HA1	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:GLY_10:HN	1:GLY_10:HA2	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:GLY_10:HN	1:SER_11:HN	-1.000    4.750  4.750 10.00 10.00 1000.000 0.00
1:GLY_10:HN	1:GLN_13:HG1	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:GLY_10:HA1	1:SER_11:HN	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:GLY_10:HA1	1:PRO_12:HD1	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:GLY_10:HA1	1:GLN_13:HN	-1.000    6.000  6.000 10.00 10.00 1000.000 0.00
1:GLY_10:HA1	1:CYS_28:HBR	-1.000    6.000  6.000 10.00 10.00 1000.000 0.00
1:GLY_10:HA2	1:SER_11:HN	-1.000    3.796  3.796 10.00 10.00 1000.000 0.00
1:GLY_10:HA2	1:PRO_12:HD1	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:GLY_10:HA2	1:CYS_28:HBR	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:SER_11:HB*	1:SER_11:HN	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:SER_11:HB*	1:PRO_12:HD2	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:SER_11:HB*	1:LYS+_27:HA	-1.000    3.796  3.796 10.00 10.00 1000.000 0.00
1:SER_11:HB*	1:CYS_28:HN	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:SER_11:HB*	1:CYS_28:HBS	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:SER_11:HB*	1:CYS_28:HBR	-1.000    6.000  6.000 10.00 10.00 1000.000 0.00
1:SER_11:HN	1:SER_11:HA	-1.000    3.393  3.393 10.00 10.00 1000.000 0.00
1:SER_11:HN	1:PRO_12:HD1	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:SER_11:HN	1:PRO_12:HD2	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:SER_11:HN	1:CYS_28:HBS	-1.000    6.000  6.000 10.00 10.00 1000.000 0.00
1:SER_11:HN	1:CYS_28:HBR	-1.000    6.000  6.000 10.00 10.00 1000.000 0.00
1:SER_11:HA	1:PRO_12:HD1	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:SER_11:HA	1:PRO_12:HD2	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:SER_11:HA	1:CYS_14:HBS	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:SER_11:HA	1:LYS+_27:HA	-1.000    4.000  4.000 10.00 10.00 1000.000 0.00
1:SER_11:HA	1:CYS_28:HN	-1.000    3.589  3.589 10.00 10.00 1000.000 0.00
1:SER_11:HA	1:CYS_28:HA	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:SER_11:HA	1:CYS_28:HBS	-1.000    3.393  3.393 10.00 10.00 1000.000 0.00
1:SER_11:HA	1:CYS_28:HBR	-1.000    3.796  3.796 10.00 10.00 1000.000 0.00
1:PRO_12:HA	1:PRO_12:HBR	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:PRO_12:HA	1:PRO_12:HBS	-1.000    3.393  3.393 10.00 10.00 1000.000 0.00
1:PRO_12:HA	1:PRO_12:HG2	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:PRO_12:HA	1:GLN_13:HN	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:PRO_12:HA	1:CYS_14:HN	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:PRO_12:HA	1:ILE_15:HD1*	-1.000    3.796  3.796 10.00 10.00 1000.000 0.00
1:PRO_12:HA	1:ILE_15:HN	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:PRO_12:HA	1:ILE_15:HG12	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:PRO_12:HA	1:ILE_15:HG11	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:PRO_12:HBR	1:GLN_13:HN	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:PRO_12:HBS	1:PRO_12:HD1	-1.000    4.750  4.750 10.00 10.00 1000.000 0.00
1:PRO_12:HBS	1:GLN_13:HN	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:PRO_12:HG1	1:PRO_12:HD1	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:PRO_12:HG1	1:PRO_12:HD2	-1.000    3.796  3.796 10.00 10.00 1000.000 0.00
1:PRO_12:HG2	1:PRO_12:HD1	-1.000    3.796  3.796 10.00 10.00 1000.000 0.00
1:PRO_12:HG2	1:PRO_12:HD2	-1.000    3.589  3.589 10.00 10.00 1000.000 0.00
1:PRO_12:HG2	1:GLN_13:HN	-1.000    6.000  6.000 10.00 10.00 1000.000 0.00
1:PRO_12:HD1	1:GLN_13:HN	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:PRO_12:HD2	1:GLN_13:HN	-1.000    4.750  4.750 10.00 10.00 1000.000 0.00
1:GLN_13:HG2	1:GLN_13:HN	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:GLN_13:HG2	1:GLN_13:HE22	-1.000    3.796  3.796 10.00 10.00 1000.000 0.00
1:GLN_13:HG2	1:GLN_13:HA	-1.000    3.589  3.589 10.00 10.00 1000.000 0.00
1:GLN_13:HG2	1:GLN_13:HE21	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:GLN_13:HN	1:GLN_13:HA	-1.000    3.589  3.589 10.00 10.00 1000.000 0.00
1:GLN_13:HN	1:GLN_13:HBS	-1.000    3.796  3.796 10.00 10.00 1000.000 0.00
1:GLN_13:HN	1:GLN_13:HBR	-1.000    3.393  3.393 10.00 10.00 1000.000 0.00
1:GLN_13:HN	1:CYS_14:HN	-1.000    3.393  3.393 10.00 10.00 1000.000 0.00
1:GLN_13:HA	1:GLN_13:HBS	-1.000    3.589  3.589 10.00 10.00 1000.000 0.00
1:GLN_13:HA	1:GLN_13:HBR	-1.000    3.393  3.393 10.00 10.00 1000.000 0.00
1:GLN_13:HA	1:CYS_14:HN	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:GLN_13:HA	1:ILE_15:HN	-1.000    4.750  4.750 10.00 10.00 1000.000 0.00
1:GLN_13:HE22	1:GLN_13:HG1	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:GLN_13:HE22	1:GLN_13:HBS	-1.000    4.750  4.750 10.00 10.00 1000.000 0.00
1:GLN_13:HG1	1:GLN_13:HE21	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:GLN_13:HBR	1:CYS_14:HN	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:CYS_14:HN	1:CYS_14:HBS	-1.000    3.589  3.589 10.00 10.00 1000.000 0.00
1:CYS_14:HN	1:CYS_14:HBR	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:CYS_14:HN	1:ILE_15:HN	-1.000    3.208  3.208 10.00 10.00 1000.000 0.00
1:CYS_14:HA	1:PRO_17:HBR	-1.000    4.750  4.750 10.00 10.00 1000.000 0.00
1:CYS_14:HA	1:PRO_17:HBS	-1.000    4.750  4.750 10.00 10.00 1000.000 0.00
1:CYS_14:HA	1:PRO_17:HD1	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:CYS_14:HA	1:PRO_17:HD2	-1.000    6.000  6.000 10.00 10.00 1000.000 0.00
1:CYS_14:HBS	1:ILE_15:HN	-1.000    4.750  4.750 10.00 10.00 1000.000 0.00
1:CYS_14:HBS	1:GLY_26:HA1	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:CYS_14:HBS	1:GLY_26:HA2	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:CYS_14:HBR	1:CYS_33:HBR	-1.000    3.796  3.796 10.00 10.00 1000.000 0.00
1:CYS_14:HBR	1:ILE_15:HN	-1.000    4.750  4.750 10.00 10.00 1000.000 0.00
1:CYS_14:HBR	1:GLY_26:HA1	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:CYS_14:HBR	1:GLY_26:HA2	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:ILE_15:HG11	1:ILE_15:HG2*	-1.000    3.589  3.589 10.00 10.00 1000.000 0.00
1:ILE_15:HG11	1:ILE_15:HD1*	-1.000    3.589  3.589 10.00 10.00 1000.000 0.00
1:ILE_15:HG2*	1:ILE_15:HN	-1.000    3.589  3.589 10.00 10.00 1000.000 0.00
1:ILE_15:HG2*	1:ILE_15:HA	-1.000    3.208  3.208 10.00 10.00 1000.000 0.00
1:ILE_15:HG2*	1:ILE_15:HG12	-1.000    3.796  3.796 10.00 10.00 1000.000 0.00
1:ILE_15:HG2*	1:LYS+_16:HN	-1.000    3.796  3.796 10.00 10.00 1000.000 0.00
1:ILE_15:HG2*	1:LYS+_16:HA	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:ILE_15:HG2*	1:LYS+_19:HD*	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:ILE_15:HD1*	1:ILE_15:HN	-1.000    3.796  3.796 10.00 10.00 1000.000 0.00
1:ILE_15:HD1*	1:ILE_15:HA	-1.000    3.589  3.589 10.00 10.00 1000.000 0.00
1:ILE_15:HD1*	1:ILE_15:HG12	-1.000    3.393  3.393 10.00 10.00 1000.000 0.00
1:ILE_15:HD1*	1:GLY_26:HN	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:ILE_15:HG12	1:ILE_15:HB	-1.000    3.796  3.796 10.00 10.00 1000.000 0.00
1:ILE_15:HG11	1:ILE_15:HB	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:ILE_15:HN	1:ILE_15:HA	-1.000    3.393  3.393 10.00 10.00 1000.000 0.00
1:ILE_15:HN	1:ILE_15:HB	-1.000    3.208  3.208 10.00 10.00 1000.000 0.00
1:ILE_15:HN	1:ILE_15:HG12	-1.000    3.393  3.393 10.00 10.00 1000.000 0.00
1:ILE_15:HN	1:ILE_15:HG11	-1.000    3.393  3.393 10.00 10.00 1000.000 0.00
1:ILE_15:HN	1:LYS+_16:HN	-1.000    3.393  3.393 10.00 10.00 1000.000 0.00
1:ILE_15:HN	1:PRO_17:HD1	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:ILE_15:HA	1:ILE_15:HB	-1.000    3.796  3.796 10.00 10.00 1000.000 0.00
1:ILE_15:HA	1:ILE_15:HG12	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:ILE_15:HA	1:ILE_15:HG11	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:ILE_15:HA	1:LYS+_16:HN	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:ILE_15:HA	1:CYS_18:HN	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:ILE_15:HA	1:CYS_18:HBR	-1.000    4.750  4.750 10.00 10.00 1000.000 0.00
1:ILE_15:HA	1:CYS_18:HBS	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:ILE_15:HA	1:LYS+_19:HN	-1.000    6.000  6.000 10.00 10.00 1000.000 0.00
1:ILE_15:HB	1:LYS+_16:HN	-1.000    3.208  3.208 10.00 10.00 1000.000 0.00
1:ILE_15:HG12	1:LYS+_16:HN	-1.000    4.750  4.750 10.00 10.00 1000.000 0.00
1:LYS+_16:HN	1:LYS+_16:HA	-1.000    3.589  3.589 10.00 10.00 1000.000 0.00
1:LYS+_16:HN	1:LYS+_16:HB1	-1.000    3.393  3.393 10.00 10.00 1000.000 0.00
1:LYS+_16:HN	1:LYS+_16:HB2	-1.000    3.393  3.393 10.00 10.00 1000.000 0.00
1:LYS+_16:HN	1:PRO_17:HD1	-1.000    3.393  3.393 10.00 10.00 1000.000 0.00
1:LYS+_16:HN	1:PRO_17:HD2	-1.000    3.589  3.589 10.00 10.00 1000.000 0.00
1:LYS+_16:HA	1:LYS+_16:HB1	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:LYS+_16:HA	1:LYS+_16:HB2	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:LYS+_16:HB1	1:PRO_17:HD1	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:LYS+_16:HB1	1:PRO_17:HD2	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:LYS+_16:HB2	1:PRO_17:HD1	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:LYS+_16:HB2	1:PRO_17:HD2	-1.000    3.589  3.589 10.00 10.00 1000.000 0.00
1:PRO_17:HA	1:PRO_17:HBR	-1.000    3.796  3.796 10.00 10.00 1000.000 0.00
1:PRO_17:HA	1:PRO_17:HBS	-1.000    3.393  3.393 10.00 10.00 1000.000 0.00
1:PRO_17:HA	1:PRO_17:HG1	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:PRO_17:HA	1:PRO_17:HG2	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:PRO_17:HA	1:CYS_18:HN	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:PRO_17:HA	1:ASP-_20:HN	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:PRO_17:HBR	1:PRO_17:HD1	-1.000    4.750  4.750 10.00 10.00 1000.000 0.00
1:PRO_17:HBR	1:PRO_17:HD2	-1.000    4.750  4.750 10.00 10.00 1000.000 0.00
1:PRO_17:HBR	1:CYS_18:HN	-1.000    3.589  3.589 10.00 10.00 1000.000 0.00
1:PRO_17:HBS	1:PRO_17:HD1	-1.000    4.750  4.750 10.00 10.00 1000.000 0.00
1:PRO_17:HBS	1:PRO_17:HD2	-1.000    6.000  6.000 10.00 10.00 1000.000 0.00
1:PRO_17:HBS	1:CYS_18:HN	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:PRO_17:HG1	1:PRO_17:HD1	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:PRO_17:HG1	1:PRO_17:HD2	-1.000    3.796  3.796 10.00 10.00 1000.000 0.00
1:PRO_17:HG2	1:PRO_17:HD1	-1.000    3.796  3.796 10.00 10.00 1000.000 0.00
1:PRO_17:HG2	1:PRO_17:HD2	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:PRO_17:HD1	1:CYS_18:HN	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:PRO_17:HD2	1:LYS+_19:HG1	-1.000    6.000  6.000 10.00 10.00 1000.000 0.00
1:CYS_18:HN	1:CYS_18:HA	-1.000    3.796  3.796 10.00 10.00 1000.000 0.00
1:CYS_18:HN	1:CYS_18:HBR	-1.000    3.796  3.796 10.00 10.00 1000.000 0.00
1:CYS_18:HN	1:CYS_18:HBS	-1.000    3.393  3.393 10.00 10.00 1000.000 0.00
1:CYS_18:HN	1:LYS+_19:HN	-1.000    3.393  3.393 10.00 10.00 1000.000 0.00
1:CYS_18:HN	1:ASP-_20:HN	-1.000    6.000  6.000 10.00 10.00 1000.000 0.00
1:CYS_18:HA	1:CYS_18:HBR	-1.000    3.589  3.589 10.00 10.00 1000.000 0.00
1:CYS_18:HA	1:CYS_18:HBS	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:CYS_18:HA	1:LYS+_19:HN	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:CYS_18:HA	1:CYS_35:HBR	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:CYS_18:HBR	1:LYS+_19:HN	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:CYS_18:HBR	1:CYS_35:HA	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:CYS_18:HBR	1:CYS_35:HBS	-1.000    4.750  4.750 10.00 10.00 1000.000 0.00
1:CYS_18:HBR	1:CYS_35:HBR	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:CYS_18:HBS	1:LYS+_19:HN	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:LYS+_19:HD*	1:LYS+_19:HN	-1.000    4.750  4.750 10.00 10.00 1000.000 0.00
1:LYS+_19:HN	1:LYS+_19:HA	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:LYS+_19:HN	1:LYS+_19:HB1	-1.000    3.393  3.393 10.00 10.00 1000.000 0.00
1:LYS+_19:HN	1:LYS+_19:HB2	-1.000    3.393  3.393 10.00 10.00 1000.000 0.00
1:LYS+_19:HN	1:LYS+_19:HG1	-1.000    4.750  4.750 10.00 10.00 1000.000 0.00
1:LYS+_19:HN	1:LYS+_19:HG2	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:LYS+_19:HN	1:ASP-_20:HN	-1.000    3.208  3.208 10.00 10.00 1000.000 0.00
1:LYS+_19:HA	1:LYS+_19:HB1	-1.000    3.796  3.796 10.00 10.00 1000.000 0.00
1:LYS+_19:HA	1:LYS+_19:HB2	-1.000    3.796  3.796 10.00 10.00 1000.000 0.00
1:LYS+_19:HA	1:ASP-_20:HN	-1.000    3.796  3.796 10.00 10.00 1000.000 0.00
1:LYS+_19:HA	1:ALA_21:HN	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:LYS+_19:HA	1:GLY_22:HN	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:LYS+_19:HA	1:MET_23:HN	-1.000    3.796  3.796 10.00 10.00 1000.000 0.00
1:LYS+_19:HB1	1:ASP-_20:HN	-1.000    3.796  3.796 10.00 10.00 1000.000 0.00
1:LYS+_19:HB2	1:ASP-_20:HN	-1.000    3.589  3.589 10.00 10.00 1000.000 0.00
1:LYS+_19:HG1	1:ASP-_20:HN	-1.000    4.750  4.750 10.00 10.00 1000.000 0.00
1:LYS+_19:HG2	1:ASP-_20:HN	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:ASP-_20:HB*	1:ASP-_20:HN	-1.000    2.867  2.867 10.00 10.00 1000.000 0.00
1:ASP-_20:HB*	1:ASP-_20:HA	-1.000    3.033  3.033 10.00 10.00 1000.000 0.00
1:ASP-_20:HB*	1:ALA_21:HN	-1.000    3.589  3.589 10.00 10.00 1000.000 0.00
1:ASP-_20:HN	1:ASP-_20:HA	-1.000    3.589  3.589 10.00 10.00 1000.000 0.00
1:ASP-_20:HN	1:ALA_21:HN	-1.000    3.393  3.393 10.00 10.00 1000.000 0.00
1:ASP-_20:HN	1:GLY_22:HN	-1.000    6.000  6.000 10.00 10.00 1000.000 0.00
1:ASP-_20:HA	1:ALA_21:HN	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:ASP-_20:HA	1:GLY_22:HN	-1.000    4.750  4.750 10.00 10.00 1000.000 0.00
1:ALA_21:HB*	1:ALA_21:HN	-1.000    3.033  3.033 10.00 10.00 1000.000 0.00
1:ALA_21:HB*	1:ALA_21:HA	-1.000    3.033  3.033 10.00 10.00 1000.000 0.00
1:ALA_21:HB*	1:GLY_22:HN	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:ALA_21:HB*	1:MET_23:HE*	-1.000    3.393  3.393 10.00 10.00 1000.000 0.00
1:ALA_21:HB*	1:MET_23:HN	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:ALA_21:HB*	1:MET_23:HG1	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:ALA_21:HN	1:ALA_21:HA	-1.000    3.589  3.589 10.00 10.00 1000.000 0.00
1:ALA_21:HN	1:GLY_22:HN	-1.000    3.393  3.393 10.00 10.00 1000.000 0.00
1:ALA_21:HN	1:MET_23:HN	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:ALA_21:HA	1:GLY_22:HN	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:GLY_22:HN	1:GLY_22:HA1	-1.000    3.033  3.033 10.00 10.00 1000.000 0.00
1:GLY_22:HN	1:GLY_22:HA2	-1.000    3.589  3.589 10.00 10.00 1000.000 0.00
1:GLY_22:HN	1:MET_23:HN	-1.000    3.393  3.393 10.00 10.00 1000.000 0.00
1:GLY_22:HA1	1:MET_23:HN	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:GLY_22:HA2	1:MET_23:HN	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:MET_23:HE*	1:MET_23:HG1	-1.000    3.208  3.208 10.00 10.00 1000.000 0.00
1:MET_23:HE*	1:MET_23:HG2	-1.000    3.796  3.796 10.00 10.00 1000.000 0.00
1:MET_23:HE*	1:CYS_35:HBS	-1.000    3.589  3.589 10.00 10.00 1000.000 0.00
1:MET_23:HE*	1:CYS_35:HBR	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:MET_23:HE*	1:PRO_37:HD*	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:MET_23:HE*	1:PRO_37:HA	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:MET_23:HN	1:MET_23:HA	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:MET_23:HN	1:MET_23:HBS	-1.000    3.796  3.796 10.00 10.00 1000.000 0.00
1:MET_23:HN	1:MET_23:HG1	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:MET_23:HN	1:MET_23:HG2	-1.000    4.750  4.750 10.00 10.00 1000.000 0.00
1:MET_23:HN	1:ARG+_24:HN	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:MET_23:HA	1:MET_23:HBS	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:MET_23:HA	1:MET_23:HBR	-1.000    3.796  3.796 10.00 10.00 1000.000 0.00
1:MET_23:HA	1:MET_23:HG1	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:MET_23:HA	1:MET_23:HG2	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:MET_23:HA	1:ARG+_24:HN	-1.000    3.796  3.796 10.00 10.00 1000.000 0.00
1:MET_23:HA	1:PRO_37:HA	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:MET_23:HA	1:LY+C_38:HN	-1.000    4.750  4.750 10.00 10.00 1000.000 0.00
1:MET_23:HBS	1:MET_23:HG1	-1.000    3.796  3.796 10.00 10.00 1000.000 0.00
1:MET_23:HBS	1:ARG+_24:HN	-1.000    3.796  3.796 10.00 10.00 1000.000 0.00
1:MET_23:HBS	1:CYS_35:HBS	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:MET_23:HBS	1:CYS_35:HBR	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:MET_23:HBS	1:PRO_37:HA	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:MET_23:HBR	1:ARG+_24:HN	-1.000    3.208  3.208 10.00 10.00 1000.000 0.00
1:MET_23:HBR	1:CYS_35:HBS	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:MET_23:HBR	1:CYS_35:HBR	-1.000    3.796  3.796 10.00 10.00 1000.000 0.00
1:MET_23:HBR	1:THR_36:HN	-1.000    4.750  4.750 10.00 10.00 1000.000 0.00
1:MET_23:HBR	1:PRO_37:HA	-1.000    3.796  3.796 10.00 10.00 1000.000 0.00
1:MET_23:HG2	1:LY+C_38:HN	-1.000    4.750  4.750 10.00 10.00 1000.000 0.00
1:ARG+_24:HB*	1:ARG+_24:HN	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:ARG+_24:HB*	1:ARG+_24:HA	-1.000    3.589  3.589 10.00 10.00 1000.000 0.00
1:ARG+_24:HB*	1:ARG+_24:HG1	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:ARG+_24:HB*	1:ARG+_24:HD1	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:ARG+_24:HB*	1:ARG+_24:HD2	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:ARG+_24:HB*	1:ARG+_24:HE	-1.000    6.000  6.000 10.00 10.00 1000.000 0.00
1:ARG+_24:HB*	1:PHE_25:HD1	-1.000    4.646  4.246 10.00 10.00 1000.000 0.00
1:ARG+_24:HB*	1:PHE_25:HN	-1.000    3.393  3.393 10.00 10.00 1000.000 0.00
1:ARG+_24:HB*	1:THR_36:HB	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:ARG+_24:HB*	1:LY+C_38:HA	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:ARG+_24:HN	1:ARG+_24:HA	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:ARG+_24:HN	1:ARG+_24:HG1	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:ARG+_24:HN	1:ARG+_24:HG2	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:ARG+_24:HN	1:PHE_25:HN	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:ARG+_24:HN	1:CYS_35:HBR	-1.000    4.500  4.500 10.00 10.00 1000.000 0.00
1:ARG+_24:HN	1:THR_36:HN	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:ARG+_24:HN	1:THR_36:HB	-1.000    4.750  4.750 10.00 10.00 1000.000 0.00
1:ARG+_24:HN	1:PRO_37:HA	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:ARG+_24:HN	1:LY+C_38:HN	-1.000    4.750  4.750 10.00 10.00 1000.000 0.00
1:ARG+_24:HA	1:ARG+_24:HG1	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:ARG+_24:HA	1:ARG+_24:HG2	-1.000    4.750  4.750 10.00 10.00 1000.000 0.00
1:ARG+_24:HA	1:PHE_25:HN	-1.000    4.033  4.033 10.00 10.00 1000.000 0.00
1:ARG+_24:HG1	1:ARG+_24:HD1	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:ARG+_24:HG1	1:ARG+_24:HD2	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:ARG+_24:HG1	1:ARG+_24:HE	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:ARG+_24:HG1	1:PHE_25:HD1	-1.000    5.150  4.750 10.00 10.00 1000.000 0.00
1:ARG+_24:HG1	1:THR_36:HB	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:ARG+_24:HG2	1:ARG+_24:HD1	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:ARG+_24:HG2	1:ARG+_24:HD2	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:ARG+_24:HG2	1:ARG+_24:HE	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:ARG+_24:HG2	1:LY+C_38:HA	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:ARG+_24:HD1	1:ARG+_24:HE	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:ARG+_24:HD1	1:PHE_25:HE1	-1.000    5.150  4.750 10.00 10.00 1000.000 0.00
1:ARG+_24:HD2	1:ARG+_24:HE	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:ARG+_24:HD2	1:LY+C_38:HA	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:ARG+_24:HE	1:THR_36:HG2*	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:ARG+_24:HE	1:LY+C_38:HA	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:PHE_25:HD1	1:PHE_25:HN	-1.000    4.196  3.796 10.00 10.00 1000.000 0.00
1:PHE_25:HD2	1:PHE_25:HA	-1.000    3.793  3.393 10.00 10.00 1000.000 0.00
1:PHE_25:HD1	1:PHE_25:HBR	-1.000    3.793  3.393 10.00 10.00 1000.000 0.00
1:PHE_25:HD1	1:PHE_25:HBS	-1.000    3.989  3.589 10.00 10.00 1000.000 0.00
1:PHE_25:HD2	1:GLY_26:HN	-1.000    4.646  4.246 10.00 10.00 1000.000 0.00
1:PHE_25:HD1	1:THR_36:HG2*	-1.000    3.793  3.393 10.00 10.00 1000.000 0.00
1:PHE_25:HD1	1:THR_36:HB	-1.000    3.989  3.589 10.00 10.00 1000.000 0.00
1:PHE_25:HE1	1:PHE_25:HBS	-1.000    6.400  6.000 10.00 10.00 1000.000 0.00
1:PHE_25:HE1	1:THR_36:HG2*	-1.000    4.414  4.014 10.00 10.00 1000.000 0.00
1:PHE_25:HN	1:PHE_25:HA	-1.000    3.208  3.208 10.00 10.00 1000.000 0.00
1:PHE_25:HN	1:PHE_25:HBR	-1.000    4.750  4.750 10.00 10.00 1000.000 0.00
1:PHE_25:HN	1:PHE_25:HBS	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:PHE_25:HN	1:GLY_26:HN	-1.000    4.500  4.500 10.00 10.00 1000.000 0.00
1:PHE_25:HA	1:PHE_25:HBR	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:PHE_25:HA	1:PHE_25:HBS	-1.000    3.589  3.589 10.00 10.00 1000.000 0.00
1:PHE_25:HA	1:GLY_26:HN	-1.000    3.393  3.393 10.00 10.00 1000.000 0.00
1:PHE_25:HBR	1:GLY_26:HN	-1.000    3.393  3.393 10.00 10.00 1000.000 0.00
1:PHE_25:HBR	1:THR_36:HN	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:PHE_25:HBR	1:THR_36:HB	-1.000    3.796  3.796 10.00 10.00 1000.000 0.00
1:PHE_25:HBS	1:GLY_26:HN	-1.000    3.208  3.208 10.00 10.00 1000.000 0.00
1:PHE_25:HBS	1:THR_36:HB	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:GLY_26:HN	1:GLY_26:HA1	-1.000    3.796  3.796 10.00 10.00 1000.000 0.00
1:GLY_26:HN	1:GLY_26:HA2	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:GLY_26:HN	1:LYS+_27:HN	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:GLY_26:HA1	1:LYS+_27:HN	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:GLY_26:HA1	1:CYS_35:HA	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:GLY_26:HA2	1:LYS+_27:HN	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:GLY_26:HA2	1:CYS_35:HA	-1.000    3.796  3.796 10.00 10.00 1000.000 0.00
1:LYS+_27:HB*	1:LYS+_27:HN	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:LYS+_27:HB*	1:LYS+_27:HA	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:LYS+_27:HB*	1:CYS_28:HN	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:LYS+_27:HN	1:LYS+_27:HA	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:LYS+_27:HN	1:LYS+_27:HG1	-1.000    6.000  6.000 10.00 10.00 1000.000 0.00
1:LYS+_27:HN	1:LYS+_27:HG2	-1.000    6.000  6.000 10.00 10.00 1000.000 0.00
1:LYS+_27:HN	1:HIS+_34:HN	-1.000    3.796  3.796 10.00 10.00 1000.000 0.00
1:LYS+_27:HN	1:HIS+_34:HBR	-1.000    6.000  6.000 10.00 10.00 1000.000 0.00
1:LYS+_27:HN	1:HIS+_34:HBS	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:LYS+_27:HN	1:CYS_35:HA	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:LYS+_27:HA	1:CYS_28:HN	-1.000    3.589  3.589 10.00 10.00 1000.000 0.00
1:CYS_28:HN	1:CYS_28:HBS	-1.000    3.796  3.796 10.00 10.00 1000.000 0.00
1:CYS_28:HN	1:CYS_28:HBR	-1.000    3.589  3.589 10.00 10.00 1000.000 0.00
1:CYS_28:HA	1:CYS_28:HBS	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:CYS_28:HA	1:CYS_28:HBR	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:CYS_28:HA	1:MET_29:HN	-1.000    3.589  3.589 10.00 10.00 1000.000 0.00
1:CYS_28:HA	1:CYS_33:HA	-1.000    3.589  3.589 10.00 10.00 1000.000 0.00
1:MET_29:HN	1:MET_29:HA	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:MET_29:HN	1:MET_29:HBS	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:MET_29:HN	1:MET_29:HBR	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:MET_29:HN	1:LYS+_32:HN	-1.000    4.000  4.000 10.00 10.00 1000.000 0.00
1:MET_29:HN	1:CYS_33:HA	-1.000    4.750  4.750 10.00 10.00 1000.000 0.00
1:MET_29:HN	1:HIS+_34:HD2	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:MET_29:HA	1:MET_29:HBS	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:MET_29:HA	1:MET_29:HBR	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:MET_29:HA	1:ASN_30:HN	-1.000    3.589  3.589 10.00 10.00 1000.000 0.00
1:MET_29:HBS	1:HIS+_34:HD2	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:MET_29:HBR	1:HIS+_34:HD2	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:ASN_30:HN	1:ASN_30:HA	-1.000    3.393  3.393 10.00 10.00 1000.000 0.00
1:ASN_30:HN	1:ASN_30:HBR	-1.000    6.000  6.000 10.00 10.00 1000.000 0.00
1:ASN_30:HN	1:ARG+_31:HN	-1.000    4.214  4.214 10.00 10.00 1000.000 0.00
1:ASN_30:HA	1:ASN_30:HBR	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:ASN_30:HA	1:ASN_30:HBS	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:ASN_30:HA	1:ARG+_31:HN	-1.000    3.393  3.393 10.00 10.00 1000.000 0.00
1:ASN_30:HD22	1:ASN_30:HBR	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:ASN_30:HBS	1:ARG+_31:HN	-1.000    4.750  4.750 10.00 10.00 1000.000 0.00
1:ARG+_31:HG*	1:ARG+_31:HD*	-1.000    3.796  3.796 10.00 10.00 1000.000 0.00
1:ARG+_31:HG*	1:ARG+_31:HN	-1.000    3.589  3.589 10.00 10.00 1000.000 0.00
1:ARG+_31:HG*	1:ARG+_31:HA	-1.000    3.796  3.796 10.00 10.00 1000.000 0.00
1:ARG+_31:HG*	1:LYS+_32:HN	-1.000    6.000  6.000 10.00 10.00 1000.000 0.00
1:ARG+_31:HD*	1:ARG+_31:HA	-1.000    4.750  4.750 10.00 10.00 1000.000 0.00
1:ARG+_31:HD*	1:ARG+_31:HBR	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:ARG+_31:HD*	1:ARG+_31:HBS	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:ARG+_31:HN	1:ARG+_31:HA	-1.000    3.033  3.033 10.00 10.00 1000.000 0.00
1:ARG+_31:HN	1:ARG+_31:HBR	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:ARG+_31:HN	1:ARG+_31:HBS	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:ARG+_31:HN	1:LYS+_32:HN	-1.000    3.589  3.589 10.00 10.00 1000.000 0.00
1:ARG+_31:HA	1:ARG+_31:HBR	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:ARG+_31:HA	1:ARG+_31:HBS	-1.000    3.589  3.589 10.00 10.00 1000.000 0.00
1:ARG+_31:HA	1:LYS+_32:HN	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:ARG+_31:HA	1:LYS+_32:HA	-1.000    4.750  4.750 10.00 10.00 1000.000 0.00
1:LYS+_32:HN	1:LYS+_32:HA	-1.000    3.796  3.796 10.00 10.00 1000.000 0.00
1:LYS+_32:HN	1:LYS+_32:HBR	-1.000    3.796  3.796 10.00 10.00 1000.000 0.00
1:LYS+_32:HN	1:LYS+_32:HBS	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:LYS+_32:HA	1:LYS+_32:HBR	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:LYS+_32:HA	1:LYS+_32:HBS	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:LYS+_32:HA	1:LYS+_32:HG1	-1.000    6.000  6.000 10.00 10.00 1000.000 0.00
1:LYS+_32:HA	1:LYS+_32:HG2	-1.000    6.000  6.000 10.00 10.00 1000.000 0.00
1:LYS+_32:HA	1:CYS_33:HN	-1.000    3.033  3.033 10.00 10.00 1000.000 0.00
1:LYS+_32:HBR	1:CYS_33:HN	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:LYS+_32:HBR	1:HIS+_34:HD2	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:LYS+_32:HBS	1:CYS_33:HN	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:LYS+_32:HBS	1:HIS+_34:HD2	-1.000    4.750  4.750 10.00 10.00 1000.000 0.00
1:CYS_33:HN	1:CYS_33:HA	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:CYS_33:HN	1:CYS_33:HBS	-1.000    3.589  3.589 10.00 10.00 1000.000 0.00
1:CYS_33:HN	1:CYS_33:HBR	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:CYS_33:HA	1:CYS_33:HBS	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:CYS_33:HA	1:CYS_33:HBR	-1.000    3.796  3.796 10.00 10.00 1000.000 0.00
1:CYS_33:HA	1:HIS+_34:HN	-1.000    3.033  3.033 10.00 10.00 1000.000 0.00
1:CYS_33:HA	1:HIS+_34:HBS	-1.000    6.000  6.000 10.00 10.00 1000.000 0.00
1:CYS_33:HBS	1:HIS+_34:HN	-1.000    6.000  6.000 10.00 10.00 1000.000 0.00
1:CYS_33:HBR	1:HIS+_34:HN	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:HIS+_34:HN	1:HIS+_34:HA	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:HIS+_34:HN	1:HIS+_34:HBR	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:HIS+_34:HN	1:HIS+_34:HBS	-1.000    3.796  3.796 10.00 10.00 1000.000 0.00
1:HIS+_34:HN	1:HIS+_34:HD2	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:HIS+_34:HA	1:HIS+_34:HBR	-1.000    3.796  3.796 10.00 10.00 1000.000 0.00
1:HIS+_34:HA	1:HIS+_34:HBS	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:HIS+_34:HA	1:HIS+_34:HD2	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:HIS+_34:HA	1:CYS_35:HN	-1.000    3.208  3.208 10.00 10.00 1000.000 0.00
1:HIS+_34:HBR	1:HIS+_34:HD2	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:HIS+_34:HBR	1:CYS_35:HN	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:HIS+_34:HBS	1:HIS+_34:HD2	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:HIS+_34:HBS	1:CYS_35:HN	-1.000    6.000  6.000 10.00 10.00 1000.000 0.00
1:CYS_35:HN	1:CYS_35:HA	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:CYS_35:HN	1:CYS_35:HBS	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:CYS_35:HN	1:CYS_35:HBR	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:CYS_35:HA	1:CYS_35:HBS	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:CYS_35:HA	1:CYS_35:HBR	-1.000    3.796  3.796 10.00 10.00 1000.000 0.00
1:CYS_35:HA	1:THR_36:HN	-1.000    3.393  3.393 10.00 10.00 1000.000 0.00
1:CYS_35:HBS	1:THR_36:HN	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:CYS_35:HBR	1:THR_36:HN	-1.000    3.796  3.796 10.00 10.00 1000.000 0.00
1:THR_36:HG2*	1:THR_36:HN	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:THR_36:HG2*	1:THR_36:HA	-1.000    3.589  3.589 10.00 10.00 1000.000 0.00
1:THR_36:HG2*	1:THR_36:HB	-1.000    3.208  3.208 10.00 10.00 1000.000 0.00
1:THR_36:HG2*	1:PRO_37:HD*	-1.000    3.393  3.393 10.00 10.00 1000.000 0.00
1:THR_36:HN	1:THR_36:HA	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:THR_36:HN	1:THR_36:HB	-1.000    3.393  3.393 10.00 10.00 1000.000 0.00
1:THR_36:HN	1:PRO_37:HD*	-1.000    4.750  4.750 10.00 10.00 1000.000 0.00
1:THR_36:HA	1:THR_36:HB	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:THR_36:HA	1:PRO_37:HD*	-1.000    2.867  2.867 10.00 10.00 1000.000 0.00
1:PRO_37:HD*	1:PRO_37:HA	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:PRO_37:HD*	1:PRO_37:HBR	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:PRO_37:HD*	1:PRO_37:HBS	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:PRO_37:HD*	1:PRO_37:HG1	-1.000    3.589  3.589 10.00 10.00 1000.000 0.00
1:PRO_37:HD*	1:PRO_37:HG2	-1.000    3.393  3.393 10.00 10.00 1000.000 0.00
1:PRO_37:HD*	1:LY+C_38:HN	-1.000    4.750  4.750 10.00 10.00 1000.000 0.00
1:PRO_37:HA	1:PRO_37:HBR	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:PRO_37:HA	1:PRO_37:HBS	-1.000    3.393  3.393 10.00 10.00 1000.000 0.00
1:PRO_37:HA	1:LY+C_38:HN	-1.000    3.033  3.033 10.00 10.00 1000.000 0.00
1:PRO_37:HBR	1:LY+C_38:HN	-1.000    4.491  4.491 10.00 10.00 1000.000 0.00
1:PRO_37:HBS	1:LY+C_38:HN	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:PRO_37:HG2	1:LY+C_38:HN	-1.000    6.000  6.000 10.00 10.00 1000.000 0.00
1:LY+C_38:HB*	1:LY+C_38:HN	-1.000    3.589  3.589 10.00 10.00 1000.000 0.00
1:LY+C_38:HB*	1:LY+C_38:HA	-1.000    4.014  4.014 10.00 10.00 1000.000 0.00
1:LY+C_38:HG*	1:LY+C_38:HN	-1.000    4.246  4.246 10.00 10.00 1000.000 0.00
1:LY+C_38:HN	1:LY+C_38:HA	-1.000    3.796  3.796 10.00 10.00 1000.000 0.00
!
#NMR_dihedral
1:GLYN_1:CA        1:GLYN_1:C         1:VAL_2:N          1:VAL_2:CA         170.000 -170.000 300.00 300.00 1000.000
1:VAL_2:CA         1:VAL_2:C          1:PRO_3:N          1:PRO_3:CA         170.000 -170.000 300.00 300.00 1000.000
1:PRO_3:CA         1:PRO_3:C          1:ILE_4:N          1:ILE_4:CA         170.000 -170.000 300.00 300.00 1000.000
1:ILE_4:CA         1:ILE_4:C          1:ASN_5:N          1:ASN_5:CA         170.000 -170.000 300.00 300.00 1000.000
1:ASN_5:CA         1:ASN_5:C          1:VAL_6:N          1:VAL_6:CA         170.000 -170.000 300.00 300.00 1000.000
1:VAL_6:CA         1:VAL_6:C          1:SER_7:N          1:SER_7:CA         170.000 -170.000 300.00 300.00 1000.000
1:SER_7:CA         1:SER_7:C          1:CYS_8:N          1:CYS_8:CA         170.000 -170.000 300.00 300.00 1000.000
1:CYS_8:CA         1:CYS_8:C          1:THR_9:N          1:THR_9:CA         170.000 -170.000 300.00 300.00 1000.000
1:THR_9:CA         1:THR_9:C          1:GLY_10:N         1:GLY_10:CA        170.000 -170.000 300.00 300.00 1000.000
1:GLY_10:CA        1:GLY_10:C         1:SER_11:N         1:SER_11:CA        170.000 -170.000 300.00 300.00 1000.000
1:SER_11:CA        1:SER_11:C         1:PRO_12:N         1:PRO_12:CA        170.000 -170.000 300.00 300.00 1000.000
1:PRO_12:CA        1:PRO_12:C         1:GLN_13:N         1:GLN_13:CA        170.000 -170.000 300.00 300.00 1000.000
1:GLN_13:CA        1:GLN_13:C         1:CYS_14:N         1:CYS_14:CA        170.000 -170.000 300.00 300.00 1000.000
1:CYS_14:CA        1:CYS_14:C         1:ILE_15:N         1:ILE_15:CA        170.000 -170.000 300.00 300.00 1000.000
1:ILE_15:CA        1:ILE_15:C         1:LYS+_16:N        1:LYS+_16:CA       170.000 -170.000 300.00 300.00 1000.000
1:LYS+_16:CA       1:LYS+_16:C        1:PRO_17:N         1:PRO_17:CA        170.000 -170.000 300.00 300.00 1000.000
1:PRO_17:CA        1:PRO_17:C         1:CYS_18:N         1:CYS_18:CA        170.000 -170.000 300.00 300.00 1000.000
1:CYS_18:CA        1:CYS_18:C         1:LYS+_19:N        1:LYS+_19:CA       170.000 -170.000 300.00 300.00 1000.000
1:LYS+_19:CA       1:LYS+_19:C        1:ASP-_20:N        1:ASP-_20:CA       170.000 -170.000 300.00 300.00 1000.000
1:ASP-_20:CA       1:ASP-_20:C        1:ALA_21:N         1:ALA_21:CA        170.000 -170.000 300.00 300.00 1000.000
1:ALA_21:CA        1:ALA_21:C         1:GLY_22:N         1:GLY_22:CA        170.000 -170.000 300.00 300.00 1000.000
1:GLY_22:CA        1:GLY_22:C         1:MET_23:N         1:MET_23:CA        170.000 -170.000 300.00 300.00 1000.000
1:MET_23:CA        1:MET_23:C         1:ARG+_24:N        1:ARG+_24:CA       170.000 -170.000 300.00 300.00 1000.000
1:ARG+_24:CA       1:ARG+_24:C        1:PHE_25:N         1:PHE_25:CA        170.000 -170.000 300.00 300.00 1000.000
1:PHE_25:CA        1:PHE_25:C         1:GLY_26:N         1:GLY_26:CA        170.000 -170.000 300.00 300.00 1000.000
1:GLY_26:CA        1:GLY_26:C         1:LYS+_27:N        1:LYS+_27:CA       170.000 -170.000 300.00 300.00 1000.000
1:LYS+_27:CA       1:LYS+_27:C        1:CYS_28:N         1:CYS_28:CA        170.000 -170.000 300.00 300.00 1000.000
1:CYS_28:CA        1:CYS_28:C         1:MET_29:N         1:MET_29:CA        170.000 -170.000 300.00 300.00 1000.000
1:MET_29:CA        1:MET_29:C         1:ASN_30:N         1:ASN_30:CA        170.000 -170.000 300.00 300.00 1000.000
1:ASN_30:CA        1:ASN_30:C         1:ARG+_31:N        1:ARG+_31:CA       170.000 -170.000 300.00 300.00 1000.000
1:ARG+_31:CA       1:ARG+_31:C        1:LYS+_32:N        1:LYS+_32:CA       170.000 -170.000 300.00 300.00 1000.000
1:LYS+_32:CA       1:LYS+_32:C        1:CYS_33:N         1:CYS_33:CA        170.000 -170.000 300.00 300.00 1000.000
1:CYS_33:CA        1:CYS_33:C         1:HIS+_34:N        1:HIS+_34:CA       170.000 -170.000 300.00 300.00 1000.000
1:HIS+_34:CA       1:HIS+_34:C        1:CYS_35:N         1:CYS_35:CA        170.000 -170.000 300.00 300.00 1000.000
1:CYS_35:CA        1:CYS_35:C         1:THR_36:N         1:THR_36:CA        170.000 -170.000 300.00 300.00 1000.000
1:THR_36:CA        1:THR_36:C         1:PRO_37:N         1:PRO_37:CA        170.000 -170.000 300.00 300.00 1000.000
1:PRO_37:CA        1:PRO_37:C         1:LY+C_38:N        1:LY+C_38:CA       170.000 -170.000 300.00 300.00 1000.000
1:ASN_5:N          1:ASN_5:CA         1:ASN_5:CB         1:ASN_5:CG         30.000 90.000 30.00 30.00 1000.000
1:VAL_6:N          1:VAL_6:CA         1:VAL_6:CB         1:VAL_6:CGR        150.000 -150.000 30.00 30.00 1000.000
1:CYS_8:N          1:CYS_8:CA         1:CYS_8:CB         1:CYS_8:SG         -90.000 -30.000 30.00 30.00 1000.000
1:THR_9:N          1:THR_9:CA         1:THR_9:CB         1:THR_9:CG2        30.000 90.000 30.00 30.00 1000.000
1:GLN_13:N         1:GLN_13:CA        1:GLN_13:CB        1:GLN_13:CG        -90.000 -30.000 30.00 30.00 1000.000
1:CYS_14:N         1:CYS_14:CA        1:CYS_14:CB        1:CYS_14:SG        -90.000 -30.000 30.00 30.00 1000.000
1:CYS_18:N         1:CYS_18:CA        1:CYS_18:CB        1:CYS_18:SG        -90.000 -30.000 30.00 30.00 1000.000
1:MET_23:N         1:MET_23:CA        1:MET_23:CB        1:MET_23:CG        -90.000 -30.000 30.00 30.00 1000.000
1:PHE_25:N         1:PHE_25:CA        1:PHE_25:CB        1:PHE_25:CG        -90.000 -30.000 30.00 30.00 1000.000
1:CYS_28:N         1:CYS_28:CA        1:CYS_28:CB        1:CYS_28:SG        150.000 -150.000 30.00 30.00 1000.000
1:MET_29:N         1:MET_29:CA        1:MET_29:CB        1:MET_29:CG        -90.000 -30.000 30.00 30.00 1000.000
1:ASN_30:N         1:ASN_30:CA        1:ASN_30:CB        1:ASN_30:CG        -90.000 -30.000 30.00 30.00 1000.000
1:ARG+_31:N        1:ARG+_31:CA       1:ARG+_31:CB       1:ARG+_31:CG       -90.000 -30.000 30.00 30.00 1000.000
1:LYS+_32:N        1:LYS+_32:CA       1:LYS+_32:CB       1:LYS+_32:CG       -90.000 -30.000 30.00 30.00 1000.000
1:CYS_33:N         1:CYS_33:CA        1:CYS_33:CB        1:CYS_33:SG        -90.000 -30.000 30.00 30.00 1000.000
1:HIS+_34:N        1:HIS+_34:CA       1:HIS+_34:CB       1:HIS+_34:CG       -90.000 -30.000 30.00 30.00 1000.000
1:CYS_35:N         1:CYS_35:CA        1:CYS_35:CB        1:CYS_35:SG        -90.000 -30.000 30.00 30.00 1000.000
!
#3J_dihedral
1:ILE_4:HN         1:ILE_4:N          1:ILE_4:CA         1:ILE_4:HA          8.60  1.00 30.00 30.00 1000.000  135.4 -135.4 !A=6.510, B=-1.760, C=1.600
1:ASN_5:HN         1:ASN_5:N          1:ASN_5:CA         1:ASN_5:HA          6.80  1.00 30.00 30.00 1000.000  122.1   31.1 !A=6.510, B=-1.760, C=1.600
1:VAL_6:HN         1:VAL_6:N          1:VAL_6:CA         1:VAL_6:HA          8.70  1.00 30.00 30.00 1000.000  136.2 -136.2 !A=6.510, B=-1.760, C=1.600
1:SER_7:HN         1:SER_7:N          1:SER_7:CA         1:SER_7:HA          6.40  1.00 30.00 30.00 1000.000  119.3   36.5 !A=6.510, B=-1.760, C=1.600
1:CYS_8:HN         1:CYS_8:N          1:CYS_8:CA         1:CYS_8:HA          8.00  1.00 30.00 30.00 1000.000  130.8 -130.8 !A=6.510, B=-1.760, C=1.600
1:THR_9:HN         1:THR_9:N          1:THR_9:CA         1:THR_9:HA         10.40  1.00 30.00 30.00 1000.000  152.7 -152.7 !A=6.510, B=-1.760, C=1.600
1:GLN_13:HN        1:GLN_13:N         1:GLN_13:CA        1:GLN_13:HA         6.00  1.00 30.00 30.00 1000.000  116.3   41.2 !A=6.510, B=-1.760, C=1.600
1:CYS_14:HN        1:CYS_14:N         1:CYS_14:CA        1:CYS_14:HA         7.50  1.00 30.00 30.00 1000.000  127.2   15.3 !A=6.510, B=-1.760, C=1.600
1:ILE_15:HN        1:ILE_15:N         1:ILE_15:CA        1:ILE_15:HA         4.10  1.00 30.00 30.00 1000.000 -137.1  137.1 !A=6.510, B=-1.760, C=1.600
1:LYS+_16:HN       1:LYS+_16:N        1:LYS+_16:CA       1:LYS+_16:HA        4.60  1.00 30.00 30.00 1000.000 -140.7  140.7 !A=6.510, B=-1.760, C=1.600
1:LYS+_19:HN       1:LYS+_19:N        1:LYS+_19:CA       1:LYS+_19:HA        4.70  1.00 30.00 30.00 1000.000 -141.4  141.4 !A=6.510, B=-1.760, C=1.600
1:ASP-_20:HN       1:ASP-_20:N        1:ASP-_20:CA       1:ASP-_20:HA        3.90  1.00 30.00 30.00 1000.000 -135.6  135.6 !A=6.510, B=-1.760, C=1.600
1:ALA_21:HN        1:ALA_21:N         1:ALA_21:CA        1:ALA_21:HA         7.60  1.00 30.00 30.00 1000.000  127.9 -127.9 !A=6.510, B=-1.760, C=1.600
1:MET_23:HN        1:MET_23:N         1:MET_23:CA        1:MET_23:HA         8.70  1.00 30.00 30.00 1000.000  136.2 -136.2 !A=6.510, B=-1.760, C=1.600
1:ARG+_24:HN       1:ARG+_24:N        1:ARG+_24:CA       1:ARG+_24:HA        8.50  1.00 30.00 30.00 1000.000  134.7 -134.7 !A=6.510, B=-1.760, C=1.600
1:PHE_25:HN        1:PHE_25:N         1:PHE_25:CA        1:PHE_25:HA         7.80  1.00 30.00 30.00 1000.000  129.4 -129.4 !A=6.510, B=-1.760, C=1.600
1:LYS+_27:HN       1:LYS+_27:N        1:LYS+_27:CA       1:LYS+_27:HA        8.90  1.00 30.00 30.00 1000.000  137.8 -137.8 !A=6.510, B=-1.760, C=1.600
1:CYS_28:HN        1:CYS_28:N         1:CYS_28:CA        1:CYS_28:HA         8.80  1.00 30.00 30.00 1000.000  137.0 -137.0 !A=6.510, B=-1.760, C=1.600
1:MET_29:HN        1:MET_29:N         1:MET_29:CA        1:MET_29:HA         9.00  1.00 30.00 30.00 1000.000  138.7 -138.7 !A=6.510, B=-1.760, C=1.600
1:ASN_30:HN        1:ASN_30:N         1:ASN_30:CA        1:ASN_30:HA         7.60  1.00 30.00 30.00 1000.000  127.9 -127.9 !A=6.510, B=-1.760, C=1.600
1:ARG+_31:HN       1:ARG+_31:N        1:ARG+_31:CA       1:ARG+_31:HA        6.90  1.00 30.00 30.00 1000.000  122.8   29.6 !A=6.510, B=-1.760, C=1.600
1:LYS+_32:HN       1:LYS+_32:N        1:LYS+_32:CA       1:LYS+_32:HA        9.10  1.00 30.00 30.00 1000.000  139.5 -139.5 !A=6.510, B=-1.760, C=1.600
1:CYS_33:HN        1:CYS_33:N         1:CYS_33:CA        1:CYS_33:HA         5.20  1.00 30.00 30.00 1000.000 -145.0  145.0 !A=6.510, B=-1.760, C=1.600
1:HIS+_34:HN       1:HIS+_34:N        1:HIS+_34:CA       1:HIS+_34:HA        9.20  1.00 30.00 30.00 1000.000  140.4 -140.4 !A=6.510, B=-1.760, C=1.600
1:THR_36:HN        1:THR_36:N         1:THR_36:CA        1:THR_36:HA         9.20  1.00 30.00 30.00 1000.000  140.4 -140.4 !A=6.510, B=-1.760, C=1.600
1:LY+C_38:HN       1:LY+C_38:N        1:LY+C_38:CA       1:LY+C_38:HA        6.20  1.00 30.00 30.00 1000.000  140.4 -140.4 !A=6.510, B=-1.760, C=1.600

  Entry H atom name         Orig H atom name
  Start of MODEL           1
 Raw file had  289 H/Q atoms
  Start of MODEL    1
    1   1H    GLY   1          1H        GLY   1   5.876  -2.426   3.538
    2   2H    GLY   1          2H        GLY   1   4.306  -2.628   3.064
    3   3H    GLY   1          3H        GLY   1   4.825  -3.271   4.494
    4   1HA   GLY   1          2HA       GLY   1   6.295  -4.827   3.372
    5   2HA   GLY   1          1HA       GLY   1   4.625  -5.057   2.876
    6    H    VAL   2           H        VAL   2   3.970  -4.195   0.821
    7    HA   VAL   2           HA       VAL   2   6.239  -3.642  -1.193
    8    HB   VAL   2           HB       VAL   2   3.613  -5.144  -1.704
    9   1HG1  VAL   2          1HG2      VAL   2   5.864  -4.394  -3.699
   10   2HG1  VAL   2          2HG2      VAL   2   4.498  -5.482  -4.049
   11   3HG1  VAL   2          3HG2      VAL   2   4.197  -3.771  -3.718
   12   1HG2  VAL   2          2HG1      VAL   2   5.356  -6.580  -0.588
   13   2HG2  VAL   2          3HG1      VAL   2   5.089  -7.093  -2.260
   14   3HG2  VAL   2          1HG1      VAL   2   6.542  -6.150  -1.838
   15    HA   PRO   3           HA       PRO   3   3.649   0.259  -1.022
   16   1HB   PRO   3          1HB       PRO   3   5.995   1.421  -2.572
   17   2HB   PRO   3          2HB       PRO   3   5.176   2.038  -1.129
   18   1HG   PRO   3          2HG       PRO   3   7.642   0.849  -0.965
   19   2HG   PRO   3          1HG       PRO   3   6.437   0.590   0.312
   20   1HD   PRO   3          1HD       PRO   3   7.155  -1.300  -1.987
   21   2HD   PRO   3          2HD       PRO   3   6.867  -1.659  -0.259
   22    H    ILE   4           H        ILE   4   2.021   0.389  -2.430
   23    HA   ILE   4           HA       ILE   4   2.516   0.207  -5.454
   24    HB   ILE   4           HB       ILE   4   0.210  -0.364  -5.838
   25   1HG1  ILE   4          2HG1      ILE   4  -0.264  -0.674  -2.812
   26   2HG1  ILE   4          1HG1      ILE   4  -0.852   0.653  -3.800
   27   1HG2  ILE   4          2HG2      ILE   4   1.944  -2.164  -5.613
   28   2HG2  ILE   4          3HG2      ILE   4   1.491  -2.396  -3.907
   29   3HG2  ILE   4          1HG2      ILE   4   0.323  -2.744  -5.203
   30   1HD1  ILE   4          2HD1      ILE   4  -2.240  -0.893  -5.199
   31   2HD1  ILE   4          3HD1      ILE   4  -1.735  -2.264  -4.174
   32   3HD1  ILE   4          1HD1      ILE   4  -2.674  -0.927  -3.475
   33    H    ASN   5           H        ASN   5   1.843   1.821  -6.727
   34    HA   ASN   5           HA       ASN   5   1.515   4.508  -5.439
   35   1HB   ASN   5          1HB       ASN   5   1.859   5.501  -7.611
   36   2HB   ASN   5          2HB       ASN   5   3.125   4.383  -7.167
   37   1HD2  ASN   5          1HD2      ASN   5   2.609   2.327 -10.093
   38   2HD2  ASN   5          2HD2      ASN   5   3.404   2.436  -8.437
   39    H    VAL   6           H        VAL   6  -0.450   4.472  -4.525
   40    HA   VAL   6           HA       VAL   6  -2.891   4.872  -6.306
   41    HB   VAL   6           HB       VAL   6  -2.791   2.861  -3.966
   42   1HG1  VAL   6          3HG2      VAL   6  -4.957   4.125  -3.845
   43   2HG1  VAL   6          1HG2      VAL   6  -5.286   3.760  -5.558
   44   3HG1  VAL   6          2HG2      VAL   6  -5.224   2.453  -4.345
   45   1HG2  VAL   6          1HG1      VAL   6  -3.454   2.402  -6.949
   46   2HG2  VAL   6          2HG1      VAL   6  -2.012   1.815  -6.085
   47   3HG2  VAL   6          3HG1      VAL   6  -3.603   1.182  -5.658
   48    H    SER   7           H        SER   7  -3.579   6.796  -5.759
   49    HA   SER   7           HA       SER   7  -2.570   8.225  -3.386
   50   1HB   SER   7          1HB       SER   7  -3.728  10.222  -4.250
   51   2HB   SER   7          2HB       SER   7  -2.734   9.425  -5.468
   52    HG   SER   7           HG       SER   7  -5.545   9.149  -5.163
   53    H    CYS   8           H        CYS   8  -3.382   8.071  -1.461
   54    HA   CYS   8           HA       CYS   8  -6.230   7.175  -0.962
   55   1HB   CYS   8          1HB       CYS   8  -3.921   7.609   1.055
   56   2HB   CYS   8          2HB       CYS   8  -5.467   6.844   1.404
   57    H    THR   9           H        THR   9  -7.561   7.987   0.499
   58    HA   THR   9           HA       THR   9  -7.237  10.838   1.564
   59    HB   THR   9           HB       THR   9  -9.169  10.715   0.072
   60    HG1  THR   9           HG1      THR   9 -10.580  11.611   1.566
   61   1HG2  THR   9          3HG2      THR   9 -10.499   8.747   2.048
   62   2HG2  THR   9          1HG2      THR   9 -11.299   9.603   0.709
   63   3HG2  THR   9          2HG2      THR   9 -10.050   8.394   0.359
   64    H    GLY  10           H        GLY  10  -8.052   7.465   2.372
   65   1HA   GLY  10          1HA       GLY  10  -6.888   7.840   5.109
   66   2HA   GLY  10          2HA       GLY  10  -8.578   7.306   5.129
   67    H    SER  11           H        SER  11  -7.484   5.491   6.234
   68    HA   SER  11           HA       SER  11  -5.788   3.554   4.792
   69   1HB   SER  11          1HB       SER  11  -7.364   3.184   7.404
   70   2HB   SER  11          2HB       SER  11  -6.260   1.992   6.715
   71    HG   SER  11           HG       SER  11  -5.253   3.349   8.196
   72    HA   PRO  12           HA       PRO  12  -9.847   0.780   4.059
   73   1HB   PRO  12          1HB       PRO  12 -11.758   3.110   3.478
   74   2HB   PRO  12          2HB       PRO  12 -12.135   1.473   4.059
   75   1HG   PRO  12          2HG       PRO  12 -12.053   3.511   5.839
   76   2HG   PRO  12          1HG       PRO  12 -11.278   1.969   6.276
   77   1HD   PRO  12          1HD       PRO  12  -9.932   4.523   5.236
   78   2HD   PRO  12          2HD       PRO  12  -9.431   3.450   6.575
   79    H    GLN  13           H        GLN  13  -8.967   3.654   2.225
   80    HA   GLN  13           HA       GLN  13  -9.948   2.944  -0.414
   81   1HB   GLN  13          1HB       GLN  13  -7.394   4.518   0.335
   82   2HB   GLN  13          2HB       GLN  13  -8.062   4.428  -1.285
   83   1HG   GLN  13          1HG       GLN  13  -9.486   5.694   1.128
   84   2HG   GLN  13          2HG       GLN  13  -8.594   6.547  -0.106
   85   1HE2  GLN  13          1HE2      GLN  13 -11.325   6.371  -2.482
   86   2HE2  GLN  13          2HE2      GLN  13  -9.526   6.697  -2.267
   87    H    CYS  14           H        CYS  14  -6.843   1.988   1.098
   88    HA   CYS  14           HA       CYS  14  -5.789   0.673  -1.341
   89   1HB   CYS  14          1HB       CYS  14  -4.875   0.478   1.599
   90   2HB   CYS  14          2HB       CYS  14  -3.921   0.000   0.177
   91    H    ILE  15           H        ILE  15  -8.036  -0.616   1.004
   92    HA   ILE  15           HA       ILE  15  -7.174  -3.337   1.223
   93    HB   ILE  15           HB       ILE  15 -10.049  -2.255   1.218
   94   1HG1  ILE  15          1HG1      ILE  15  -8.695  -1.058   2.904
   95   2HG1  ILE  15          2HG1      ILE  15  -9.984  -1.986   3.594
   96   1HG2  ILE  15          3HG2      ILE  15  -9.071  -4.927   2.395
   97   2HG2  ILE  15          1HG2      ILE  15 -10.685  -4.214   2.656
   98   3HG2  ILE  15          2HG2      ILE  15 -10.189  -4.704   1.031
   99   1HD1  ILE  15          3HD1      ILE  15  -7.016  -2.860   3.601
  100   2HD1  ILE  15          1HD1      ILE  15  -7.880  -2.108   4.961
  101   3HD1  ILE  15          2HD1      ILE  15  -8.344  -3.732   4.406
  102    H    LYS  16           H        LYS  16  -9.581  -2.140  -1.244
  103    HA   LYS  16           HA       LYS  16  -9.606  -4.709  -2.684
  104   1HB   LYS  16          2HB       LYS  16 -10.818  -1.946  -3.202
  105   2HB   LYS  16          1HB       LYS  16 -10.673  -3.061  -4.525
  106   1HG   LYS  16          1HG       LYS  16 -12.856  -3.327  -3.656
  107   2HG   LYS  16          2HG       LYS  16 -11.980  -4.809  -3.310
  108   1HD   LYS  16          1HD       LYS  16 -11.661  -4.081  -0.921
  109   2HD   LYS  16          2HD       LYS  16 -12.466  -2.552  -1.238
  110   1HE   LYS  16          1HE       LYS  16 -13.795  -5.343  -1.515
  111   2HE   LYS  16          2HE       LYS  16 -13.874  -4.338  -0.072
  112   1HZ   LYS  16          1HZ       LYS  16 -15.012  -2.618  -1.367
  113   2HZ   LYS  16          2HZ       LYS  16 -14.947  -3.546  -2.732
  114   3HZ   LYS  16          3HZ       LYS  16 -15.837  -4.048  -1.433
  115    HA   PRO  17           HA       PRO  17  -6.473  -2.615  -5.956
  116   1HB   PRO  17          1HB       PRO  17  -5.093  -0.775  -3.921
  117   2HB   PRO  17          2HB       PRO  17  -5.184  -0.615  -5.690
  118   1HG   PRO  17          2HG       PRO  17  -6.869   0.841  -4.135
  119   2HG   PRO  17          1HG       PRO  17  -7.512   0.056  -5.595
  120   1HD   PRO  17          2HD       PRO  17  -7.765  -0.863  -2.690
  121   2HD   PRO  17          1HD       PRO  17  -8.991  -0.870  -3.989
  122    H    CYS  18           H        CYS  18  -5.365  -2.982  -2.554
  123    HA   CYS  18           HA       CYS  18  -2.922  -4.529  -3.103
  124   1HB   CYS  18          1HB       CYS  18  -4.733  -4.386  -0.606
  125   2HB   CYS  18          2HB       CYS  18  -3.222  -5.293  -0.666
  126    H    LYS  19           H        LYS  19  -6.216  -5.680  -2.173
  127    HA   LYS  19           HA       LYS  19  -5.737  -8.523  -2.436
  128   1HB   LYS  19          2HB       LYS  19  -7.656  -7.375  -1.258
  129   2HB   LYS  19          1HB       LYS  19  -8.341  -6.917  -2.809
  130   1HG   LYS  19          2HG       LYS  19  -8.686  -9.371  -3.366
  131   2HG   LYS  19          1HG       LYS  19  -7.909  -9.818  -1.854
  132   1HD   LYS  19          1HD       LYS  19 -10.279 -10.004  -1.522
  133   2HD   LYS  19          2HD       LYS  19  -9.721  -8.653  -0.544
  134   1HE   LYS  19          1HE       LYS  19 -10.592  -7.022  -2.305
  135   2HE   LYS  19          2HE       LYS  19 -11.111  -8.386  -3.307
  136   1HZ   LYS  19          3HZ       LYS  19 -12.610  -9.057  -1.498
  137   2HZ   LYS  19          1HZ       LYS  19 -12.116  -7.785  -0.566
  138   3HZ   LYS  19          2HZ       LYS  19 -12.927  -7.509  -1.978
  139    H    ASP  20           H        ASP  20  -7.106  -6.323  -4.919
  140    HA   ASP  20           HA       ASP  20  -7.310  -8.312  -7.060
  141   1HB   ASP  20          1HB       ASP  20  -7.036  -5.238  -7.244
  142   2HB   ASP  20          2HB       ASP  20  -7.360  -6.270  -8.623
  143    H    ALA  21           H        ALA  21  -4.532  -6.224  -6.181
  144    HA   ALA  21           HA       ALA  21  -2.826  -7.010  -8.477
  145   1HB   ALA  21          2HB       ALA  21  -2.354  -4.950  -7.163
  146   2HB   ALA  21          3HB       ALA  21  -2.040  -5.908  -5.696
  147   3HB   ALA  21          1HB       ALA  21  -0.957  -6.045  -7.100
  148    H    GLY  22           H        GLY  22  -2.928  -8.178  -5.085
  149   1HA   GLY  22          1HA       GLY  22  -2.869 -10.861  -5.173
  150   2HA   GLY  22          2HA       GLY  22  -1.241 -10.638  -5.806
  151    H    MET  23           H        MET  23  -3.068  -9.083  -3.151
  152    HA   MET  23           HA       MET  23  -0.985  -9.994  -1.101
  153   1HB   MET  23          1HB       MET  23  -1.936  -7.072  -1.500
  154   2HB   MET  23          2HB       MET  23  -0.990  -7.649  -0.154
  155   1HG   MET  23          2HG       MET  23   0.772  -6.895  -1.350
  156   2HG   MET  23          1HG       MET  23   0.726  -8.481  -2.117
  157   1HE   MET  23          3HE       MET  23   2.238  -6.822  -3.776
  158   2HE   MET  23          2HE       MET  23   1.494  -5.608  -4.864
  159   3HE   MET  23          1HE       MET  23   1.660  -5.264  -3.118
  160    H    ARG  24           H        ARG  24  -1.661  -9.341   1.110
  161    HA   ARG  24           HA       ARG  24  -4.411 -10.514   1.634
  162   1HB   ARG  24          1HB       ARG  24  -2.106  -9.886   3.572
  163   2HB   ARG  24          2HB       ARG  24  -3.666 -10.521   4.067
  164   1HG   ARG  24          1HG       ARG  24  -3.354 -12.581   2.734
  165   2HG   ARG  24          2HG       ARG  24  -1.826 -12.002   2.098
  166   1HD   ARG  24          2HD       ARG  24  -2.388 -12.517   5.096
  167   2HD   ARG  24          1HD       ARG  24  -1.636 -13.679   3.997
  168    HE   ARG  24           HE       ARG  24  -0.045 -11.260   3.830
  169   1HH1  ARG  24          2HH2      ARG  24  -0.800 -13.754   6.247
  170   2HH1  ARG  24          1HH2      ARG  24   0.821 -13.478   7.060
  171   1HH2  ARG  24          1HH1      ARG  24   1.774 -11.028   4.835
  172   2HH2  ARG  24          2HH1      ARG  24   2.178 -12.039   6.312
  173    H    PHE  25           H        PHE  25  -2.609  -7.700   3.010
  174    HA   PHE  25           HA       PHE  25  -5.309  -6.319   3.515
  175   1HB   PHE  25          1HB       PHE  25  -2.732  -6.044   5.197
  176   2HB   PHE  25          2HB       PHE  25  -4.271  -5.301   5.522
  177    HD1  PHE  25           HD2      PHE  25  -6.327  -6.789   6.089
  178    HD2  PHE  25           HD1      PHE  25  -2.308  -8.325   6.008
  179    HE1  PHE  25           HE2      PHE  25  -7.032  -8.740   7.416
  180    HE2  PHE  25           HE1      PHE  25  -3.030 -10.265   7.329
  181    HZ   PHE  25           HZ       PHE  25  -5.389 -10.480   8.036
  182    H    GLY  26           H        GLY  26  -5.146  -4.013   3.793
  183   1HA   GLY  26          2HA       GLY  26  -3.103  -2.573   1.987
  184   2HA   GLY  26          1HA       GLY  26  -4.820  -2.339   1.721
  185    H    LYS  27           H        LYS  27  -2.141  -1.672   3.780
  186    HA   LYS  27           HA       LYS  27  -3.795   0.148   5.622
  187   1HB   LYS  27          1HB       LYS  27  -2.372  -1.610   6.738
  188   2HB   LYS  27          2HB       LYS  27  -0.927  -0.926   6.002
  189   1HG   LYS  27          2HG       LYS  27  -1.380   1.265   7.227
  190   2HG   LYS  27          1HG       LYS  27  -2.821   0.548   7.952
  191   1HD   LYS  27          1HD       LYS  27  -1.386  -1.215   9.064
  192   2HD   LYS  27          2HD       LYS  27   0.057  -0.519   8.314
  193   1HE   LYS  27          1HE       LYS  27  -0.358   1.670   9.542
  194   2HE   LYS  27          2HE       LYS  27  -1.801   0.975  10.295
  195   1HZ   LYS  27          3HZ       LYS  27  -0.372  -0.713  11.334
  196   2HZ   LYS  27          1HZ       LYS  27   0.975  -0.061  10.631
  197   3HZ   LYS  27          2HZ       LYS  27   0.123   0.809  11.747
  198    H    CYS  28           H        CYS  28  -3.798   2.188   4.938
  199    HA   CYS  28           HA       CYS  28  -1.704   3.118   2.958
  200   1HB   CYS  28          1HB       CYS  28  -4.303   3.367   2.577
  201   2HB   CYS  28          2HB       CYS  28  -4.161   4.811   3.581
  202    H    MET  29           H        MET  29  -0.181   4.446   3.445
  203    HA   MET  29           HA       MET  29  -0.113   6.119   5.995
  204   1HB   MET  29          1HB       MET  29   1.980   5.692   3.758
  205   2HB   MET  29          2HB       MET  29   2.210   6.769   5.118
  206   1HG   MET  29          1HG       MET  29   1.834   3.733   5.382
  207   2HG   MET  29          2HG       MET  29   3.353   4.617   5.541
  208   1HE   MET  29          1HE       MET  29   4.160   5.835   7.679
  209   2HE   MET  29          3HE       MET  29   2.982   7.148   7.368
  210   3HE   MET  29          2HE       MET  29   3.089   6.407   8.990
  211    H    ASN  30           H        ASN  30   1.099   8.438   5.116
  212    HA   ASN  30           HA       ASN  30  -1.305   9.986   4.487
  213   1HB   ASN  30          1HB       ASN  30   1.640  10.891   4.594
  214   2HB   ASN  30          2HB       ASN  30   0.291  11.988   4.360
  215   1HD2  ASN  30          1HD2      ASN  30  -0.675  11.923   7.834
  216   2HD2  ASN  30          2HD2      ASN  30  -1.202  12.359   6.125
  217    H    ARG  31           H        ARG  31  -2.185   9.672   2.643
  218    HA   ARG  31           HA       ARG  31  -2.749   9.707   0.397
  219   1HB   ARG  31          1HB       ARG  31  -0.273  11.486  -0.053
  220   2HB   ARG  31          2HB       ARG  31  -1.514  11.154  -1.248
  221   1HG   ARG  31          1HG       ARG  31  -3.282  12.163   0.296
  222   2HG   ARG  31          2HG       ARG  31  -1.998  12.593   1.415
  223   1HD   ARG  31          1HD       ARG  31  -2.462  14.573   0.150
  224   2HD   ARG  31          2HD       ARG  31  -0.884  13.997  -0.400
  225    HE   ARG  31           HE       ARG  31  -3.003  12.914  -2.153
  226   1HH1  ARG  31          2HH2      ARG  31  -1.306  15.967  -1.487
  227   2HH1  ARG  31          1HH2      ARG  31  -1.641  16.541  -3.197
  228   1HH2  ARG  31          1HH1      ARG  31  -3.325  13.667  -4.071
  229   2HH2  ARG  31          2HH1      ARG  31  -2.707  15.324  -4.560
  230    H    LYS  32           H        LYS  32  -0.478   7.598   1.310
  231    HA   LYS  32           HA       LYS  32  -0.196   6.501  -1.535
  232   1HB   LYS  32          1HB       LYS  32   2.244   6.895   0.337
  233   2HB   LYS  32          2HB       LYS  32   2.213   5.816  -1.038
  234   1HG   LYS  32          2HG       LYS  32   3.159   7.553  -2.108
  235   2HG   LYS  32          1HG       LYS  32   1.487   7.924  -2.475
  236   1HD   LYS  32          1HD       LYS  32   1.553   9.550  -0.397
  237   2HD   LYS  32          2HD       LYS  32   3.258   9.180  -0.276
  238   1HE   LYS  32          1HE       LYS  32   3.113  11.263  -1.453
  239   2HE   LYS  32          2HE       LYS  32   3.582  10.077  -2.669
  240   1HZ   LYS  32          1HZ       LYS  32   0.812  11.112  -2.233
  241   2HZ   LYS  32          2HZ       LYS  32   1.823  11.540  -3.466
  242   3HZ   LYS  32          3HZ       LYS  32   1.230  10.001  -3.381
  243    H    CYS  33           H        CYS  33  -0.820   4.531  -1.583
  244    HA   CYS  33           HA       CYS  33  -1.480   2.834   0.664
  245   1HB   CYS  33          1HB       CYS  33  -1.128   2.243  -2.338
  246   2HB   CYS  33          2HB       CYS  33  -1.660   0.996  -1.199
  247    H    HIS  34           H        HIS  34  -0.553   1.153   1.700
  248    HA   HIS  34           HA       HIS  34   2.060  -0.070   0.659
  249   1HB   HIS  34          1HB       HIS  34   1.528   0.748   3.591
  250   2HB   HIS  34          2HB       HIS  34   2.788  -0.363   3.088
  251    HD1  HIS  34           HD1      HIS  34   5.014   0.658   1.900
  252    HD2  HIS  34           HD2      HIS  34   1.854   3.413   2.809
  253    HE1  HIS  34           HE1      HIS  34   5.820   3.084   1.585
  254    HE2  HIS  34           HE2      HIS  34   3.992   4.827   2.107
  255    H    CYS  35           H        CYS  35   1.411  -1.984   0.058
  256    HA   CYS  35           HA       CYS  35  -0.842  -3.474   1.355
  257   1HB   CYS  35          1HB       CYS  35   1.035  -4.330  -0.945
  258   2HB   CYS  35          2HB       CYS  35  -0.439  -5.168  -0.415
  259    H    THR  36           H        THR  36  -0.700  -5.572   2.201
  260    HA   THR  36           HA       THR  36   1.952  -6.346   3.533
  261    HB   THR  36           HB       THR  36  -0.899  -7.208   4.263
  262    HG1  THR  36           HG1      THR  36  -0.480  -5.909   6.056
  263   1HG2  THR  36          3HG2      THR  36   1.770  -7.731   5.736
  264   2HG2  THR  36          1HG2      THR  36   0.142  -8.095   6.364
  265   3HG2  THR  36          2HG2      THR  36   0.755  -8.965   4.943
  266    HA   PRO  37           HA       PRO  37   1.560  -9.131  -0.159
  267   1HB   PRO  37          1HB       PRO  37   4.082 -10.409  -0.053
  268   2HB   PRO  37          2HB       PRO  37   3.749  -8.812  -0.729
  269   1HG   PRO  37          2HG       PRO  37   4.720  -9.474   2.101
  270   2HG   PRO  37          1HG       PRO  37   5.406  -8.286   0.969
  271   1HD   PRO  37          1HD       PRO  37   3.717  -7.456   2.914
  272   2HD   PRO  37          2HD       PRO  37   3.510  -6.769   1.270
  273    H    LYS  38           H        LYS  38   1.030 -11.134  -0.681
  274    HA   LYS  38           HA       LYS  38   0.188 -12.976   1.539
  275   1HB   LYS  38          1HB       LYS  38  -1.311 -12.191  -0.371
  276   2HB   LYS  38          2HB       LYS  38  -0.349 -13.132  -1.501
  277   1HG   LYS  38          1HG       LYS  38  -0.980 -15.232  -0.162
  278   2HG   LYS  38          2HG       LYS  38  -1.978 -14.237   0.888
  279   1HD   LYS  38          1HD       LYS  38  -2.346 -14.636  -2.150
  280   2HD   LYS  38          2HD       LYS  38  -3.276 -15.442  -0.907
  281   1HE   LYS  38          1HE       LYS  38  -3.339 -12.395  -1.475
  282   2HE   LYS  38          2HE       LYS  38  -4.519 -13.572  -2.034
  283   1HZ   LYS  38          2HZ       LYS  38  -5.093 -14.053   0.284
  284   2HZ   LYS  38          3HZ       LYS  38  -3.987 -12.953   0.828
  285   3HZ   LYS  38          1HZ       LYS  38  -5.290 -12.447  -0.051
   
  No H/Q in entry =         285
  Start of MODEL           2
 Raw file had  289 H/Q atoms
  Start of MODEL    2
    1   1H    GLY   1          2H        GLY   1   5.769  -4.646   4.116
    2   2H    GLY   1          3H        GLY   1   4.426  -4.236   4.984
    3   3H    GLY   1          1H        GLY   1   4.266  -4.908   3.484
    4   1HA   GLY   1          1HA       GLY   1   3.817  -2.499   3.421
    5   2HA   GLY   1          2HA       GLY   1   5.426  -2.226   4.084
    6    H    VAL   2           H        VAL   2   3.621  -2.990   1.267
    7    HA   VAL   2           HA       VAL   2   6.138  -3.004  -0.512
    8    HB   VAL   2           HB       VAL   2   3.512  -4.528  -0.957
    9   1HG1  VAL   2          1HG2      VAL   2   5.935  -4.251  -2.866
   10   2HG1  VAL   2          2HG2      VAL   2   4.577  -5.385  -3.083
   11   3HG1  VAL   2          3HG2      VAL   2   4.289  -3.642  -3.162
   12   1HG2  VAL   2          2HG1      VAL   2   5.159  -5.681   0.602
   13   2HG2  VAL   2          3HG1      VAL   2   4.954  -6.565  -0.918
   14   3HG2  VAL   2          1HG1      VAL   2   6.414  -5.577  -0.648
   15    HA   PRO   3           HA       PRO   3   3.883   0.984  -1.345
   16   1HB   PRO   3          1HB       PRO   3   6.283   1.488  -3.162
   17   2HB   PRO   3          2HB       PRO   3   5.535   2.552  -1.960
   18   1HG   PRO   3          1HG       PRO   3   7.876   1.240  -1.421
   19   2HG   PRO   3          2HG       PRO   3   6.652   1.434  -0.152
   20   1HD   PRO   3          1HD       PRO   3   7.237  -1.055  -1.825
   21   2HD   PRO   3          2HD       PRO   3   6.843  -0.910  -0.084
   22    H    ILE   4           H        ILE   4   2.201   0.901  -2.644
   23    HA   ILE   4           HA       ILE   4   2.540   0.342  -5.643
   24    HB   ILE   4           HB       ILE   4   0.227  -0.318  -5.863
   25   1HG1  ILE   4          2HG1      ILE   4  -0.097  -0.472  -2.806
   26   2HG1  ILE   4          1HG1      ILE   4  -0.721   0.829  -3.805
   27   1HG2  ILE   4          2HG2      ILE   4   2.014  -2.054  -5.600
   28   2HG2  ILE   4          3HG2      ILE   4   1.671  -2.159  -3.858
   29   3HG2  ILE   4          1HG2      ILE   4   0.438  -2.641  -5.048
   30   1HD1  ILE   4          2HD1      ILE   4  -2.185  -0.739  -5.094
   31   2HD1  ILE   4          3HD1      ILE   4  -1.634  -2.092  -4.071
   32   3HD1  ILE   4          1HD1      ILE   4  -2.534  -0.740  -3.351
   33    H    ASN   5           H        ASN   5   1.708   1.814  -7.020
   34    HA   ASN   5           HA       ASN   5   1.457   4.592  -5.961
   35   1HB   ASN   5          1HB       ASN   5   1.588   5.379  -8.215
   36   2HB   ASN   5          2HB       ASN   5   2.868   4.239  -7.852
   37   1HD2  ASN   5          1HD2      ASN   5   1.713   3.500 -11.321
   38   2HD2  ASN   5          2HD2      ASN   5   2.393   4.954 -10.422
   39    H    VAL   6           H        VAL   6  -0.420   4.477  -4.799
   40    HA   VAL   6           HA       VAL   6  -3.002   4.958  -6.333
   41    HB   VAL   6           HB       VAL   6  -2.774   2.891  -4.048
   42   1HG1  VAL   6          3HG2      VAL   6  -4.897   4.213  -3.779
   43   2HG1  VAL   6          1HG2      VAL   6  -5.342   3.867  -5.470
   44   3HG1  VAL   6          2HG2      VAL   6  -5.237   2.550  -4.271
   45   1HG2  VAL   6          1HG1      VAL   6  -3.640   2.491  -6.987
   46   2HG2  VAL   6          2HG1      VAL   6  -2.157   1.861  -6.227
   47   3HG2  VAL   6          3HG1      VAL   6  -3.731   1.257  -5.704
   48    H    SER   7           H        SER   7  -3.511   6.901  -5.681
   49    HA   SER   7           HA       SER   7  -2.395   8.139  -3.212
   50   1HB   SER   7          1HB       SER   7  -3.435  10.250  -3.956
   51   2HB   SER   7          2HB       SER   7  -2.464   9.495  -5.219
   52    HG   SER   7           HG       SER   7  -4.456  10.247  -5.979
   53    H    CYS   8           H        CYS   8  -3.289   8.024  -1.307
   54    HA   CYS   8           HA       CYS   8  -6.014   6.852  -0.933
   55   1HB   CYS   8          1HB       CYS   8  -4.018   7.751   1.249
   56   2HB   CYS   8          2HB       CYS   8  -5.419   6.681   1.453
   57    H    THR   9           H        THR   9  -7.594   7.532   0.356
   58    HA   THR   9           HA       THR   9  -7.565  10.223   1.738
   59    HB   THR   9           HB       THR   9  -8.674  10.841  -0.296
   60    HG1  THR   9           HG1      THR   9 -10.486  10.492   1.839
   61   1HG2  THR   9          2HG2      THR   9  -9.686   8.732  -1.175
   62   2HG2  THR   9          3HG2      THR   9 -10.860   8.712   0.167
   63   3HG2  THR   9          1HG2      THR   9 -10.892  10.026  -1.031
   64    H    GLY  10           H        GLY  10  -6.872   8.503   3.193
   65   1HA   GLY  10          1HA       GLY  10  -7.671   7.551   5.388
   66   2HA   GLY  10          2HA       GLY  10  -9.181   7.066   4.637
   67    H    SER  11           H        SER  11  -7.471   5.397   6.083
   68    HA   SER  11           HA       SER  11  -5.868   3.570   4.434
   69   1HB   SER  11          1HB       SER  11  -7.175   3.076   7.170
   70   2HB   SER  11          2HB       SER  11  -6.081   1.953   6.360
   71    HG   SER  11           HG       SER  11  -5.502   4.648   7.004
   72    HA   PRO  12           HA       PRO  12  -9.897   0.652   3.970
   73   1HB   PRO  12          1HB       PRO  12 -11.863   2.969   3.567
   74   2HB   PRO  12          2HB       PRO  12 -12.190   1.307   4.109
   75   1HG   PRO  12          2HG       PRO  12 -12.030   3.275   5.959
   76   2HG   PRO  12          1HG       PRO  12 -11.205   1.732   6.291
   77   1HD   PRO  12          2HD       PRO  12  -9.972   4.347   5.274
   78   2HD   PRO  12          1HD       PRO  12  -9.362   3.235   6.535
   79    H    GLN  13           H        GLN  13  -9.232   3.626   2.193
   80    HA   GLN  13           HA       GLN  13 -10.188   2.871  -0.463
   81   1HB   GLN  13          1HB       GLN  13  -7.835   4.705   0.359
   82   2HB   GLN  13          2HB       GLN  13  -8.431   4.570  -1.278
   83   1HG   GLN  13          2HG       GLN  13 -10.052   5.628   1.107
   84   2HG   GLN  13          1HG       GLN  13  -9.270   6.588  -0.119
   85   1HE2  GLN  13          1HE2      GLN  13 -11.920   6.009  -2.541
   86   2HE2  GLN  13          2HE2      GLN  13 -10.154   6.488  -2.351
   87    H    CYS  14           H        CYS  14  -7.020   2.181   1.067
   88    HA   CYS  14           HA       CYS  14  -5.835   0.914  -1.339
   89   1HB   CYS  14          1HB       CYS  14  -5.025   0.758   1.634
   90   2HB   CYS  14          2HB       CYS  14  -4.014   0.256   0.265
   91    H    ILE  15           H        ILE  15  -8.036  -0.452   1.040
   92    HA   ILE  15           HA       ILE  15  -7.105  -3.142   1.244
   93    HB   ILE  15           HB       ILE  15  -9.988  -2.103   1.301
   94   1HG1  ILE  15          1HG1      ILE  15  -8.541  -0.983   2.994
   95   2HG1  ILE  15          2HG1      ILE  15  -9.879  -1.864   3.659
   96   1HG2  ILE  15          3HG2      ILE  15  -9.009  -4.818   2.361
   97   2HG2  ILE  15          1HG2      ILE  15 -10.605  -4.100   2.699
   98   3HG2  ILE  15          2HG2      ILE  15 -10.165  -4.534   1.041
   99   1HD1  ILE  15          3HD1      ILE  15  -6.965  -2.892   3.658
  100   2HD1  ILE  15          1HD1      ILE  15  -7.782  -2.107   5.026
  101   3HD1  ILE  15          2HD1      ILE  15  -8.339  -3.696   4.452
  102    H    LYS  16           H        LYS  16  -9.600  -2.064  -1.177
  103    HA   LYS  16           HA       LYS  16  -9.553  -4.652  -2.565
  104   1HB   LYS  16          2HB       LYS  16 -11.550  -3.274  -2.625
  105   2HB   LYS  16          1HB       LYS  16 -10.738  -1.971  -3.451
  106   1HG   LYS  16          1HG       LYS  16 -12.131  -3.163  -5.023
  107   2HG   LYS  16          2HG       LYS  16 -10.457  -3.373  -5.499
  108   1HD   LYS  16          1HD       LYS  16 -10.459  -5.687  -4.433
  109   2HD   LYS  16          2HD       LYS  16 -12.143  -5.488  -3.982
  110   1HE   LYS  16          1HE       LYS  16 -11.065  -5.451  -6.892
  111   2HE   LYS  16          2HE       LYS  16 -11.703  -6.878  -6.081
  112   1HZ   LYS  16          1HZ       LYS  16 -13.854  -5.754  -5.864
  113   2HZ   LYS  16          2HZ       LYS  16 -13.273  -4.407  -6.624
  114   3HZ   LYS  16          3HZ       LYS  16 -13.389  -5.836  -7.448
  115    HA   PRO  17           HA       PRO  17  -6.486  -2.573  -5.955
  116   1HB   PRO  17          1HB       PRO  17  -5.086  -0.740  -3.929
  117   2HB   PRO  17          2HB       PRO  17  -5.179  -0.589  -5.698
  118   1HG   PRO  17          2HG       PRO  17  -6.856   0.883  -4.144
  119   2HG   PRO  17          1HG       PRO  17  -7.498   0.101  -5.608
  120   1HD   PRO  17          1HD       PRO  17  -7.793  -0.797  -2.705
  121   2HD   PRO  17          2HD       PRO  17  -8.990  -0.824  -4.031
  122    H    CYS  18           H        CYS  18  -5.297  -2.866  -2.573
  123    HA   CYS  18           HA       CYS  18  -2.911  -4.482  -3.121
  124   1HB   CYS  18          1HB       CYS  18  -4.688  -4.226  -0.606
  125   2HB   CYS  18          2HB       CYS  18  -3.206  -5.181  -0.655
  126    H    LYS  19           H        LYS  19  -6.243  -5.545  -2.200
  127    HA   LYS  19           HA       LYS  19  -5.688  -8.387  -2.266
  128   1HB   LYS  19          1HB       LYS  19  -7.680  -7.144  -1.157
  129   2HB   LYS  19          2HB       LYS  19  -8.417  -7.038  -2.739
  130   1HG   LYS  19          1HG       LYS  19  -9.433  -8.865  -1.599
  131   2HG   LYS  19          2HG       LYS  19  -8.442  -9.598  -2.850
  132   1HD   LYS  19          1HD       LYS  19  -6.662 -10.141  -1.152
  133   2HD   LYS  19          2HD       LYS  19  -7.570  -9.294   0.106
  134   1HE   LYS  19          1HE       LYS  19  -9.477 -10.967  -0.172
  135   2HE   LYS  19          2HE       LYS  19  -8.536 -11.816  -1.410
  136   1HZ   LYS  19          3HZ       LYS  19  -6.810 -12.225   0.271
  137   2HZ   LYS  19          1HZ       LYS  19  -7.687 -11.432   1.423
  138   3HZ   LYS  19          2HZ       LYS  19  -8.264 -12.834   0.766
  139    H    ASP  20           H        ASP  20  -7.194  -6.397  -4.875
  140    HA   ASP  20           HA       ASP  20  -7.248  -8.600  -6.825
  141   1HB   ASP  20          1HB       ASP  20  -7.802  -6.960  -8.540
  142   2HB   ASP  20          2HB       ASP  20  -8.796  -6.797  -7.121
  143    H    ALA  21           H        ALA  21  -4.628  -6.281  -6.115
  144    HA   ALA  21           HA       ALA  21  -2.922  -7.049  -8.401
  145   1HB   ALA  21          2HB       ALA  21  -2.510  -4.962  -7.116
  146   2HB   ALA  21          3HB       ALA  21  -2.131  -5.891  -5.645
  147   3HB   ALA  21          1HB       ALA  21  -1.071  -6.000  -7.069
  148    H    GLY  22           H        GLY  22  -2.836  -8.150  -4.978
  149   1HA   GLY  22          2HA       GLY  22  -2.765 -10.859  -5.119
  150   2HA   GLY  22          1HA       GLY  22  -1.132 -10.579  -5.714
  151    H    MET  23           H        MET  23  -3.025  -9.078  -3.075
  152    HA   MET  23           HA       MET  23  -1.000 -10.029  -0.988
  153   1HB   MET  23          1HB       MET  23  -1.898  -7.089  -1.419
  154   2HB   MET  23          2HB       MET  23  -1.015  -7.670  -0.031
  155   1HG   MET  23          2HG       MET  23   0.816  -6.978  -1.142
  156   2HG   MET  23          1HG       MET  23   0.756  -8.548  -1.937
  157   1HE   MET  23          3HE       MET  23   2.359  -7.082  -3.645
  158   2HE   MET  23          2HE       MET  23   1.742  -5.719  -4.632
  159   3HE   MET  23          1HE       MET  23   1.964  -5.520  -2.869
  160    H    ARG  24           H        ARG  24  -1.737  -9.318   1.222
  161    HA   ARG  24           HA       ARG  24  -4.518 -10.460   1.670
  162   1HB   ARG  24          1HB       ARG  24  -2.270  -9.840   3.678
  163   2HB   ARG  24          2HB       ARG  24  -3.856 -10.445   4.126
  164   1HG   ARG  24          2HG       ARG  24  -3.525 -12.529   2.829
  165   2HG   ARG  24          1HG       ARG  24  -1.969 -11.974   2.239
  166   1HD   ARG  24          1HD       ARG  24  -2.629 -12.453   5.222
  167   2HD   ARG  24          2HD       ARG  24  -1.853 -13.630   4.156
  168    HE   ARG  24           HE       ARG  24  -0.264 -11.187   4.045
  169   1HH1  ARG  24          2HH2      ARG  24  -1.028 -13.783   6.353
  170   2HH1  ARG  24          1HH2      ARG  24   0.581 -13.525   7.198
  171   1HH2  ARG  24          1HH1      ARG  24   1.538 -10.980   5.084
  172   2HH2  ARG  24          2HH1      ARG  24   1.933 -12.045   6.525
  173    H    PHE  25           H        PHE  25  -2.711  -7.676   3.095
  174    HA   PHE  25           HA       PHE  25  -5.389  -6.219   3.460
  175   1HB   PHE  25          1HB       PHE  25  -2.834  -5.894   5.166
  176   2HB   PHE  25          2HB       PHE  25  -4.367  -5.116   5.432
  177    HD1  PHE  25           HD2      PHE  25  -6.447  -6.534   6.055
  178    HD2  PHE  25           HD1      PHE  25  -2.458  -8.152   6.075
  179    HE1  PHE  25           HE2      PHE  25  -7.199  -8.411   7.460
  180    HE2  PHE  25           HE1      PHE  25  -3.229 -10.017   7.474
  181    HZ   PHE  25           HZ       PHE  25  -5.597 -10.156   8.169
  182    H    GLY  26           H        GLY  26  -5.221  -3.925   3.602
  183   1HA   GLY  26          2HA       GLY  26  -3.085  -2.567   1.842
  184   2HA   GLY  26          1HA       GLY  26  -4.785  -2.301   1.506
  185    H    LYS  27           H        LYS  27  -2.173  -1.663   3.645
  186    HA   LYS  27           HA       LYS  27  -3.871   0.174   5.442
  187   1HB   LYS  27          1HB       LYS  27  -1.175  -1.225   5.975
  188   2HB   LYS  27          2HB       LYS  27  -1.839   0.026   7.012
  189   1HG   LYS  27          1HG       LYS  27  -3.840  -1.294   7.538
  190   2HG   LYS  27          2HG       LYS  27  -3.412  -2.560   6.402
  191   1HD   LYS  27          1HD       LYS  27  -1.687  -1.820   8.856
  192   2HD   LYS  27          2HD       LYS  27  -2.960  -3.036   8.871
  193   1HE   LYS  27          1HE       LYS  27  -1.768  -4.360   7.068
  194   2HE   LYS  27          2HE       LYS  27  -0.455  -3.174   7.057
  195   1HZ   LYS  27          2HZ       LYS  27  -1.261  -4.813   9.410
  196   2HZ   LYS  27          3HZ       LYS  27   0.072  -5.056   8.467
  197   3HZ   LYS  27          1HZ       LYS  27  -0.040  -3.701   9.405
  198    H    CYS  28           H        CYS  28  -3.652   2.234   5.036
  199    HA   CYS  28           HA       CYS  28  -1.515   3.149   3.107
  200   1HB   CYS  28          1HB       CYS  28  -4.009   3.519   2.662
  201   2HB   CYS  28          2HB       CYS  28  -3.979   4.784   3.901
  202    H    MET  29           H        MET  29   0.023   4.485   3.562
  203    HA   MET  29           HA       MET  29   0.193   6.048   6.191
  204   1HB   MET  29          1HB       MET  29   2.304   5.613   3.978
  205   2HB   MET  29          2HB       MET  29   2.551   6.559   5.436
  206   1HG   MET  29          1HG       MET  29   2.001   3.536   5.441
  207   2HG   MET  29          2HG       MET  29   3.568   4.324   5.679
  208   1HE   MET  29          1HE       MET  29   3.723   2.864   7.981
  209   2HE   MET  29          3HE       MET  29   2.509   2.977   9.291
  210   3HE   MET  29          2HE       MET  29   2.067   2.226   7.730
  211    H    ASN  30           H        ASN  30   1.680   8.274   5.084
  212    HA   ASN  30           HA       ASN  30  -0.626  10.041   4.714
  213   1HB   ASN  30          1HB       ASN  30   2.382  10.658   4.400
  214   2HB   ASN  30          2HB       ASN  30   1.118  11.867   4.326
  215   1HD2  ASN  30          1HD2      ASN  30   2.298  10.778   8.016
  216   2HD2  ASN  30          2HD2      ASN  30   3.110  10.130   6.497
  217    H    ARG  31           H        ARG  31  -1.768   9.739   3.008
  218    HA   ARG  31           HA       ARG  31  -2.596   9.619   0.838
  219   1HB   ARG  31          1HB       ARG  31  -0.212  11.385   0.010
  220   2HB   ARG  31          2HB       ARG  31  -1.656  11.096  -0.944
  221   1HG   ARG  31          1HG       ARG  31  -1.596  12.589   1.737
  222   2HG   ARG  31          2HG       ARG  31  -1.653  13.309   0.136
  223   1HD   ARG  31          1HD       ARG  31  -3.903  12.196  -0.295
  224   2HD   ARG  31          2HD       ARG  31  -3.862  11.516   1.344
  225    HE   ARG  31           HE       ARG  31  -3.491  14.397   1.578
  226   1HH1  ARG  31          2HH2      ARG  31  -6.057  12.099   0.689
  227   2HH1  ARG  31          1HH2      ARG  31  -7.336  13.296   1.238
  228   1HH2  ARG  31          1HH1      ARG  31  -5.030  15.677   2.170
  229   2HH2  ARG  31          2HH1      ARG  31  -6.791  15.183   2.018
  230    H    LYS  32           H        LYS  32  -0.398   7.516   1.579
  231    HA   LYS  32           HA       LYS  32   0.028   6.506  -1.303
  232   1HB   LYS  32          1HB       LYS  32   2.203   6.705   0.891
  233   2HB   LYS  32          2HB       LYS  32   2.364   5.752  -0.581
  234   1HG   LYS  32          1HG       LYS  32   2.087   7.813  -1.993
  235   2HG   LYS  32          2HG       LYS  32   1.973   8.800  -0.533
  236   1HD   LYS  32          1HD       LYS  32   4.272   8.034   0.182
  237   2HD   LYS  32          2HD       LYS  32   4.395   7.029  -1.269
  238   1HE   LYS  32          1HE       LYS  32   4.197   9.106  -2.726
  239   2HE   LYS  32          2HE       LYS  32   4.072  10.112  -1.276
  240   1HZ   LYS  32          1HZ       LYS  32   6.407   8.394  -1.969
  241   2HZ   LYS  32          2HZ       LYS  32   6.337  10.039  -2.114
  242   3HZ   LYS  32          3HZ       LYS  32   6.292   9.338  -0.619
  243    H    CYS  33           H        CYS  33  -0.748   4.557  -1.491
  244    HA   CYS  33           HA       CYS  33  -1.542   2.784   0.697
  245   1HB   CYS  33          1HB       CYS  33  -1.244   2.341  -2.339
  246   2HB   CYS  33          2HB       CYS  33  -1.855   1.081  -1.253
  247    H    HIS  34           H        HIS  34  -0.518   1.167   1.740
  248    HA   HIS  34           HA       HIS  34   2.006  -0.110   0.535
  249   1HB   HIS  34          1HB       HIS  34   1.645   0.706   3.490
  250   2HB   HIS  34          2HB       HIS  34   2.912  -0.346   2.885
  251    HD1  HIS  34           HD1      HIS  34   4.876   0.796   1.254
  252    HD2  HIS  34           HD2      HIS  34   1.892   3.370   2.950
  253    HE1  HIS  34           HE1      HIS  34   5.550   3.269   0.968
  254    HE2  HIS  34           HE2      HIS  34   3.821   4.902   1.953
  255    H    CYS  35           H        CYS  35   1.441  -2.070   0.059
  256    HA   CYS  35           HA       CYS  35  -0.831  -3.501   1.372
  257   1HB   CYS  35          1HB       CYS  35   1.046  -4.445  -0.891
  258   2HB   CYS  35          2HB       CYS  35  -0.480  -5.201  -0.383
  259    H    THR  36           H        THR  36  -0.752  -5.547   2.319
  260    HA   THR  36           HA       THR  36   1.876  -6.356   3.668
  261    HB   THR  36           HB       THR  36  -1.000  -7.143   4.386
  262    HG1  THR  36           HG1      THR  36  -0.564  -5.803   6.149
  263   1HG2  THR  36          3HG2      THR  36   1.640  -7.684   5.904
  264   2HG2  THR  36          1HG2      THR  36  -0.002  -7.991   6.525
  265   3HG2  THR  36          2HG2      THR  36   0.606  -8.917   5.137
  266    HA   PRO  37           HA       PRO  37   1.465  -9.222   0.067
  267   1HB   PRO  37          1HB       PRO  37   3.983 -10.485   0.145
  268   2HB   PRO  37          2HB       PRO  37   3.646  -8.883  -0.516
  269   1HG   PRO  37          1HG       PRO  37   4.670  -9.568   2.286
  270   2HG   PRO  37          2HG       PRO  37   5.310  -8.350   1.154
  271   1HD   PRO  37          1HD       PRO  37   3.636  -7.609   3.176
  272   2HD   PRO  37          2HD       PRO  37   3.445  -6.850   1.564
  273    H    LYS  38           H        LYS  38   0.935 -11.225  -0.435
  274    HA   LYS  38           HA       LYS  38   0.088 -13.032   1.810
  275   1HB   LYS  38          1HB       LYS  38  -1.408 -12.250  -0.102
  276   2HB   LYS  38          2HB       LYS  38  -0.473 -13.224  -1.223
  277   1HG   LYS  38          1HG       LYS  38  -1.123 -15.299   0.092
  278   2HG   LYS  38          2HG       LYS  38  -2.041 -14.312   1.219
  279   1HD   LYS  38          1HD       LYS  38  -2.608 -14.555  -1.810
  280   2HD   LYS  38          2HD       LYS  38  -3.419 -15.478  -0.551
  281   1HE   LYS  38          1HE       LYS  38  -4.342 -13.324   0.454
  282   2HE   LYS  38          2HE       LYS  38  -3.564 -12.398  -0.836
  283   1HZ   LYS  38          2HZ       LYS  38  -4.889 -13.633  -2.462
  284   2HZ   LYS  38          3HZ       LYS  38  -5.627 -14.498  -1.262
  285   3HZ   LYS  38          1HZ       LYS  38  -5.863 -12.867  -1.367
   
  No H/Q in entry =         285
  Start of MODEL           3
 Raw file had  289 H/Q atoms
  Start of MODEL    3
    1   1H    GLY   1          3H        GLY   1   2.852  -2.166   4.492
    2   2H    GLY   1          1H        GLY   1   2.235  -3.242   3.402
    3   3H    GLY   1          2H        GLY   1   2.341  -3.652   5.000
    4   1HA   GLY   1          2HA       GLY   1   4.755  -3.626   4.947
    5   2HA   GLY   1          1HA       GLY   1   4.102  -4.787   3.799
    6    H    VAL   2           H        VAL   2   4.435  -4.436   1.631
    7    HA   VAL   2           HA       VAL   2   6.579  -2.518   0.882
    8    HB   VAL   2           HB       VAL   2   6.566  -3.537  -1.379
    9   1HG1  VAL   2          3HG2      VAL   2   8.022  -4.465   0.414
   10   2HG1  VAL   2          1HG2      VAL   2   6.754  -5.625   0.876
   11   3HG1  VAL   2          2HG2      VAL   2   7.516  -5.723  -0.731
   12   1HG2  VAL   2          2HG1      VAL   2   4.177  -4.249  -1.661
   13   2HG2  VAL   2          3HG1      VAL   2   5.286  -5.608  -1.909
   14   3HG2  VAL   2          1HG1      VAL   2   4.368  -5.475  -0.391
   15    HA   PRO   3           HA       PRO   3   3.728   0.680  -0.586
   16   1HB   PRO   3          1HB       PRO   3   5.434   2.352  -2.021
   17   2HB   PRO   3          2HB       PRO   3   5.431   2.188  -0.267
   18   1HG   PRO   3          1HG       PRO   3   7.281   0.794  -2.260
   19   2HG   PRO   3          2HG       PRO   3   7.729   1.646  -0.760
   20   1HD   PRO   3          1HD       PRO   3   7.469  -1.105  -0.852
   21   2HD   PRO   3          2HD       PRO   3   7.010  -0.189   0.616
   22    H    ILE   4           H        ILE   4   2.281   0.820  -2.122
   23    HA   ILE   4           HA       ILE   4   2.983   0.299  -5.056
   24    HB   ILE   4           HB       ILE   4   0.779  -0.453  -5.611
   25   1HG1  ILE   4          1HG1      ILE   4  -0.031  -0.692  -2.652
   26   2HG1  ILE   4          2HG1      ILE   4  -0.520   0.627  -3.700
   27   1HG2  ILE   4          2HG2      ILE   4   2.555  -2.141  -5.092
   28   2HG2  ILE   4          3HG2      ILE   4   1.945  -2.287  -3.427
   29   3HG2  ILE   4          1HG2      ILE   4   0.930  -2.782  -4.803
   30   1HD1  ILE   4          2HD1      ILE   4  -1.687  -0.935  -5.275
   31   2HD1  ILE   4          3HD1      ILE   4  -1.298  -2.301  -4.197
   32   3HD1  ILE   4          1HD1      ILE   4  -2.344  -0.982  -3.624
   33    H    ASN   5           H        ASN   5   2.286   1.819  -6.470
   34    HA   ASN   5           HA       ASN   5   1.749   4.522  -5.310
   35   1HB   ASN   5          1HB       ASN   5   2.174   5.460  -7.472
   36   2HB   ASN   5          2HB       ASN   5   3.439   4.364  -6.982
   37   1HD2  ASN   5          1HD2      ASN   5   1.833   3.710 -10.599
   38   2HD2  ASN   5          2HD2      ASN   5   1.458   5.197  -9.584
   39    H    VAL   6           H        VAL   6  -0.257   4.409  -4.474
   40    HA   VAL   6           HA       VAL   6  -2.613   4.713  -6.374
   41    HB   VAL   6           HB       VAL   6  -2.618   2.732  -4.002
   42   1HG1  VAL   6          3HG2      VAL   6  -4.815   3.935  -4.068
   43   2HG1  VAL   6          1HG2      VAL   6  -5.000   3.549  -5.797
   44   3HG1  VAL   6          2HG2      VAL   6  -5.004   2.252  -4.574
   45   1HG2  VAL   6          1HG1      VAL   6  -3.041   2.204  -7.019
   46   2HG2  VAL   6          2HG1      VAL   6  -1.656   1.666  -6.037
   47   3HG2  VAL   6          3HG1      VAL   6  -3.259   1.002  -5.720
   48    H    SER   7           H        SER   7  -3.439   6.596  -5.857
   49    HA   SER   7           HA       SER   7  -2.597   8.107  -3.475
   50   1HB   SER   7          1HB       SER   7  -3.900   9.996  -4.370
   51   2HB   SER   7          2HB       SER   7  -2.840   9.271  -5.576
   52    HG   SER   7           HG       SER   7  -4.654   8.121  -6.373
   53    H    CYS   8           H        CYS   8  -3.438   7.973  -1.555
   54    HA   CYS   8           HA       CYS   8  -6.129   6.728  -1.049
   55   1HB   CYS   8          1HB       CYS   8  -3.996   7.666   0.984
   56   2HB   CYS   8          2HB       CYS   8  -5.414   6.658   1.330
   57    H    THR   9           H        THR   9  -7.653   7.446   0.273
   58    HA   THR   9           HA       THR   9  -7.578  10.177   1.577
   59    HB   THR   9           HB       THR   9  -8.764  10.719  -0.440
   60    HG1  THR   9           HG1      THR   9  -9.383  11.565   1.546
   61   1HG2  THR   9          2HG2      THR   9  -9.797   8.568  -1.198
   62   2HG2  THR   9          3HG2      THR   9 -10.928   8.608   0.178
   63   3HG2  THR   9          1HG2      THR   9 -10.998   9.869  -1.071
   64    H    GLY  10           H        GLY  10  -6.836   8.485   3.061
   65   1HA   GLY  10          2HA       GLY  10  -7.606   7.648   5.328
   66   2HA   GLY  10          1HA       GLY  10  -9.110   7.097   4.611
   67    H    SER  11           H        SER  11  -7.421   5.518   6.125
   68    HA   SER  11           HA       SER  11  -5.772   3.656   4.551
   69   1HB   SER  11          1HB       SER  11  -7.010   3.276   7.334
   70   2HB   SER  11          2HB       SER  11  -5.914   2.131   6.558
   71    HG   SER  11           HG       SER  11  -4.839   3.604   7.872
   72    HA   PRO  12           HA       PRO  12  -9.709   0.619   4.266
   73   1HB   PRO  12          1HB       PRO  12 -11.781   2.848   3.885
   74   2HB   PRO  12          2HB       PRO  12 -12.018   1.192   4.488
   75   1HG   PRO  12          2HG       PRO  12 -11.872   3.227   6.268
   76   2HG   PRO  12          1HG       PRO  12 -10.977   1.728   6.619
   77   1HD   PRO  12          1HD       PRO  12  -9.881   4.351   5.469
   78   2HD   PRO  12          2HD       PRO  12  -9.191   3.310   6.749
   79    H    GLN  13           H        GLN  13  -9.132   3.540   2.405
   80    HA   GLN  13           HA       GLN  13 -10.232   2.734  -0.182
   81   1HB   GLN  13          1HB       GLN  13  -7.848   4.595   0.466
   82   2HB   GLN  13          2HB       GLN  13  -8.539   4.419  -1.131
   83   1HG   GLN  13          1HG       GLN  13 -10.016   5.529   1.325
   84   2HG   GLN  13          2HG       GLN  13  -9.326   6.459   0.021
   85   1HE2  GLN  13          1HE2      GLN  13 -12.120   5.783  -2.207
   86   2HE2  GLN  13          2HE2      GLN  13 -10.346   6.270  -2.150
   87    H    CYS  14           H        CYS  14  -7.024   1.989   1.229
   88    HA   CYS  14           HA       CYS  14  -5.950   0.740  -1.247
   89   1HB   CYS  14          1HB       CYS  14  -4.999   0.545   1.681
   90   2HB   CYS  14          2HB       CYS  14  -4.065   0.047   0.257
   91    H    ILE  15           H        ILE  15  -8.183  -0.619   1.063
   92    HA   ILE  15           HA       ILE  15  -7.279  -3.343   1.207
   93    HB   ILE  15           HB       ILE  15 -10.152  -2.270   1.296
   94   1HG1  ILE  15          2HG1      ILE  15  -8.749  -1.150   2.999
   95   2HG1  ILE  15          1HG1      ILE  15 -10.031  -2.097   3.678
   96   1HG2  ILE  15          3HG2      ILE  15  -9.155  -4.992   2.331
   97   2HG2  ILE  15          1HG2      ILE  15 -10.757  -4.288   2.668
   98   3HG2  ILE  15          2HG2      ILE  15 -10.307  -4.705   1.010
   99   1HD1  ILE  15          3HD1      ILE  15  -7.061  -2.962   3.590
  100   2HD1  ILE  15          1HD1      ILE  15  -7.909  -2.289   5.000
  101   3HD1  ILE  15          2HD1      ILE  15  -8.369  -3.888   4.371
  102    H    LYS  16           H        LYS  16  -9.715  -2.081  -1.181
  103    HA   LYS  16           HA       LYS  16  -9.758  -4.595  -2.708
  104   1HB   LYS  16          1HB       LYS  16 -11.642  -3.025  -2.666
  105   2HB   LYS  16          2HB       LYS  16 -10.782  -1.826  -3.584
  106   1HG   LYS  16          1HG       LYS  16 -11.309  -4.686  -4.640
  107   2HG   LYS  16          2HG       LYS  16 -12.511  -3.412  -4.740
  108   1HD   LYS  16          1HD       LYS  16 -10.984  -1.988  -6.126
  109   2HD   LYS  16          2HD       LYS  16  -9.731  -3.229  -6.061
  110   1HE   LYS  16          1HE       LYS  16 -11.259  -4.879  -7.215
  111   2HE   LYS  16          2HE       LYS  16 -12.531  -3.650  -7.295
  112   1HZ   LYS  16          2HZ       LYS  16  -9.845  -3.419  -8.567
  113   2HZ   LYS  16          3HZ       LYS  16 -11.262  -3.748  -9.348
  114   3HZ   LYS  16          1HZ       LYS  16 -11.032  -2.272  -8.643
  115    HA   PRO  17           HA       PRO  17  -6.445  -2.497  -5.840
  116   1HB   PRO  17          1HB       PRO  17  -5.084  -0.813  -3.657
  117   2HB   PRO  17          2HB       PRO  17  -5.074  -0.573  -5.419
  118   1HG   PRO  17          1HG       PRO  17  -6.771   0.890  -3.879
  119   2HG   PRO  17          2HG       PRO  17  -7.363   0.211  -5.415
  120   1HD   PRO  17          1HD       PRO  17  -7.855  -0.812  -2.582
  121   2HD   PRO  17          2HD       PRO  17  -8.974  -0.724  -3.970
  122    H    CYS  18           H        CYS  18  -5.557  -3.104  -2.413
  123    HA   CYS  18           HA       CYS  18  -3.099  -4.632  -2.925
  124   1HB   CYS  18          1HB       CYS  18  -5.014  -4.735  -0.504
  125   2HB   CYS  18          2HB       CYS  18  -3.415  -5.491  -0.579
  126    H    LYS  19           H        LYS  19  -6.423  -5.855  -2.160
  127    HA   LYS  19           HA       LYS  19  -5.862  -8.663  -2.677
  128   1HB   LYS  19          1HB       LYS  19  -7.819  -7.681  -1.378
  129   2HB   LYS  19          2HB       LYS  19  -8.553  -7.158  -2.886
  130   1HG   LYS  19          2HG       LYS  19  -8.703  -9.581  -3.630
  131   2HG   LYS  19          1HG       LYS  19  -7.925 -10.087  -2.129
  132   1HD   LYS  19          1HD       LYS  19  -9.825  -9.091  -0.800
  133   2HD   LYS  19          2HD       LYS  19 -10.615  -8.555  -2.275
  134   1HE   LYS  19          1HE       LYS  19 -10.019 -11.520  -1.584
  135   2HE   LYS  19          2HE       LYS  19 -11.543 -10.701  -1.249
  136   1HZ   LYS  19          2HZ       LYS  19 -11.837 -10.331  -3.636
  137   2HZ   LYS  19          3HZ       LYS  19 -10.410 -11.092  -3.974
  138   3HZ   LYS  19          1HZ       LYS  19 -11.662 -11.940  -3.310
  139    H    ASP  20           H        ASP  20  -7.279  -6.248  -4.904
  140    HA   ASP  20           HA       ASP  20  -7.587  -7.925  -7.240
  141   1HB   ASP  20          1HB       ASP  20  -8.551  -5.585  -6.845
  142   2HB   ASP  20          2HB       ASP  20  -6.970  -4.894  -7.152
  143    H    ALA  21           H        ALA  21  -4.653  -6.093  -6.236
  144    HA   ALA  21           HA       ALA  21  -2.983  -6.912  -8.555
  145   1HB   ALA  21          2HB       ALA  21  -2.386  -4.926  -7.161
  146   2HB   ALA  21          3HB       ALA  21  -2.136  -5.962  -5.733
  147   3HB   ALA  21          1HB       ALA  21  -1.067  -6.112  -7.147
  148    H    GLY  22           H        GLY  22  -3.262  -8.187  -5.218
  149   1HA   GLY  22          1HA       GLY  22  -3.325 -10.824  -5.202
  150   2HA   GLY  22          2HA       GLY  22  -1.767 -10.760  -6.015
  151    H    MET  23           H        MET  23  -3.238  -9.089  -3.216
  152    HA   MET  23           HA       MET  23  -0.984  -9.969  -1.367
  153   1HB   MET  23          1HB       MET  23  -1.695  -6.996  -1.882
  154   2HB   MET  23          2HB       MET  23  -0.622  -7.584  -0.626
  155   1HG   MET  23          1HG       MET  23   0.854  -8.648  -2.491
  156   2HG   MET  23          2HG       MET  23  -0.110  -7.704  -3.642
  157   1HE   MET  23          3HE       MET  23   1.931  -6.411  -4.549
  158   2HE   MET  23          2HE       MET  23   3.106  -5.516  -3.544
  159   3HE   MET  23          1HE       MET  23   3.054  -7.303  -3.472
  160    H    ARG  24           H        ARG  24  -1.395  -9.155   0.885
  161    HA   ARG  24           HA       ARG  24  -4.072 -10.339   1.607
  162   1HB   ARG  24          1HB       ARG  24  -1.654  -9.656   3.382
  163   2HB   ARG  24          2HB       ARG  24  -3.153 -10.349   3.975
  164   1HG   ARG  24          1HG       ARG  24  -2.860 -12.372   2.549
  165   2HG   ARG  24          2HG       ARG  24  -1.370 -11.727   1.885
  166   1HD   ARG  24          1HD       ARG  24  -1.794 -12.319   4.888
  167   2HD   ARG  24          2HD       ARG  24  -1.095 -13.457   3.732
  168    HE   ARG  24           HE       ARG  24   0.459 -11.003   3.543
  169   1HH1  ARG  24          2HH2      ARG  24  -0.106 -13.632   5.870
  170   2HH1  ARG  24          1HH2      ARG  24   1.573 -13.392   6.571
  171   1HH2  ARG  24          1HH1      ARG  24   2.350 -10.820   4.420
  172   2HH2  ARG  24          2HH1      ARG  24   2.866 -11.908   5.803
  173    H    PHE  25           H        PHE  25  -2.335  -7.567   3.119
  174    HA   PHE  25           HA       PHE  25  -5.065  -6.331   3.753
  175   1HB   PHE  25          1HB       PHE  25  -2.373  -5.924   5.211
  176   2HB   PHE  25          2HB       PHE  25  -3.906  -5.246   5.677
  177    HD1  PHE  25           HD2      PHE  25  -5.841  -6.801   6.416
  178    HD2  PHE  25           HD1      PHE  25  -1.804  -8.214   5.934
  179    HE1  PHE  25           HE2      PHE  25  -6.359  -8.790   7.774
  180    HE2  PHE  25           HE1      PHE  25  -2.340 -10.192   7.285
  181    HZ   PHE  25           HZ       PHE  25  -4.616 -10.487   8.207
  182    H    GLY  26           H        GLY  26  -5.026  -4.008   4.078
  183   1HA   GLY  26          2HA       GLY  26  -3.285  -2.416   2.089
  184   2HA   GLY  26          1HA       GLY  26  -5.035  -2.303   1.992
  185    H    LYS  27           H        LYS  27  -2.214  -1.554   3.861
  186    HA   LYS  27           HA       LYS  27  -3.802   0.305   5.735
  187   1HB   LYS  27          1HB       LYS  27  -2.414  -1.580   6.789
  188   2HB   LYS  27          2HB       LYS  27  -0.959  -0.837   6.175
  189   1HG   LYS  27          1HG       LYS  27  -2.978   0.417   8.153
  190   2HG   LYS  27          2HG       LYS  27  -1.506  -0.407   8.605
  191   1HD   LYS  27          1HD       LYS  27  -1.710   2.291   7.158
  192   2HD   LYS  27          2HD       LYS  27  -1.263   2.031   8.818
  193   1HE   LYS  27          1HE       LYS  27   0.430   1.122   6.388
  194   2HE   LYS  27          2HE       LYS  27   0.680   2.591   7.320
  195   1HZ   LYS  27          2HZ       LYS  27   1.125   1.229   9.289
  196   2HZ   LYS  27          3HZ       LYS  27   0.892  -0.162   8.428
  197   3HZ   LYS  27          1HZ       LYS  27   2.153   0.837   8.054
  198    H    CYS  28           H        CYS  28  -3.702   2.327   5.003
  199    HA   CYS  28           HA       CYS  28  -1.572   3.113   3.007
  200   1HB   CYS  28          1HB       CYS  28  -4.089   3.497   2.584
  201   2HB   CYS  28          2HB       CYS  28  -3.991   4.853   3.716
  202    H    MET  29           H        MET  29  -0.009   4.448   3.383
  203    HA   MET  29           HA       MET  29   0.203   6.124   5.934
  204   1HB   MET  29          1HB       MET  29   2.272   5.537   3.714
  205   2HB   MET  29          2HB       MET  29   2.543   6.622   5.067
  206   1HG   MET  29          1HG       MET  29   2.149   4.718   6.715
  207   2HG   MET  29          2HG       MET  29   2.021   3.610   5.339
  208   1HE   MET  29          1HE       MET  29   4.382   5.395   7.809
  209   2HE   MET  29          3HE       MET  29   5.899   5.641   6.896
  210   3HE   MET  29          2HE       MET  29   4.468   6.652   6.535
  211    H    ASN  30           H        ASN  30   1.639   8.323   4.786
  212    HA   ASN  30           HA       ASN  30  -0.696  10.047   4.430
  213   1HB   ASN  30          1HB       ASN  30   2.296  10.716   4.076
  214   2HB   ASN  30          2HB       ASN  30   1.010  11.902   4.024
  215   1HD2  ASN  30          1HD2      ASN  30   2.271  10.836   7.692
  216   2HD2  ASN  30          2HD2      ASN  30   3.070  10.207   6.158
  217    H    ARG  31           H        ARG  31  -1.855   9.737   2.743
  218    HA   ARG  31           HA       ARG  31  -2.714   9.611   0.585
  219   1HB   ARG  31          1HB       ARG  31  -0.394  11.500  -0.154
  220   2HB   ARG  31          2HB       ARG  31  -1.728  11.093  -1.225
  221   1HG   ARG  31          1HG       ARG  31  -3.395  12.014   0.408
  222   2HG   ARG  31          2HG       ARG  31  -2.077  12.497   1.482
  223   1HD   ARG  31          1HD       ARG  31  -1.122  13.981  -0.337
  224   2HD   ARG  31          2HD       ARG  31  -2.435  13.493  -1.425
  225    HE   ARG  31           HE       ARG  31  -3.647  14.519   1.024
  226   1HH1  ARG  31          2HH2      ARG  31  -1.808  15.746  -1.763
  227   2HH1  ARG  31          1HH2      ARG  31  -2.588  17.395  -1.569
  228   1HH2  ARG  31          1HH1      ARG  31  -4.473  16.434   1.149
  229   2HH2  ARG  31          2HH1      ARG  31  -3.995  17.755  -0.031
  230    H    LYS  32           H        LYS  32  -0.422   7.553   1.262
  231    HA   LYS  32           HA       LYS  32  -0.271   6.448  -1.584
  232   1HB   LYS  32          1HB       LYS  32   2.192   6.878   0.224
  233   2HB   LYS  32          2HB       LYS  32   2.204   5.819  -1.173
  234   1HG   LYS  32          2HG       LYS  32   1.550   8.817  -1.467
  235   2HG   LYS  32          1HG       LYS  32   3.175   8.200  -1.366
  236   1HD   LYS  32          1HD       LYS  32   2.817   8.480  -3.643
  237   2HD   LYS  32          2HD       LYS  32   2.810   6.740  -3.397
  238   1HE   LYS  32          1HE       LYS  32   0.314   6.675  -3.642
  239   2HE   LYS  32          2HE       LYS  32   0.234   8.444  -3.677
  240   1HZ   LYS  32          3HZ       LYS  32   1.608   6.744  -5.700
  241   2HZ   LYS  32          1HZ       LYS  32   0.151   7.499  -5.893
  242   3HZ   LYS  32          2HZ       LYS  32   1.531   8.394  -5.739
  243    H    CYS  33           H        CYS  33  -0.905   4.466  -1.583
  244    HA   CYS  33           HA       CYS  33  -1.534   2.853   0.721
  245   1HB   CYS  33          1HB       CYS  33  -1.195   2.116  -2.251
  246   2HB   CYS  33          2HB       CYS  33  -1.760   0.946  -1.050
  247    H    HIS  34           H        HIS  34  -0.578   1.224   1.817
  248    HA   HIS  34           HA       HIS  34   2.011  -0.045   0.758
  249   1HB   HIS  34          1HB       HIS  34   1.460   0.766   3.680
  250   2HB   HIS  34          2HB       HIS  34   2.606  -0.476   3.233
  251    HD1  HIS  34           HD1      HIS  34   5.060   0.310   2.768
  252    HD2  HIS  34           HD2      HIS  34   2.054   3.358   2.455
  253    HE1  HIS  34           HE1      HIS  34   6.152   2.619   2.436
  254    HE2  HIS  34           HE2      HIS  34   4.429   4.524   2.226
  255    H    CYS  35           H        CYS  35   1.243  -1.827  -0.012
  256    HA   CYS  35           HA       CYS  35  -0.944  -3.435   1.295
  257   1HB   CYS  35          1HB       CYS  35   0.658  -3.885  -1.304
  258   2HB   CYS  35          2HB       CYS  35  -0.632  -4.956  -0.713
  259    H    THR  36           H        THR  36  -0.639  -5.368   2.333
  260    HA   THR  36           HA       THR  36   2.150  -6.096   3.240
  261    HB   THR  36           HB       THR  36  -0.564  -7.234   4.117
  262    HG1  THR  36           HG1      THR  36   1.229  -5.396   5.317
  263   1HG2  THR  36          3HG2      THR  36   2.230  -7.590   5.394
  264   2HG2  THR  36          1HG2      THR  36   0.682  -8.118   6.104
  265   3HG2  THR  36          2HG2      THR  36   1.273  -8.871   4.608
  266    HA   PRO  37           HA       PRO  37   1.889  -8.816  -0.437
  267   1HB   PRO  37          1HB       PRO  37   4.445  -9.917  -0.481
  268   2HB   PRO  37          2HB       PRO  37   4.068  -8.239  -0.890
  269   1HG   PRO  37          2HG       PRO  37   5.084  -9.319   1.784
  270   2HG   PRO  37          1HG       PRO  37   5.697  -7.924   0.865
  271   1HD   PRO  37          1HD       PRO  37   3.927  -7.631   2.974
  272   2HD   PRO  37          2HD       PRO  37   3.862  -6.536   1.564
  273    H    LYS  38           H        LYS  38   1.182 -10.774  -0.920
  274    HA   LYS  38           HA       LYS  38   0.808 -12.823   1.255
  275   1HB   LYS  38          1HB       LYS  38  -1.054 -12.047  -0.324
  276   2HB   LYS  38          2HB       LYS  38  -0.246 -12.870  -1.644
  277   1HG   LYS  38          1HG       LYS  38  -0.550 -15.078  -0.476
  278   2HG   LYS  38          2HG       LYS  38  -1.126 -14.261   0.966
  279   1HD   LYS  38          1HD       LYS  38  -3.046 -15.140  -0.049
  280   2HD   LYS  38          2HD       LYS  38  -3.164 -13.414  -0.292
  281   1HE   LYS  38          1HE       LYS  38  -2.138 -15.389  -2.464
  282   2HE   LYS  38          2HE       LYS  38  -3.839 -14.996  -2.247
  283   1HZ   LYS  38          3HZ       LYS  38  -3.342 -12.666  -2.704
  284   2HZ   LYS  38          1HZ       LYS  38  -1.738 -13.005  -2.916
  285   3HZ   LYS  38          2HZ       LYS  38  -2.859 -13.629  -3.956
   
  No H/Q in entry =         285
  Start of MODEL           4
 Raw file had  289 H/Q atoms
  Start of MODEL    4
    1   1H    GLY   1          3H        GLY   1   6.332  -3.536   4.322
    2   2H    GLY   1          1H        GLY   1   4.914  -3.675   5.158
    3   3H    GLY   1          2H        GLY   1   5.123  -4.503   3.741
    4   1HA   GLY   1          2HA       GLY   1   3.657  -2.553   3.438
    5   2HA   GLY   1          1HA       GLY   1   4.970  -1.535   4.022
    6    H    VAL   2           H        VAL   2   3.689  -3.180   1.331
    7    HA   VAL   2           HA       VAL   2   6.141  -2.734  -0.430
    8    HB   VAL   2           HB       VAL   2   3.562  -4.295  -1.035
    9   1HG1  VAL   2          1HG2      VAL   2   6.119  -3.996  -2.758
   10   2HG1  VAL   2          2HG2      VAL   2   4.762  -5.100  -3.098
   11   3HG1  VAL   2          3HG2      VAL   2   4.510  -3.350  -3.156
   12   1HG2  VAL   2          1HG1      VAL   2   6.429  -5.326  -0.466
   13   2HG2  VAL   2          2HG1      VAL   2   5.018  -5.527   0.596
   14   3HG2  VAL   2          3HG1      VAL   2   5.050  -6.326  -0.982
   15    HA   PRO   3           HA       PRO   3   3.663   1.101  -1.293
   16   1HB   PRO   3          1HB       PRO   3   5.542   2.577  -2.704
   17   2HB   PRO   3          2HB       PRO   3   5.560   2.333  -0.955
   18   1HG   PRO   3          2HG       PRO   3   7.156   0.799  -3.061
   19   2HG   PRO   3          1HG       PRO   3   7.747   1.501  -1.537
   20   1HD   PRO   3          2HD       PRO   3   7.102  -1.177  -1.768
   21   2HD   PRO   3          1HD       PRO   3   6.820  -0.292  -0.235
   22    H    ILE   4           H        ILE   4   2.036   0.669  -2.615
   23    HA   ILE   4           HA       ILE   4   2.473   0.292  -5.622
   24    HB   ILE   4           HB       ILE   4   0.158  -0.377  -5.856
   25   1HG1  ILE   4          2HG1      ILE   4  -0.185  -0.469  -2.797
   26   2HG1  ILE   4          1HG1      ILE   4  -0.813   0.804  -3.830
   27   1HG2  ILE   4          2HG2      ILE   4   1.947  -2.104  -5.549
   28   2HG2  ILE   4          3HG2      ILE   4   1.590  -2.179  -3.808
   29   3HG2  ILE   4          1HG2      ILE   4   0.368  -2.683  -5.000
   30   1HD1  ILE   4          2HD1      ILE   4  -2.260  -0.807  -5.086
   31   2HD1  ILE   4          3HD1      ILE   4  -1.705  -2.129  -4.024
   32   3HD1  ILE   4          1HD1      ILE   4  -2.615  -0.763  -3.345
   33    H    ASN   5           H        ASN   5   1.547   1.701  -7.031
   34    HA   ASN   5           HA       ASN   5   1.330   4.518  -6.064
   35   1HB   ASN   5          1HB       ASN   5   1.392   5.239  -8.349
   36   2HB   ASN   5          2HB       ASN   5   2.674   4.110  -7.994
   37   1HD2  ASN   5          1HD2      ASN   5   0.398   3.245 -11.180
   38   2HD2  ASN   5          2HD2      ASN   5   0.290   4.838 -10.267
   39    H    VAL   6           H        VAL   6  -0.500   4.459  -4.833
   40    HA   VAL   6           HA       VAL   6  -3.136   4.893  -6.279
   41    HB   VAL   6           HB       VAL   6  -2.827   2.881  -3.956
   42   1HG1  VAL   6          3HG2      VAL   6  -4.940   4.225  -3.647
   43   2HG1  VAL   6          1HG2      VAL   6  -5.453   3.813  -5.302
   44   3HG1  VAL   6          2HG2      VAL   6  -5.290   2.545  -4.056
   45   1HG2  VAL   6          1HG1      VAL   6  -3.812   2.412  -6.847
   46   2HG2  VAL   6          2HG1      VAL   6  -2.301   1.795  -6.131
   47   3HG2  VAL   6          3HG1      VAL   6  -3.851   1.212  -5.528
   48    H    SER   7           H        SER   7  -3.618   6.852  -5.654
   49    HA   SER   7           HA       SER   7  -2.413   8.138  -3.248
   50   1HB   SER   7          1HB       SER   7  -3.455  10.240  -4.017
   51   2HB   SER   7          2HB       SER   7  -2.520   9.445  -5.282
   52    HG   SER   7           HG       SER   7  -4.523  10.198  -6.015
   53    H    CYS   8           H        CYS   8  -3.255   8.056  -1.323
   54    HA   CYS   8           HA       CYS   8  -6.041   7.035  -0.853
   55   1HB   CYS   8          1HB       CYS   8  -3.789   7.696   1.166
   56   2HB   CYS   8          2HB       CYS   8  -5.304   6.880   1.559
   57    H    THR   9           H        THR   9  -7.503   7.806   0.497
   58    HA   THR   9           HA       THR   9  -7.247  10.514   1.848
   59    HB   THR   9           HB       THR   9  -8.487  11.019  -0.203
   60    HG1  THR   9           HG1      THR   9 -10.085  11.017   2.123
   61   1HG2  THR   9          3HG2      THR   9 -10.723   9.092   0.713
   62   2HG2  THR   9          1HG2      THR   9 -10.824  10.274  -0.611
   63   3HG2  THR   9          2HG2      THR   9  -9.711   8.898  -0.739
   64    H    GLY  10           H        GLY  10  -6.620   8.189   2.972
   65   1HA   GLY  10          1HA       GLY  10  -7.446   7.654   5.457
   66   2HA   GLY  10          2HA       GLY  10  -8.974   7.227   4.688
   67    H    SER  11           H        SER  11  -7.600   5.431   6.170
   68    HA   SER  11           HA       SER  11  -5.912   3.556   4.657
   69   1HB   SER  11          1HB       SER  11  -7.486   3.090   7.255
   70   2HB   SER  11          2HB       SER  11  -6.362   1.933   6.537
   71    HG   SER  11           HG       SER  11  -4.751   3.533   6.618
   72    HA   PRO  12           HA       PRO  12  -9.946   0.728   3.893
   73   1HB   PRO  12          1HB       PRO  12 -11.869   3.046   3.307
   74   2HB   PRO  12          2HB       PRO  12 -12.239   1.403   3.877
   75   1HG   PRO  12          2HG       PRO  12 -12.185   3.436   5.666
   76   2HG   PRO  12          1HG       PRO  12 -11.402   1.896   6.104
   77   1HD   PRO  12          1HD       PRO  12 -10.068   4.463   5.086
   78   2HD   PRO  12          2HD       PRO  12  -9.567   3.388   6.424
   79    H    GLN  13           H        GLN  13  -9.132   3.636   2.112
   80    HA   GLN  13           HA       GLN  13 -10.011   2.945  -0.575
   81   1HB   GLN  13          1HB       GLN  13  -7.770   4.755   0.540
   82   2HB   GLN  13          2HB       GLN  13  -7.948   4.529  -1.180
   83   1HG   GLN  13          2HG       GLN  13  -9.010   6.605  -0.401
   84   2HG   GLN  13          1HG       GLN  13 -10.059   5.566  -1.321
   85   1HE2  GLN  13          1HE2      GLN  13 -11.084   6.212   2.623
   86   2HE2  GLN  13          2HE2      GLN  13  -9.326   6.392   2.111
   87    H    CYS  14           H        CYS  14  -6.950   2.061   1.059
   88    HA   CYS  14           HA       CYS  14  -5.740   0.786  -1.339
   89   1HB   CYS  14          1HB       CYS  14  -5.002   0.565   1.650
   90   2HB   CYS  14          2HB       CYS  14  -3.969   0.090   0.286
   91    H    ILE  15           H        ILE  15  -8.089  -0.517   0.910
   92    HA   ILE  15           HA       ILE  15  -7.223  -3.233   1.156
   93    HB   ILE  15           HB       ILE  15 -10.075  -2.105   1.123
   94   1HG1  ILE  15          1HG1      ILE  15  -8.666  -1.027   2.863
   95   2HG1  ILE  15          2HG1      ILE  15 -10.023  -1.899   3.497
   96   1HG2  ILE  15          3HG2      ILE  15  -9.214  -4.853   2.202
   97   2HG2  ILE  15          1HG2      ILE  15 -10.796  -4.086   2.493
   98   3HG2  ILE  15          2HG2      ILE  15 -10.319  -4.528   0.848
   99   1HD1  ILE  15          3HD1      ILE  15  -7.113  -2.954   3.534
  100   2HD1  ILE  15          1HD1      ILE  15  -7.954  -2.184   4.898
  101   3HD1  ILE  15          2HD1      ILE  15  -8.510  -3.760   4.291
  102    H    LYS  16           H        LYS  16  -9.665  -2.123  -1.344
  103    HA   LYS  16           HA       LYS  16  -9.570  -4.696  -2.734
  104   1HB   LYS  16          2HB       LYS  16 -10.742  -1.976  -3.545
  105   2HB   LYS  16          1HB       LYS  16 -10.809  -3.374  -4.573
  106   1HG   LYS  16          1HG       LYS  16 -12.084  -3.109  -1.797
  107   2HG   LYS  16          2HG       LYS  16 -12.912  -3.045  -3.335
  108   1HD   LYS  16          1HD       LYS  16 -11.584  -5.510  -2.061
  109   2HD   LYS  16          2HD       LYS  16 -13.296  -5.205  -2.193
  110   1HE   LYS  16          1HE       LYS  16 -11.411  -5.732  -4.593
  111   2HE   LYS  16          2HE       LYS  16 -12.442  -6.928  -3.819
  112   1HZ   LYS  16          2HZ       LYS  16 -14.393  -5.620  -4.473
  113   2HZ   LYS  16          3HZ       LYS  16 -13.437  -4.493  -5.213
  114   3HZ   LYS  16          1HZ       LYS  16 -13.491  -6.039  -5.793
  115    HA   PRO  17           HA       PRO  17  -6.461  -2.679  -6.025
  116   1HB   PRO  17          1HB       PRO  17  -5.033  -0.809  -4.057
  117   2HB   PRO  17          2HB       PRO  17  -5.170  -0.686  -5.825
  118   1HG   PRO  17          2HG       PRO  17  -6.797   0.823  -4.257
  119   2HG   PRO  17          1HG       PRO  17  -7.486   0.016  -5.684
  120   1HD   PRO  17          2HD       PRO  17  -7.662  -0.856  -2.755
  121   2HD   PRO  17          1HD       PRO  17  -8.932  -0.845  -4.010
  122    H    CYS  18           H        CYS  18  -5.372  -2.981  -2.607
  123    HA   CYS  18           HA       CYS  18  -2.941  -4.559  -3.092
  124   1HB   CYS  18          1HB       CYS  18  -4.795  -4.359  -0.630
  125   2HB   CYS  18          2HB       CYS  18  -3.304  -5.298  -0.644
  126    H    LYS  19           H        LYS  19  -6.264  -5.682  -2.215
  127    HA   LYS  19           HA       LYS  19  -5.810  -8.531  -2.478
  128   1HB   LYS  19          1HB       LYS  19  -7.769  -7.365  -1.361
  129   2HB   LYS  19          2HB       LYS  19  -8.399  -6.910  -2.936
  130   1HG   LYS  19          2HG       LYS  19  -8.660  -9.383  -3.505
  131   2HG   LYS  19          1HG       LYS  19  -8.042  -9.800  -1.905
  132   1HD   LYS  19          1HD       LYS  19  -9.962  -8.547  -0.835
  133   2HD   LYS  19          2HD       LYS  19 -10.555  -8.074  -2.431
  134   1HE   LYS  19          1HE       LYS  19 -10.898 -10.523  -3.033
  135   2HE   LYS  19          2HE       LYS  19 -10.321 -10.996  -1.427
  136   1HZ   LYS  19          2HZ       LYS  19 -12.709  -9.288  -1.953
  137   2HZ   LYS  19          3HZ       LYS  19 -12.736 -10.881  -1.514
  138   3HZ   LYS  19          1HZ       LYS  19 -12.176  -9.741  -0.457
  139    H    ASP  20           H        ASP  20  -7.075  -6.295  -4.982
  140    HA   ASP  20           HA       ASP  20  -7.322  -8.213  -7.144
  141   1HB   ASP  20          1HB       ASP  20  -8.324  -5.861  -7.015
  142   2HB   ASP  20          2HB       ASP  20  -6.741  -5.182  -7.345
  143    H    ALA  21           H        ALA  21  -4.433  -6.290  -6.209
  144    HA   ALA  21           HA       ALA  21  -2.693  -7.202  -8.429
  145   1HB   ALA  21          2HB       ALA  21  -2.156  -5.163  -7.087
  146   2HB   ALA  21          3HB       ALA  21  -1.939  -6.146  -5.619
  147   3HB   ALA  21          1HB       ALA  21  -0.826  -6.335  -6.991
  148    H    GLY  22           H        GLY  22  -3.028  -8.340  -5.049
  149   1HA   GLY  22          2HA       GLY  22  -3.063 -11.003  -4.975
  150   2HA   GLY  22          1HA       GLY  22  -1.453 -10.905  -5.681
  151    H    MET  23           H        MET  23  -3.190  -9.218  -3.053
  152    HA   MET  23           HA       MET  23  -0.976  -9.888  -1.054
  153   1HB   MET  23          1HB       MET  23  -2.109  -7.044  -1.405
  154   2HB   MET  23          2HB       MET  23  -0.825  -7.552  -0.323
  155   1HG   MET  23          1HG       MET  23  -0.592  -7.463  -3.396
  156   2HG   MET  23          2HG       MET  23   0.033  -6.268  -2.270
  157   1HE   MET  23          1HE       MET  23   2.008  -7.409  -4.323
  158   2HE   MET  23          3HE       MET  23   2.514  -6.347  -2.971
  159   3HE   MET  23          2HE       MET  23   3.409  -7.859  -3.303
  160    H    ARG  24           H        ARG  24  -1.586  -9.358   1.164
  161    HA   ARG  24           HA       ARG  24  -4.347 -10.390   1.753
  162   1HB   ARG  24          1HB       ARG  24  -2.337 -11.419   2.773
  163   2HB   ARG  24          2HB       ARG  24  -1.900  -9.913   3.556
  164   1HG   ARG  24          1HG       ARG  24  -3.958 -10.008   4.965
  165   2HG   ARG  24          2HG       ARG  24  -4.515 -11.421   4.079
  166   1HD   ARG  24          2HD       ARG  24  -3.586 -12.099   6.245
  167   2HD   ARG  24          1HD       ARG  24  -2.623 -12.798   4.938
  168    HE   ARG  24           HE       ARG  24  -1.193 -10.437   5.541
  169   1HH1  ARG  24          2HH2      ARG  24  -2.248 -13.209   7.501
  170   2HH1  ARG  24          1HH2      ARG  24  -0.800 -12.994   8.606
  171   1HH2  ARG  24          1HH1      ARG  24   0.399 -10.269   6.875
  172   2HH2  ARG  24          2HH1      ARG  24   0.597 -11.439   8.274
  173    H    PHE  25           H        PHE  25  -2.506  -7.774   3.459
  174    HA   PHE  25           HA       PHE  25  -5.148  -6.316   3.864
  175   1HB   PHE  25          1HB       PHE  25  -2.470  -5.705   5.251
  176   2HB   PHE  25          2HB       PHE  25  -4.034  -5.057   5.650
  177    HD1  PHE  25           HD2      PHE  25  -5.947  -7.122   6.040
  178    HD2  PHE  25           HD1      PHE  25  -1.729  -7.262   6.893
  179    HE1  PHE  25           HE2      PHE  25  -6.328  -8.883   7.714
  180    HE2  PHE  25           HE1      PHE  25  -2.134  -9.013   8.563
  181    HZ   PHE  25           HZ       PHE  25  -4.427  -9.836   8.974
  182    H    GLY  26           H        GLY  26  -5.138  -4.046   3.835
  183   1HA   GLY  26          1HA       GLY  26  -3.222  -2.620   1.885
  184   2HA   GLY  26          2HA       GLY  26  -4.960  -2.453   1.675
  185    H    LYS  27           H        LYS  27  -2.224  -1.642   3.638
  186    HA   LYS  27           HA       LYS  27  -3.917   0.116   5.525
  187   1HB   LYS  27          1HB       LYS  27  -1.149  -1.167   5.977
  188   2HB   LYS  27          2HB       LYS  27  -1.890   0.005   7.056
  189   1HG   LYS  27          1HG       LYS  27  -3.832  -1.514   7.463
  190   2HG   LYS  27          2HG       LYS  27  -3.158  -2.736   6.399
  191   1HD   LYS  27          1HD       LYS  27  -1.748  -1.732   8.970
  192   2HD   LYS  27          2HD       LYS  27  -2.862  -3.076   8.903
  193   1HE   LYS  27          1HE       LYS  27  -0.772  -4.139   8.869
  194   2HE   LYS  27          2HE       LYS  27  -1.323  -4.256   7.202
  195   1HZ   LYS  27          2HZ       LYS  27   0.632  -2.252   8.248
  196   2HZ   LYS  27          3HZ       LYS  27   1.003  -3.591   7.355
  197   3HZ   LYS  27          1HZ       LYS  27   0.143  -2.358   6.673
  198    H    CYS  28           H        CYS  28  -3.779   2.179   5.024
  199    HA   CYS  28           HA       CYS  28  -1.672   3.077   3.074
  200   1HB   CYS  28          1HB       CYS  28  -4.213   3.468   2.722
  201   2HB   CYS  28          2HB       CYS  28  -4.045   4.835   3.836
  202    H    MET  29           H        MET  29  -0.092   4.349   3.492
  203    HA   MET  29           HA       MET  29   0.213   5.933   6.084
  204   1HB   MET  29          1HB       MET  29   2.161   5.467   3.724
  205   2HB   MET  29          2HB       MET  29   2.516   6.460   5.125
  206   1HG   MET  29          1HG       MET  29   2.258   4.477   6.672
  207   2HG   MET  29          2HG       MET  29   1.960   3.443   5.265
  208   1HE   MET  29          2HE       MET  29   4.614   5.090   7.541
  209   2HE   MET  29          1HE       MET  29   6.044   5.301   6.487
  210   3HE   MET  29          3HE       MET  29   4.627   6.374   6.293
  211    H    ASN  30           H        ASN  30   1.584   8.182   5.049
  212    HA   ASN  30           HA       ASN  30  -0.737   9.934   4.691
  213   1HB   ASN  30          1HB       ASN  30   2.270  10.578   4.464
  214   2HB   ASN  30          2HB       ASN  30   1.006  11.790   4.379
  215   1HD2  ASN  30          1HD2      ASN  30   0.427  11.784   7.940
  216   2HD2  ASN  30          2HD2      ASN  30  -0.245  12.275   6.298
  217    H    ARG  31           H        ARG  31  -1.842   9.683   2.950
  218    HA   ARG  31           HA       ARG  31  -2.622   9.628   0.754
  219   1HB   ARG  31          1HB       ARG  31  -0.227  11.454   0.107
  220   2HB   ARG  31          2HB       ARG  31  -1.559  11.109  -0.990
  221   1HG   ARG  31          1HG       ARG  31  -3.216  12.080   0.618
  222   2HG   ARG  31          2HG       ARG  31  -1.906  12.481   1.735
  223   1HD   ARG  31          1HD       ARG  31  -0.835  13.953  -0.028
  224   2HD   ARG  31          2HD       ARG  31  -2.149  13.559  -1.154
  225    HE   ARG  31           HE       ARG  31  -3.388  14.577   1.270
  226   1HH1  ARG  31          2HH2      ARG  31  -1.322  15.807  -1.352
  227   2HH1  ARG  31          1HH2      ARG  31  -2.005  17.495  -1.116
  228   1HH2  ARG  31          1HH1      ARG  31  -4.093  16.535   1.449
  229   2HH2  ARG  31          2HH1      ARG  31  -3.467  17.876   0.363
  230    H    LYS  32           H        LYS  32  -0.455   7.504   1.518
  231    HA   LYS  32           HA       LYS  32   0.020   6.500  -1.354
  232   1HB   LYS  32          1HB       LYS  32   2.180   6.695   0.861
  233   2HB   LYS  32          2HB       LYS  32   2.360   5.792  -0.643
  234   1HG   LYS  32          2HG       LYS  32   2.094   7.898  -1.986
  235   2HG   LYS  32          1HG       LYS  32   1.928   8.830  -0.497
  236   1HD   LYS  32          1HD       LYS  32   4.246   8.016   0.243
  237   2HD   LYS  32          2HD       LYS  32   4.389   7.149  -1.279
  238   1HE   LYS  32          1HE       LYS  32   5.623   9.185  -1.561
  239   2HE   LYS  32          2HE       LYS  32   4.175   9.365  -2.548
  240   1HZ   LYS  32          1HZ       LYS  32   4.565  10.529   0.176
  241   2HZ   LYS  32          2HZ       LYS  32   4.644  11.359  -1.250
  242   3HZ   LYS  32          3HZ       LYS  32   3.207  10.720  -0.744
  243    H    CYS  33           H        CYS  33  -0.753   4.535  -1.507
  244    HA   CYS  33           HA       CYS  33  -1.532   2.800   0.707
  245   1HB   CYS  33          1HB       CYS  33  -1.238   2.316  -2.319
  246   2HB   CYS  33          2HB       CYS  33  -1.794   1.040  -1.220
  247    H    HIS  34           H        HIS  34  -0.521   1.230   1.812
  248    HA   HIS  34           HA       HIS  34   2.020  -0.079   0.679
  249   1HB   HIS  34          1HB       HIS  34   1.550   0.919   3.556
  250   2HB   HIS  34          2HB       HIS  34   2.694  -0.350   3.188
  251    HD1  HIS  34           HD1      HIS  34   5.073   0.301   2.142
  252    HD2  HIS  34           HD2      HIS  34   2.166   3.448   2.398
  253    HE1  HIS  34           HE1      HIS  34   6.161   2.573   1.607
  254    HE2  HIS  34           HE2      HIS  34   4.496   4.538   1.727
  255    H    CYS  35           H        CYS  35   1.362  -1.990   0.114
  256    HA   CYS  35           HA       CYS  35  -0.848  -3.483   1.471
  257   1HB   CYS  35          1HB       CYS  35   1.014  -4.384  -0.825
  258   2HB   CYS  35          2HB       CYS  35  -0.467  -5.192  -0.276
  259    H    THR  36           H        THR  36  -0.661  -5.543   2.408
  260    HA   THR  36           HA       THR  36   2.090  -6.361   3.521
  261    HB   THR  36           HB       THR  36  -0.662  -6.972   4.725
  262    HG1  THR  36           HG1      THR  36   1.456  -5.292   5.571
  263   1HG2  THR  36          3HG2      THR  36   2.168  -7.589   5.806
  264   2HG2  THR  36          1HG2      THR  36   0.640  -7.814   6.695
  265   3HG2  THR  36          2HG2      THR  36   0.975  -8.797   5.256
  266    HA   PRO  37           HA       PRO  37   1.061  -9.421   0.174
  267   1HB   PRO  37          1HB       PRO  37   3.645 -10.715   1.239
  268   2HB   PRO  37          2HB       PRO  37   3.125 -10.491  -0.448
  269   1HG   PRO  37          1HG       PRO  37   4.917  -8.764   0.622
  270   2HG   PRO  37          2HG       PRO  37   3.579  -8.112  -0.357
  271   1HD   PRO  37          1HD       PRO  37   3.806  -8.180   2.702
  272   2HD   PRO  37          2HD       PRO  37   3.232  -6.869   1.628
  273    H    LYS  38           H        LYS  38   0.268 -11.460  -0.087
  274    HA   LYS  38           HA       LYS  38  -0.614 -12.939   2.396
  275   1HB   LYS  38          1HB       LYS  38  -2.094 -14.246   0.972
  276   2HB   LYS  38          2HB       LYS  38  -2.365 -12.531   0.813
  277   1HG   LYS  38          1HG       LYS  38  -1.241 -12.494  -1.429
  278   2HG   LYS  38          2HG       LYS  38  -0.829 -14.193  -1.269
  279   1HD   LYS  38          1HD       LYS  38  -2.718 -14.079  -2.714
  280   2HD   LYS  38          2HD       LYS  38  -3.260 -14.823  -1.216
  281   1HE   LYS  38          1HE       LYS  38  -4.303 -12.595  -0.507
  282   2HE   LYS  38          2HE       LYS  38  -3.729 -11.862  -2.009
  283   1HZ   LYS  38          2HZ       LYS  38  -5.093 -13.460  -3.246
  284   2HZ   LYS  38          3HZ       LYS  38  -5.639 -14.138  -1.842
  285   3HZ   LYS  38          1HZ       LYS  38  -6.019 -12.572  -2.205
   
  No H/Q in entry =         285
  Start of MODEL           5
 Raw file had  289 H/Q atoms
  Start of MODEL    5
    1   1H    GLY   1          1H        GLY   1   3.005  -1.995   4.236
    2   2H    GLY   1          2H        GLY   1   2.367  -3.165   3.259
    3   3H    GLY   1          3H        GLY   1   2.565  -3.453   4.875
    4   1HA   GLY   1          2HA       GLY   1   4.972  -3.365   4.693
    5   2HA   GLY   1          1HA       GLY   1   4.294  -4.627   3.670
    6    H    VAL   2           H        VAL   2   4.566  -4.456   1.486
    7    HA   VAL   2           HA       VAL   2   6.646  -2.642   0.488
    8    HB   VAL   2           HB       VAL   2   6.422  -3.735  -1.730
    9   1HG1  VAL   2          3HG2      VAL   2   8.003  -4.606  -0.021
   10   2HG1  VAL   2          1HG2      VAL   2   6.752  -5.699   0.620
   11   3HG1  VAL   2          2HG2      VAL   2   7.371  -5.915  -1.037
   12   1HG2  VAL   2          2HG1      VAL   2   4.008  -4.413  -1.790
   13   2HG2  VAL   2          3HG1      VAL   2   5.071  -5.807  -2.039
   14   3HG2  VAL   2          1HG1      VAL   2   4.276  -5.569  -0.468
   15    HA   PRO   3           HA       PRO   3   3.848   0.704  -0.841
   16   1HB   PRO   3          1HB       PRO   3   6.045   1.504  -2.813
   17   2HB   PRO   3          2HB       PRO   3   5.211   2.485  -1.596
   18   1HG   PRO   3          1HG       PRO   3   7.762   1.562  -1.196
   19   2HG   PRO   3          2HG       PRO   3   6.615   1.653   0.153
   20   1HD   PRO   3          1HD       PRO   3   7.462  -0.821  -1.416
   21   2HD   PRO   3          2HD       PRO   3   7.136  -0.606   0.332
   22    H    ILE   4           H        ILE   4   2.343   1.099  -2.335
   23    HA   ILE   4           HA       ILE   4   2.725   0.310  -5.243
   24    HB   ILE   4           HB       ILE   4   0.468  -0.384  -5.631
   25   1HG1  ILE   4          2HG1      ILE   4  -0.177  -0.550  -2.630
   26   2HG1  ILE   4          1HG1      ILE   4  -0.645   0.797  -3.649
   27   1HG2  ILE   4          2HG2      ILE   4   2.199  -2.130  -5.185
   28   2HG2  ILE   4          3HG2      ILE   4   1.696  -2.210  -3.479
   29   3HG2  ILE   4          1HG2      ILE   4   0.571  -2.694  -4.770
   30   1HD1  ILE   4          2HD1      ILE   4  -2.011  -0.645  -5.141
   31   2HD1  ILE   4          3HD1      ILE   4  -1.612  -2.072  -4.152
   32   3HD1  ILE   4          1HD1      ILE   4  -2.541  -0.729  -3.446
   33    H    ASN   5           H        ASN   5   1.911   1.783  -6.666
   34    HA   ASN   5           HA       ASN   5   1.568   4.542  -5.559
   35   1HB   ASN   5          1HB       ASN   5   1.834   5.387  -7.802
   36   2HB   ASN   5          2HB       ASN   5   3.126   4.314  -7.324
   37   1HD2  ASN   5          1HD2      ASN   5   2.545   2.056 -10.082
   38   2HD2  ASN   5          2HD2      ASN   5   3.390   2.287  -8.464
   39    H    VAL   6           H        VAL   6  -0.374   4.484  -4.559
   40    HA   VAL   6           HA       VAL   6  -2.831   4.929  -6.290
   41    HB   VAL   6           HB       VAL   6  -2.788   2.890  -3.969
   42   1HG1  VAL   6          3HG2      VAL   6  -4.903   4.235  -3.829
   43   2HG1  VAL   6          1HG2      VAL   6  -5.253   3.895  -5.543
   44   3HG1  VAL   6          2HG2      VAL   6  -5.238   2.580  -4.339
   45   1HG2  VAL   6          1HG1      VAL   6  -3.480   2.479  -6.952
   46   2HG2  VAL   6          2HG1      VAL   6  -2.059   1.829  -6.096
   47   3HG2  VAL   6          3HG1      VAL   6  -3.673   1.257  -5.669
   48    H    SER   7           H        SER   7  -3.508   6.848  -5.693
   49    HA   SER   7           HA       SER   7  -2.484   8.214  -3.271
   50   1HB   SER   7          1HB       SER   7  -3.601  10.243  -4.103
   51   2HB   SER   7          2HB       SER   7  -2.609   9.468  -5.337
   52    HG   SER   7           HG       SER   7  -5.426   9.218  -5.056
   53    H    CYS   8           H        CYS   8  -3.364   8.156  -1.357
   54    HA   CYS   8           HA       CYS   8  -6.213   7.199  -0.934
   55   1HB   CYS   8          1HB       CYS   8  -3.950   7.638   1.136
   56   2HB   CYS   8          2HB       CYS   8  -5.495   6.852   1.442
   57    H    THR   9           H        THR   9  -7.561   7.983   0.532
   58    HA   THR   9           HA       THR   9  -7.277  10.833   1.614
   59    HB   THR   9           HB       THR   9  -9.208  10.690   0.119
   60    HG1  THR   9           HG1      THR   9 -10.626  11.566   1.618
   61   1HG2  THR   9          3HG2      THR   9 -10.519   8.706   2.092
   62   2HG2  THR   9          1HG2      THR   9 -11.323   9.552   0.750
   63   3HG2  THR   9          2HG2      THR   9 -10.061   8.355   0.404
   64    H    GLY  10           H        GLY  10  -8.093   7.447   2.396
   65   1HA   GLY  10          2HA       GLY  10  -6.895   7.785   5.125
   66   2HA   GLY  10          1HA       GLY  10  -8.584   7.253   5.152
   67    H    SER  11           H        SER  11  -7.544   5.393   6.200
   68    HA   SER  11           HA       SER  11  -5.847   3.473   4.732
   69   1HB   SER  11          1HB       SER  11  -7.488   3.045   7.294
   70   2HB   SER  11          2HB       SER  11  -6.387   1.859   6.591
   71    HG   SER  11           HG       SER  11  -4.729   3.411   6.712
   72    HA   PRO  12           HA       PRO  12  -9.955   0.808   3.855
   73   1HB   PRO  12          1HB       PRO  12 -11.790   3.196   3.269
   74   2HB   PRO  12          2HB       PRO  12 -12.226   1.559   3.805
   75   1HG   PRO  12          1HG       PRO  12 -12.134   3.555   5.631
   76   2HG   PRO  12          2HG       PRO  12 -11.409   1.983   6.053
   77   1HD   PRO  12          2HD       PRO  12  -9.977   4.526   5.104
   78   2HD   PRO  12          1HD       PRO  12  -9.531   3.409   6.427
   79    H    GLN  13           H        GLN  13  -8.971   3.688   2.075
   80    HA   GLN  13           HA       GLN  13  -9.907   3.006  -0.594
   81   1HB   GLN  13          1HB       GLN  13  -7.363   4.560   0.229
   82   2HB   GLN  13          2HB       GLN  13  -7.982   4.478  -1.411
   83   1HG   GLN  13          1HG       GLN  13  -9.477   5.739   0.961
   84   2HG   GLN  13          2HG       GLN  13  -8.539   6.597  -0.235
   85   1HE2  GLN  13          1HE2      GLN  13 -11.189   6.470  -2.698
   86   2HE2  GLN  13          2HE2      GLN  13  -9.399   6.795  -2.412
   87    H    CYS  14           H        CYS  14  -6.853   2.011   0.990
   88    HA   CYS  14           HA       CYS  14  -5.749   0.684  -1.418
   89   1HB   CYS  14          1HB       CYS  14  -4.931   0.403   1.542
   90   2HB   CYS  14          2HB       CYS  14  -3.936  -0.014   0.130
   91    H    ILE  15           H        ILE  15  -8.106  -0.552   0.842
   92    HA   ILE  15           HA       ILE  15  -7.313  -3.298   1.078
   93    HB   ILE  15           HB       ILE  15 -10.148  -2.121   1.059
   94   1HG1  ILE  15          1HG1      ILE  15  -8.755  -0.988   2.760
   95   2HG1  ILE  15          2HG1      ILE  15 -10.086  -1.869   3.434
   96   1HG2  ILE  15          3HG2      ILE  15  -9.276  -4.837   2.214
   97   2HG2  ILE  15          1HG2      ILE  15 -10.860  -4.067   2.481
   98   3HG2  ILE  15          2HG2      ILE  15 -10.382  -4.558   0.851
   99   1HD1  ILE  15          3HD1      ILE  15  -7.154  -2.858   3.458
  100   2HD1  ILE  15          1HD1      ILE  15  -7.999  -2.082   4.816
  101   3HD1  ILE  15          2HD1      ILE  15  -8.521  -3.684   4.245
  102    H    LYS  16           H        LYS  16  -9.657  -2.036  -1.403
  103    HA   LYS  16           HA       LYS  16  -9.746  -4.603  -2.836
  104   1HB   LYS  16          2HB       LYS  16 -11.588  -2.985  -2.884
  105   2HB   LYS  16          1HB       LYS  16 -10.682  -1.845  -3.834
  106   1HG   LYS  16          1HG       LYS  16 -11.276  -4.730  -4.783
  107   2HG   LYS  16          2HG       LYS  16 -12.434  -3.423  -4.957
  108   1HD   LYS  16          1HD       LYS  16 -10.833  -2.109  -6.371
  109   2HD   LYS  16          2HD       LYS  16  -9.628  -3.388  -6.235
  110   1HE   LYS  16          1HE       LYS  16 -11.198  -5.028  -7.349
  111   2HE   LYS  16          2HE       LYS  16 -12.422  -3.758  -7.500
  112   1HZ   LYS  16          1HZ       LYS  16 -10.850  -2.492  -8.875
  113   2HZ   LYS  16          2HZ       LYS  16  -9.710  -3.678  -8.734
  114   3HZ   LYS  16          3HZ       LYS  16 -11.127  -3.986  -9.525
  115    HA   PRO  17           HA       PRO  17  -6.351  -2.726  -6.004
  116   1HB   PRO  17          1HB       PRO  17  -4.963  -0.970  -3.898
  117   2HB   PRO  17          2HB       PRO  17  -4.942  -0.814  -5.669
  118   1HG   PRO  17          2HG       PRO  17  -6.609   0.757  -4.210
  119   2HG   PRO  17          1HG       PRO  17  -7.219   0.013  -5.707
  120   1HD   PRO  17          2HD       PRO  17  -7.714  -0.862  -2.824
  121   2HD   PRO  17          1HD       PRO  17  -8.843  -0.807  -4.205
  122    H    CYS  18           H        CYS  18  -5.476  -3.179  -2.548
  123    HA   CYS  18           HA       CYS  18  -3.044  -4.771  -2.989
  124   1HB   CYS  18          1HB       CYS  18  -4.943  -4.667  -0.557
  125   2HB   CYS  18          2HB       CYS  18  -3.377  -5.488  -0.581
  126    H    LYS  19           H        LYS  19  -6.380  -5.900  -2.137
  127    HA   LYS  19           HA       LYS  19  -5.846  -8.742  -2.488
  128   1HB   LYS  19          2HB       LYS  19  -7.775  -7.668  -1.220
  129   2HB   LYS  19          1HB       LYS  19  -8.532  -7.236  -2.744
  130   1HG   LYS  19          2HG       LYS  19  -8.711  -9.699  -3.333
  131   2HG   LYS  19          1HG       LYS  19  -7.890 -10.115  -1.829
  132   1HD   LYS  19          1HD       LYS  19  -9.788  -9.028  -0.509
  133   2HD   LYS  19          2HD       LYS  19 -10.570  -8.597  -2.023
  134   1HE   LYS  19          1HE       LYS  19 -11.705 -10.553  -1.227
  135   2HE   LYS  19          2HE       LYS  19 -10.770 -11.072  -2.627
  136   1HZ   LYS  19          1HZ       LYS  19  -9.977 -11.462   0.228
  137   2HZ   LYS  19          2HZ       LYS  19 -10.569 -12.628  -0.783
  138   3HZ   LYS  19          3HZ       LYS  19  -9.087 -11.959  -1.072
  139    H    ASP  20           H        ASP  20  -7.271  -6.437  -4.828
  140    HA   ASP  20           HA       ASP  20  -7.624  -8.228  -7.072
  141   1HB   ASP  20          1HB       ASP  20  -8.551  -5.861  -6.801
  142   2HB   ASP  20          2HB       ASP  20  -6.962  -5.207  -7.146
  143    H    ALA  21           H        ALA  21  -4.654  -6.390  -6.182
  144    HA   ALA  21           HA       ALA  21  -3.006  -7.347  -8.459
  145   1HB   ALA  21          2HB       ALA  21  -2.363  -5.318  -7.149
  146   2HB   ALA  21          3HB       ALA  21  -2.132  -6.297  -5.679
  147   3HB   ALA  21          1HB       ALA  21  -1.069  -6.530  -7.085
  148    H    GLY  22           H        GLY  22  -3.306  -8.471  -5.069
  149   1HA   GLY  22          1HA       GLY  22  -3.480 -11.090  -4.928
  150   2HA   GLY  22          2HA       GLY  22  -1.939 -11.142  -5.776
  151    H    MET  23           H        MET  23  -3.275  -9.286  -3.019
  152    HA   MET  23           HA       MET  23  -0.950 -10.127  -1.231
  153   1HB   MET  23          1HB       MET  23  -1.709  -7.186  -1.825
  154   2HB   MET  23          2HB       MET  23  -0.595  -7.712  -0.579
  155   1HG   MET  23          1HG       MET  23   0.843  -8.851  -2.402
  156   2HG   MET  23          2HG       MET  23  -0.169  -8.019  -3.599
  157   1HE   MET  23          3HE       MET  23   1.996  -6.949  -4.580
  158   2HE   MET  23          2HE       MET  23   3.094  -5.861  -3.682
  159   3HE   MET  23          1HE       MET  23   3.085  -7.613  -3.317
  160    H    ARG  24           H        ARG  24  -1.249  -9.197   1.000
  161    HA   ARG  24           HA       ARG  24  -3.748 -10.541   1.957
  162   1HB   ARG  24          1HB       ARG  24  -1.460  -9.389   3.663
  163   2HB   ARG  24          2HB       ARG  24  -2.785 -10.393   4.230
  164   1HG   ARG  24          2HG       ARG  24  -1.947 -12.286   2.731
  165   2HG   ARG  24          1HG       ARG  24  -0.585 -11.257   2.273
  166   1HD   ARG  24          2HD       ARG  24   0.083 -11.082   4.732
  167   2HD   ARG  24          1HD       ARG  24  -1.206 -12.198   5.160
  168    HE   ARG  24           HE       ARG  24   1.404 -12.850   3.799
  169   1HH1  ARG  24          2HH2      ARG  24  -1.833 -14.122   4.545
  170   2HH1  ARG  24          1HH2      ARG  24  -1.241 -15.832   4.249
  171   1HH2  ARG  24          1HH1      ARG  24   1.965 -14.830   3.488
  172   2HH2  ARG  24          2HH1      ARG  24   0.766 -16.204   3.692
  173    H    PHE  25           H        PHE  25  -2.252  -7.410   2.955
  174    HA   PHE  25           HA       PHE  25  -5.062  -6.360   3.637
  175   1HB   PHE  25          1HB       PHE  25  -2.446  -5.782   5.180
  176   2HB   PHE  25          2HB       PHE  25  -4.026  -5.159   5.564
  177    HD1  PHE  25           HD2      PHE  25  -5.930  -6.807   6.239
  178    HD2  PHE  25           HD1      PHE  25  -1.788  -7.964   6.088
  179    HE1  PHE  25           HE2      PHE  25  -6.409  -8.755   7.667
  180    HE2  PHE  25           HE1      PHE  25  -2.285  -9.904   7.511
  181    HZ   PHE  25           HZ       PHE  25  -4.592 -10.306   8.303
  182    H    GLY  26           H        GLY  26  -5.176  -4.068   3.821
  183   1HA   GLY  26          2HA       GLY  26  -3.414  -2.473   1.839
  184   2HA   GLY  26          1HA       GLY  26  -5.162  -2.330   1.832
  185    H    LYS  27           H        LYS  27  -2.239  -1.619   3.560
  186    HA   LYS  27           HA       LYS  27  -3.746   0.139   5.594
  187   1HB   LYS  27          1HB       LYS  27  -0.905  -1.030   5.821
  188   2HB   LYS  27          2HB       LYS  27  -1.655   0.049   6.972
  189   1HG   LYS  27          1HG       LYS  27  -2.508  -2.826   6.322
  190   2HG   LYS  27          2HG       LYS  27  -1.687  -2.284   7.766
  191   1HD   LYS  27          1HD       LYS  27  -4.601  -1.577   6.991
  192   2HD   LYS  27          2HD       LYS  27  -4.090  -2.827   8.095
  193   1HE   LYS  27          1HE       LYS  27  -4.758  -1.114   9.547
  194   2HE   LYS  27          2HE       LYS  27  -3.002  -1.011   9.596
  195   1HZ   LYS  27          3HZ       LYS  27  -4.805   0.745   7.986
  196   2HZ   LYS  27          1HZ       LYS  27  -4.030   1.168   9.382
  197   3HZ   LYS  27          2HZ       LYS  27  -3.157   0.865   8.013
  198    H    CYS  28           H        CYS  28  -3.748   2.175   4.977
  199    HA   CYS  28           HA       CYS  28  -1.674   3.155   3.001
  200   1HB   CYS  28          1HB       CYS  28  -4.271   3.392   2.634
  201   2HB   CYS  28          2HB       CYS  28  -4.141   4.812   3.676
  202    H    MET  29           H        MET  29  -0.148   4.473   3.512
  203    HA   MET  29           HA       MET  29  -0.069   6.088   6.101
  204   1HB   MET  29          1HB       MET  29   2.040   5.707   3.872
  205   2HB   MET  29          2HB       MET  29   2.266   6.705   5.300
  206   1HG   MET  29          1HG       MET  29   2.006   4.720   6.818
  207   2HG   MET  29          2HG       MET  29   1.820   3.669   5.398
  208   1HE   MET  29          1HE       MET  29   4.033   2.766   7.244
  209   2HE   MET  29          3HE       MET  29   3.880   2.115   5.581
  210   3HE   MET  29          2HE       MET  29   5.472   2.659   6.185
  211    H    ASN  30           H        ASN  30   1.262   8.390   5.145
  212    HA   ASN  30           HA       ASN  30  -1.110  10.034   4.661
  213   1HB   ASN  30          1HB       ASN  30   1.871  10.832   4.574
  214   2HB   ASN  30          2HB       ASN  30   0.543  11.968   4.448
  215   1HD2  ASN  30          1HD2      ASN  30   1.549  10.845   8.177
  216   2HD2  ASN  30          2HD2      ASN  30   2.502  10.307   6.696
  217    H    ARG  31           H        ARG  31  -2.112   9.752   2.873
  218    HA   ARG  31           HA       ARG  31  -2.787   9.711   0.649
  219   1HB   ARG  31          1HB       ARG  31  -0.381  11.544   0.082
  220   2HB   ARG  31          2HB       ARG  31  -1.695  11.218  -1.038
  221   1HG   ARG  31          1HG       ARG  31  -3.365  12.190   0.552
  222   2HG   ARG  31          2HG       ARG  31  -2.082  12.607   1.678
  223   1HD   ARG  31          1HD       ARG  31  -2.341  13.684  -1.220
  224   2HD   ARG  31          2HD       ARG  31  -2.866  14.515   0.224
  225    HE   ARG  31           HE       ARG  31  -0.557  14.908   0.957
  226   1HH1  ARG  31          2HH2      ARG  31  -0.690  13.383  -2.256
  227   2HH1  ARG  31          1HH2      ARG  31   1.039  13.905  -2.584
  228   1HH2  ARG  31          1HH1      ARG  31   1.394  15.443   0.473
  229   2HH2  ARG  31          2HH1      ARG  31   2.135  14.991  -1.143
  230    H    LYS  32           H        LYS  32  -0.552   7.631   1.479
  231    HA   LYS  32           HA       LYS  32  -0.087   6.624  -1.386
  232   1HB   LYS  32          1HB       LYS  32   2.130   6.937   0.748
  233   2HB   LYS  32          2HB       LYS  32   2.302   5.987  -0.714
  234   1HG   LYS  32          1HG       LYS  32   1.870   9.020  -0.604
  235   2HG   LYS  32          2HG       LYS  32   3.384   8.199  -0.893
  236   1HD   LYS  32          1HD       LYS  32   0.946   8.181  -2.782
  237   2HD   LYS  32          2HD       LYS  32   2.403   9.143  -2.959
  238   1HE   LYS  32          1HE       LYS  32   3.781   7.004  -3.214
  239   2HE   LYS  32          2HE       LYS  32   2.293   6.052  -3.099
  240   1HZ   LYS  32          3HZ       LYS  32   1.461   7.213  -5.074
  241   2HZ   LYS  32          1HZ       LYS  32   2.849   8.100  -5.188
  242   3HZ   LYS  32          2HZ       LYS  32   2.896   6.462  -5.398
  243    H    CYS  33           H        CYS  33  -0.788   4.666  -1.532
  244    HA   CYS  33           HA       CYS  33  -1.513   2.900   0.662
  245   1HB   CYS  33          1HB       CYS  33  -1.213   2.462  -2.366
  246   2HB   CYS  33          2HB       CYS  33  -1.695   1.137  -1.293
  247    H    HIS  34           H        HIS  34  -0.578   1.213   1.649
  248    HA   HIS  34           HA       HIS  34   2.004  -0.017   0.533
  249   1HB   HIS  34          1HB       HIS  34   1.508   0.653   3.506
  250   2HB   HIS  34          2HB       HIS  34   2.774  -0.402   2.911
  251    HD1  HIS  34           HD1      HIS  34   5.021   0.728   1.935
  252    HD2  HIS  34           HD2      HIS  34   1.746   3.365   2.795
  253    HE1  HIS  34           HE1      HIS  34   5.777   3.189   1.774
  254    HE2  HIS  34           HE2      HIS  34   3.878   4.859   2.252
  255    H    CYS  35           H        CYS  35   1.308  -1.870  -0.160
  256    HA   CYS  35           HA       CYS  35  -0.876  -3.460   1.173
  257   1HB   CYS  35          1HB       CYS  35   0.795  -4.030  -1.359
  258   2HB   CYS  35          2HB       CYS  35  -0.518  -5.062  -0.750
  259    H    THR  36           H        THR  36  -0.564  -5.342   2.307
  260    HA   THR  36           HA       THR  36   2.222  -6.032   3.266
  261    HB   THR  36           HB       THR  36  -0.507  -7.149   4.138
  262    HG1  THR  36           HG1      THR  36  -0.078  -5.867   5.942
  263   1HG2  THR  36          3HG2      THR  36   2.273  -7.502   5.450
  264   2HG2  THR  36          1HG2      THR  36   0.715  -8.006   6.152
  265   3HG2  THR  36          2HG2      THR  36   1.315  -8.795   4.679
  266    HA   PRO  37           HA       PRO  37   1.978  -8.821  -0.367
  267   1HB   PRO  37          1HB       PRO  37   4.532  -9.945  -0.369
  268   2HB   PRO  37          2HB       PRO  37   4.165  -8.277  -0.822
  269   1HG   PRO  37          2HG       PRO  37   5.157  -9.294   1.886
  270   2HG   PRO  37          1HG       PRO  37   5.784  -7.926   0.937
  271   1HD   PRO  37          1HD       PRO  37   4.007  -7.562   3.024
  272   2HD   PRO  37          2HD       PRO  37   3.948  -6.510   1.581
  273    H    LYS  38           H        LYS  38   1.403 -10.824  -0.893
  274    HA   LYS  38           HA       LYS  38   1.086 -12.908   1.314
  275   1HB   LYS  38          1HB       LYS  38  -0.934 -12.009   0.058
  276   2HB   LYS  38          2HB       LYS  38  -0.332 -12.745  -1.421
  277   1HG   LYS  38          1HG       LYS  38  -0.506 -15.025  -0.324
  278   2HG   LYS  38          2HG       LYS  38  -1.000 -14.262   1.189
  279   1HD   LYS  38          1HD       LYS  38  -3.049 -13.277  -0.007
  280   2HD   LYS  38          2HD       LYS  38  -2.543 -14.094  -1.477
  281   1HE   LYS  38          1HE       LYS  38  -4.261 -15.463  -0.513
  282   2HE   LYS  38          2HE       LYS  38  -2.757 -16.351  -0.282
  283   1HZ   LYS  38          3HZ       LYS  38  -4.131 -14.703   1.797
  284   2HZ   LYS  38          1HZ       LYS  38  -4.117 -16.353   1.720
  285   3HZ   LYS  38          2HZ       LYS  38  -2.720 -15.530   2.033
   
  No H/Q in entry =         285
  Start of MODEL           6
 Raw file had  289 H/Q atoms
  Start of MODEL    6
    1   1H    GLY   1          2H        GLY   1   5.851  -4.506   4.074
    2   2H    GLY   1          3H        GLY   1   4.521  -4.131   4.981
    3   3H    GLY   1          1H        GLY   1   4.338  -4.765   3.467
    4   1HA   GLY   1          1HA       GLY   1   3.864  -2.364   3.477
    5   2HA   GLY   1          2HA       GLY   1   5.482  -2.088   4.115
    6    H    VAL   2           H        VAL   2   3.630  -2.894   1.324
    7    HA   VAL   2           HA       VAL   2   6.104  -2.845  -0.507
    8    HB   VAL   2           HB       VAL   2   3.476  -4.387  -0.921
    9   1HG1  VAL   2          1HG2      VAL   2   5.930  -4.193  -2.799
   10   2HG1  VAL   2          2HG2      VAL   2   4.539  -5.288  -3.014
   11   3HG1  VAL   2          3HG2      VAL   2   4.308  -3.539  -3.128
   12   1HG2  VAL   2          1HG1      VAL   2   6.362  -5.436  -0.484
   13   2HG2  VAL   2          2HG1      VAL   2   5.020  -5.568   0.674
   14   3HG2  VAL   2          3HG1      VAL   2   4.937  -6.435  -0.864
   15    HA   PRO   3           HA       PRO   3   3.626   1.010  -1.288
   16   1HB   PRO   3          1HB       PRO   3   5.523   2.506  -2.675
   17   2HB   PRO   3          2HB       PRO   3   5.486   2.277  -0.927
   18   1HG   PRO   3          2HG       PRO   3   7.170   0.757  -2.967
   19   2HG   PRO   3          1HG       PRO   3   7.695   1.458  -1.418
   20   1HD   PRO   3          1HD       PRO   3   7.099  -1.222  -1.684
   21   2HD   PRO   3          2HD       PRO   3   6.737  -0.357  -0.158
   22    H    ILE   4           H        ILE   4   2.023   0.559  -2.619
   23    HA   ILE   4           HA       ILE   4   2.458   0.250  -5.630
   24    HB   ILE   4           HB       ILE   4   0.103  -0.316  -5.863
   25   1HG1  ILE   4          2HG1      ILE   4  -0.202  -0.506  -2.804
   26   2HG1  ILE   4          1HG1      ILE   4  -0.783   0.839  -3.768
   27   1HG2  ILE   4          2HG2      ILE   4   1.829  -2.116  -5.637
   28   2HG2  ILE   4          3HG2      ILE   4   1.501  -2.226  -3.891
   29   3HG2  ILE   4          1HG2      ILE   4   0.239  -2.653  -5.072
   30   1HD1  ILE   4          2HD1      ILE   4  -2.322  -0.640  -5.072
   31   2HD1  ILE   4          3HD1      ILE   4  -1.810  -2.040  -4.092
   32   3HD1  ILE   4          1HD1      ILE   4  -2.648  -0.675  -3.324
   33    H    ASN   5           H        ASN   5   1.631   1.738  -7.009
   34    HA   ASN   5           HA       ASN   5   1.447   4.531  -5.958
   35   1HB   ASN   5          1HB       ASN   5   1.600   5.319  -8.217
   36   2HB   ASN   5          2HB       ASN   5   2.850   4.159  -7.847
   37   1HD2  ASN   5          1HD2      ASN   5   0.678   3.423 -11.139
   38   2HD2  ASN   5          2HD2      ASN   5   0.556   4.989 -10.180
   39    H    VAL   6           H        VAL   6  -0.425   4.447  -4.784
   40    HA   VAL   6           HA       VAL   6  -2.987   5.037  -6.302
   41    HB   VAL   6           HB       VAL   6  -2.850   2.908  -4.063
   42   1HG1  VAL   6          3HG2      VAL   6  -4.907   4.319  -3.754
   43   2HG1  VAL   6          1HG2      VAL   6  -5.376   4.035  -5.449
   44   3HG1  VAL   6          2HG2      VAL   6  -5.326   2.688  -4.283
   45   1HG2  VAL   6          1HG1      VAL   6  -3.737   2.623  -7.010
   46   2HG2  VAL   6          2HG1      VAL   6  -2.289   1.900  -6.265
   47   3HG2  VAL   6          3HG1      VAL   6  -3.892   1.363  -5.757
   48    H    SER   7           H        SER   7  -3.405   6.989  -5.612
   49    HA   SER   7           HA       SER   7  -2.283   8.108  -3.081
   50   1HB   SER   7          1HB       SER   7  -3.185  10.279  -3.785
   51   2HB   SER   7          2HB       SER   7  -2.235   9.515  -5.058
   52    HG   SER   7           HG       SER   7  -4.172  10.401  -5.822
   53    H    CYS   8           H        CYS   8  -3.254   8.030  -1.191
   54    HA   CYS   8           HA       CYS   8  -5.991   6.842  -0.978
   55   1HB   CYS   8          1HB       CYS   8  -4.230   7.685   1.405
   56   2HB   CYS   8          2HB       CYS   8  -5.566   6.528   1.384
   57    H    THR   9           H        THR   9  -7.649   7.501   0.230
   58    HA   THR   9           HA       THR   9  -7.721  10.211   1.586
   59    HB   THR   9           HB       THR   9  -8.747  10.756  -0.521
   60    HG1  THR   9           HG1      THR   9 -10.634  10.441   1.553
   61   1HG2  THR   9          2HG2      THR   9  -9.694   8.586  -1.362
   62   2HG2  THR   9          3HG2      THR   9 -10.933   8.624  -0.083
   63   3HG2  THR   9          1HG2      THR   9 -10.907   9.883  -1.336
   64    H    GLY  10           H        GLY  10  -7.057   8.503   3.087
   65   1HA   GLY  10          2HA       GLY  10  -7.984   7.605   5.275
   66   2HA   GLY  10          1HA       GLY  10  -9.413   7.034   4.430
   67    H    SER  11           H        SER  11  -7.577   5.538   6.037
   68    HA   SER  11           HA       SER  11  -5.847   3.754   4.495
   69   1HB   SER  11          1HB       SER  11  -5.684   4.064   6.959
   70   2HB   SER  11          2HB       SER  11  -7.193   3.181   7.200
   71    HG   SER  11           HG       SER  11  -6.208   1.406   6.128
   72    HA   PRO  12           HA       PRO  12  -9.605   0.523   4.065
   73   1HB   PRO  12          1HB       PRO  12 -11.818   2.607   3.659
   74   2HB   PRO  12          2HB       PRO  12 -11.949   0.940   4.261
   75   1HG   PRO  12          1HG       PRO  12 -11.970   2.987   6.035
   76   2HG   PRO  12          2HG       PRO  12 -10.991   1.547   6.407
   77   1HD   PRO  12          1HD       PRO  12 -10.033   4.231   5.270
   78   2HD   PRO  12          2HD       PRO  12  -9.316   3.240   6.572
   79    H    GLN  13           H        GLN  13  -9.242   3.512   2.243
   80    HA   GLN  13           HA       GLN  13 -10.219   2.683  -0.373
   81   1HB   GLN  13          1HB       GLN  13  -7.910   4.623   0.318
   82   2HB   GLN  13          2HB       GLN  13  -8.618   4.458  -1.274
   83   1HG   GLN  13          2HG       GLN  13 -10.098   5.468   1.222
   84   2HG   GLN  13          1HG       GLN  13  -9.442   6.452  -0.059
   85   1HE2  GLN  13          1HE2      GLN  13 -12.251   5.788  -2.266
   86   2HE2  GLN  13          2HE2      GLN  13 -10.503   6.362  -2.196
   87    H    CYS  14           H        CYS  14  -7.009   2.097   1.084
   88    HA   CYS  14           HA       CYS  14  -5.780   0.924  -1.344
   89   1HB   CYS  14          1HB       CYS  14  -5.009   0.683   1.639
   90   2HB   CYS  14          2HB       CYS  14  -3.970   0.250   0.270
   91    H    ILE  15           H        ILE  15  -7.990  -0.569   0.947
   92    HA   ILE  15           HA       ILE  15  -6.895  -3.246   0.987
   93    HB   ILE  15           HB       ILE  15  -9.802  -2.416   1.467
   94   1HG1  ILE  15          2HG1      ILE  15  -7.488  -2.834   3.479
   95   2HG1  ILE  15          1HG1      ILE  15  -8.107  -1.274   2.984
   96   1HG2  ILE  15          2HG2      ILE  15  -9.640  -4.901   1.059
   97   2HG2  ILE  15          3HG2      ILE  15  -8.369  -5.036   2.297
   98   3HG2  ILE  15          1HG2      ILE  15 -10.032  -4.575   2.742
   99   1HD1  ILE  15          2HD1      ILE  15 -10.381  -1.832   3.966
  100   2HD1  ILE  15          3HD1      ILE  15  -9.679  -3.337   4.626
  101   3HD1  ILE  15          1HD1      ILE  15  -9.050  -1.761   5.148
  102    H    LYS  16           H        LYS  16  -9.543  -2.051  -1.212
  103    HA   LYS  16           HA       LYS  16  -9.657  -4.586  -2.695
  104   1HB   LYS  16          2HB       LYS  16 -11.550  -3.008  -2.605
  105   2HB   LYS  16          1HB       LYS  16 -10.698  -1.837  -3.587
  106   1HG   LYS  16          1HG       LYS  16 -10.610  -3.526  -5.491
  107   2HG   LYS  16          2HG       LYS  16 -11.434  -4.705  -4.469
  108   1HD   LYS  16          1HD       LYS  16 -13.437  -3.117  -4.297
  109   2HD   LYS  16          2HD       LYS  16 -12.584  -1.973  -5.324
  110   1HE   LYS  16          1HE       LYS  16 -14.131  -3.119  -6.756
  111   2HE   LYS  16          2HE       LYS  16 -12.532  -3.708  -7.205
  112   1HZ   LYS  16          2HZ       LYS  16 -14.475  -5.142  -5.446
  113   2HZ   LYS  16          3HZ       LYS  16 -14.134  -5.513  -7.020
  114   3HZ   LYS  16          1HZ       LYS  16 -12.979  -5.712  -5.855
  115    HA   PRO  17           HA       PRO  17  -6.486  -2.625  -6.013
  116   1HB   PRO  17          1HB       PRO  17  -5.025  -0.800  -4.022
  117   2HB   PRO  17          2HB       PRO  17  -5.144  -0.657  -5.790
  118   1HG   PRO  17          2HG       PRO  17  -6.745   0.869  -4.211
  119   2HG   PRO  17          1HG       PRO  17  -7.441   0.100  -5.657
  120   1HD   PRO  17          2HD       PRO  17  -7.680  -0.795  -2.743
  121   2HD   PRO  17          1HD       PRO  17  -8.919  -0.752  -4.026
  122    H    CYS  18           H        CYS  18  -5.417  -2.990  -2.596
  123    HA   CYS  18           HA       CYS  18  -2.972  -4.536  -3.118
  124   1HB   CYS  18          1HB       CYS  18  -4.787  -4.370  -0.627
  125   2HB   CYS  18          2HB       CYS  18  -3.281  -5.295  -0.680
  126    H    LYS  19           H        LYS  19  -6.280  -5.703  -2.243
  127    HA   LYS  19           HA       LYS  19  -5.740  -8.550  -2.531
  128   1HB   LYS  19          2HB       LYS  19  -7.706  -7.462  -1.343
  129   2HB   LYS  19          1HB       LYS  19  -8.402  -7.027  -2.895
  130   1HG   LYS  19          1HG       LYS  19  -8.575  -9.494  -3.483
  131   2HG   LYS  19          2HG       LYS  19  -7.847  -9.910  -1.931
  132   1HD   LYS  19          1HD       LYS  19  -9.757  -8.798  -0.722
  133   2HD   LYS  19          2HD       LYS  19 -10.495  -8.331  -2.247
  134   1HE   LYS  19          1HE       LYS  19  -9.996 -11.263  -1.372
  135   2HE   LYS  19          2HE       LYS  19 -11.505 -10.390  -1.121
  136   1HZ   LYS  19          3HZ       LYS  19 -11.727 -10.145  -3.534
  137   2HZ   LYS  19          1HZ       LYS  19 -10.317 -10.966  -3.789
  138   3HZ   LYS  19          2HZ       LYS  19 -11.612 -11.738  -3.112
  139    H    ASP  20           H        ASP  20  -7.090  -6.286  -4.956
  140    HA   ASP  20           HA       ASP  20  -7.343  -8.137  -7.170
  141   1HB   ASP  20          1HB       ASP  20  -8.321  -5.777  -6.982
  142   2HB   ASP  20          2HB       ASP  20  -6.730  -5.105  -7.287
  143    H    ALA  21           H        ALA  21  -4.444  -6.240  -6.219
  144    HA   ALA  21           HA       ALA  21  -2.710  -7.198  -8.431
  145   1HB   ALA  21          2HB       ALA  21  -2.166  -5.122  -7.165
  146   2HB   ALA  21          3HB       ALA  21  -1.960  -6.049  -5.659
  147   3HB   ALA  21          1HB       ALA  21  -0.840  -6.292  -7.020
  148    H    GLY  22           H        GLY  22  -3.045  -8.246  -5.016
  149   1HA   GLY  22          2HA       GLY  22  -3.128 -10.898  -4.929
  150   2HA   GLY  22          1HA       GLY  22  -1.504 -10.843  -5.603
  151    H    MET  23           H        MET  23  -3.178  -9.046  -2.993
  152    HA   MET  23           HA       MET  23  -1.145 -10.028  -0.937
  153   1HB   MET  23          1HB       MET  23  -1.867  -7.052  -1.427
  154   2HB   MET  23          2HB       MET  23  -0.962  -7.659  -0.057
  155   1HG   MET  23          1HG       MET  23   0.801  -6.975  -1.331
  156   2HG   MET  23          2HG       MET  23   0.738  -8.649  -1.879
  157   1HE   MET  23          3HE       MET  23   2.249  -7.595  -3.911
  158   2HE   MET  23          2HE       MET  23   1.636  -6.354  -5.049
  159   3HE   MET  23          1HE       MET  23   1.991  -5.914  -3.350
  160    H    ARG  24           H        ARG  24  -1.736  -9.288   1.263
  161    HA   ARG  24           HA       ARG  24  -4.537 -10.252   1.833
  162   1HB   ARG  24          1HB       ARG  24  -2.587 -11.359   2.870
  163   2HB   ARG  24          2HB       ARG  24  -2.058  -9.861   3.613
  164   1HG   ARG  24          2HG       ARG  24  -4.114  -9.826   5.049
  165   2HG   ARG  24          1HG       ARG  24  -4.723 -11.247   4.211
  166   1HD   ARG  24          1HD       ARG  24  -3.779 -11.880   6.395
  167   2HD   ARG  24          2HD       ARG  24  -2.864 -12.654   5.095
  168    HE   ARG  24           HE       ARG  24  -1.367 -10.300   5.604
  169   1HH1  ARG  24          2HH2      ARG  24  -2.413 -13.032   7.622
  170   2HH1  ARG  24          1HH2      ARG  24  -0.926 -12.835   8.680
  171   1HH2  ARG  24          1HH1      ARG  24   0.270 -10.152   6.881
  172   2HH2  ARG  24          2HH1      ARG  24   0.491 -11.312   8.285
  173    H    PHE  25           H        PHE  25  -2.598  -7.707   3.528
  174    HA   PHE  25           HA       PHE  25  -5.171  -6.163   3.974
  175   1HB   PHE  25          1HB       PHE  25  -2.413  -5.557   5.193
  176   2HB   PHE  25          2HB       PHE  25  -3.944  -4.879   5.667
  177    HD1  PHE  25           HD2      PHE  25  -5.839  -6.991   6.169
  178    HD2  PHE  25           HD1      PHE  25  -1.596  -6.988   6.900
  179    HE1  PHE  25           HE2      PHE  25  -6.127  -8.686   7.928
  180    HE2  PHE  25           HE1      PHE  25  -1.908  -8.669   8.660
  181    HZ   PHE  25           HZ       PHE  25  -4.166  -9.530   9.173
  182    H    GLY  26           H        GLY  26  -5.159  -3.918   3.852
  183   1HA   GLY  26          1HA       GLY  26  -3.242  -2.531   1.882
  184   2HA   GLY  26          2HA       GLY  26  -4.969  -2.339   1.659
  185    H    LYS  27           H        LYS  27  -2.257  -1.580   3.614
  186    HA   LYS  27           HA       LYS  27  -3.889   0.282   5.428
  187   1HB   LYS  27          1HB       LYS  27  -2.176   0.024   7.152
  188   2HB   LYS  27          2HB       LYS  27  -2.963  -1.479   6.742
  189   1HG   LYS  27          2HG       LYS  27  -0.850  -2.077   5.306
  190   2HG   LYS  27          1HG       LYS  27  -0.104  -0.633   5.965
  191   1HD   LYS  27          1HD       LYS  27   0.693  -2.467   7.255
  192   2HD   LYS  27          2HD       LYS  27  -0.392  -1.574   8.315
  193   1HE   LYS  27          1HE       LYS  27  -2.215  -3.297   7.923
  194   2HE   LYS  27          2HE       LYS  27  -1.193  -4.138   6.756
  195   1HZ   LYS  27          2HZ       LYS  27   0.399  -4.575   8.556
  196   2HZ   LYS  27          3HZ       LYS  27  -0.562  -3.790   9.646
  197   3HZ   LYS  27          1HZ       LYS  27  -1.093  -5.178   8.926
  198    H    CYS  28           H        CYS  28  -3.574   2.335   5.121
  199    HA   CYS  28           HA       CYS  28  -1.501   3.193   3.107
  200   1HB   CYS  28          1HB       CYS  28  -3.972   3.642   2.756
  201   2HB   CYS  28          2HB       CYS  28  -3.887   4.863   4.042
  202    H    MET  29           H        MET  29   0.106   4.454   3.493
  203    HA   MET  29           HA       MET  29   0.555   5.948   6.120
  204   1HB   MET  29          1HB       MET  29   2.364   5.392   3.669
  205   2HB   MET  29          2HB       MET  29   2.819   6.479   4.963
  206   1HG   MET  29          1HG       MET  29   3.883   4.350   5.363
  207   2HG   MET  29          2HG       MET  29   2.733   4.682   6.671
  208   1HE   MET  29          3HE       MET  29   3.195   1.977   7.183
  209   2HE   MET  29          2HE       MET  29   2.715   0.686   6.037
  210   3HE   MET  29          1HE       MET  29   4.107   1.742   5.656
  211    H    ASN  30           H        ASN  30   1.975   8.199   4.861
  212    HA   ASN  30           HA       ASN  30  -0.320  10.034   4.820
  213   1HB   ASN  30          1HB       ASN  30   2.631  10.586   4.103
  214   2HB   ASN  30          2HB       ASN  30   1.398  11.822   4.243
  215   1HD2  ASN  30          1HD2      ASN  30   3.100  10.637   7.686
  216   2HD2  ASN  30          2HD2      ASN  30   3.673  10.037   6.044
  217    H    ARG  31           H        ARG  31  -1.675   9.616   3.257
  218    HA   ARG  31           HA       ARG  31  -2.702   9.257   1.212
  219   1HB   ARG  31          1HB       ARG  31  -0.873  11.500   0.180
  220   2HB   ARG  31          2HB       ARG  31  -2.283  10.849  -0.643
  221   1HG   ARG  31          1HG       ARG  31  -3.665  11.483   1.515
  222   2HG   ARG  31          2HG       ARG  31  -2.254  12.410   1.985
  223   1HD   ARG  31          1HD       ARG  31  -3.692  13.976   0.932
  224   2HD   ARG  31          2HD       ARG  31  -2.419  13.716  -0.242
  225    HE   ARG  31           HE       ARG  31  -5.291  12.594  -0.363
  226   1HH1  ARG  31          2HH2      ARG  31  -2.276  13.271  -2.127
  227   2HH1  ARG  31          1HH2      ARG  31  -3.096  12.830  -3.709
  228   1HH2  ARG  31          1HH1      ARG  31  -6.112  12.117  -2.209
  229   2HH2  ARG  31          2HH1      ARG  31  -5.120  12.221  -3.750
  230    H    LYS  32           H        LYS  32  -0.518   7.402   1.708
  231    HA   LYS  32           HA       LYS  32   0.139   6.559  -1.187
  232   1HB   LYS  32          1HB       LYS  32   2.086   6.742   1.206
  233   2HB   LYS  32          2HB       LYS  32   2.439   5.831  -0.256
  234   1HG   LYS  32          2HG       LYS  32   2.314   7.831  -1.669
  235   2HG   LYS  32          1HG       LYS  32   1.874   8.857  -0.319
  236   1HD   LYS  32          1HD       LYS  32   4.538   7.277  -0.422
  237   2HD   LYS  32          2HD       LYS  32   4.323   8.864  -1.121
  238   1HE   LYS  32          1HE       LYS  32   5.345   9.294   0.959
  239   2HE   LYS  32          2HE       LYS  32   3.678   9.812   1.163
  240   1HZ   LYS  32          2HZ       LYS  32   4.832   7.238   2.144
  241   2HZ   LYS  32          3HZ       LYS  32   4.467   8.558   3.068
  242   3HZ   LYS  32          1HZ       LYS  32   3.257   7.697   2.346
  243    H    CYS  33           H        CYS  33  -0.712   4.612  -1.478
  244    HA   CYS  33           HA       CYS  33  -1.562   2.799   0.667
  245   1HB   CYS  33          1HB       CYS  33  -1.340   2.463  -2.383
  246   2HB   CYS  33          2HB       CYS  33  -1.918   1.155  -1.335
  247    H    HIS  34           H        HIS  34  -0.521   1.228   1.711
  248    HA   HIS  34           HA       HIS  34   1.957  -0.109   0.476
  249   1HB   HIS  34          1HB       HIS  34   1.568   0.799   3.393
  250   2HB   HIS  34          2HB       HIS  34   2.660  -0.493   2.965
  251    HD1  HIS  34           HD1      HIS  34   5.079   0.123   2.079
  252    HD2  HIS  34           HD2      HIS  34   2.248   3.343   2.269
  253    HE1  HIS  34           HE1      HIS  34   6.259   2.381   1.699
  254    HE2  HIS  34           HE2      HIS  34   4.642   4.389   1.790
  255    H    CYS  35           H        CYS  35   1.395  -2.053  -0.033
  256    HA   CYS  35           HA       CYS  35  -0.856  -3.545   1.296
  257   1HB   CYS  35          1HB       CYS  35   0.970  -4.399  -1.048
  258   2HB   CYS  35          2HB       CYS  35  -0.505  -5.217  -0.487
  259    H    THR  36           H        THR  36  -0.658  -5.513   2.344
  260    HA   THR  36           HA       THR  36   2.132  -6.353   3.345
  261    HB   THR  36           HB       THR  36  -0.577  -6.824   4.698
  262    HG1  THR  36           HG1      THR  36   0.201  -4.695   4.766
  263   1HG2  THR  36          3HG2      THR  36   2.282  -7.456   5.695
  264   2HG2  THR  36          1HG2      THR  36   0.790  -7.579   6.660
  265   3HG2  THR  36          2HG2      THR  36   1.036  -8.659   5.273
  266    HA   PRO  37           HA       PRO  37   1.043  -9.563   0.170
  267   1HB   PRO  37          1HB       PRO  37   3.597 -10.791   1.373
  268   2HB   PRO  37          2HB       PRO  37   3.079 -10.762  -0.330
  269   1HG   PRO  37          1HG       PRO  37   4.860  -8.913   0.520
  270   2HG   PRO  37          2HG       PRO  37   3.500  -8.377  -0.501
  271   1HD   PRO  37          1HD       PRO  37   3.793  -8.100   2.534
  272   2HD   PRO  37          2HD       PRO  37   3.140  -6.941   1.338
  273    H    LYS  38           H        LYS  38   0.213 -11.552  -0.016
  274    HA   LYS  38           HA       LYS  38  -0.838 -12.860   2.496
  275   1HB   LYS  38          1HB       LYS  38  -2.444 -14.002   1.082
  276   2HB   LYS  38          2HB       LYS  38  -2.466 -12.281   0.806
  277   1HG   LYS  38          1HG       LYS  38  -1.011 -12.729  -1.330
  278   2HG   LYS  38          2HG       LYS  38  -1.373 -14.432  -1.103
  279   1HD   LYS  38          1HD       LYS  38  -3.437 -12.163  -1.484
  280   2HD   LYS  38          2HD       LYS  38  -2.858 -13.236  -2.750
  281   1HE   LYS  38          1HE       LYS  38  -3.858 -15.236  -1.536
  282   2HE   LYS  38          2HE       LYS  38  -4.462 -14.159  -0.267
  283   1HZ   LYS  38          1HZ       LYS  38  -5.778 -12.993  -1.958
  284   2HZ   LYS  38          2HZ       LYS  38  -5.226 -14.006  -3.141
  285   3HZ   LYS  38          3HZ       LYS  38  -6.161 -14.600  -1.915
   
  No H/Q in entry =         285
  Start of MODEL           7
 Raw file had  289 H/Q atoms
  Start of MODEL    7
    1   1H    GLY   1          2H        GLY   1   4.029  -1.730   4.241
    2   2H    GLY   1          3H        GLY   1   2.967  -2.732   3.469
    3   3H    GLY   1          1H        GLY   1   3.419  -3.051   5.025
    4   1HA   GLY   1          2HA       GLY   1   5.701  -3.505   4.372
    5   2HA   GLY   1          1HA       GLY   1   4.571  -4.587   3.564
    6    H    VAL   2           H        VAL   2   4.417  -4.484   1.361
    7    HA   VAL   2           HA       VAL   2   6.591  -3.111  -0.114
    8    HB   VAL   2           HB       VAL   2   5.815  -4.250  -2.155
    9   1HG1  VAL   2          3HG2      VAL   2   7.506  -5.298  -0.647
   10   2HG1  VAL   2          1HG2      VAL   2   6.216  -6.156   0.231
   11   3HG1  VAL   2          2HG2      VAL   2   6.527  -6.518  -1.484
   12   1HG2  VAL   2          1HG1      VAL   2   3.628  -5.575  -0.422
   13   2HG2  VAL   2          2HG1      VAL   2   3.369  -4.555  -1.850
   14   3HG2  VAL   2          3HG1      VAL   2   4.135  -6.138  -2.029
   15    HA   PRO   3           HA       PRO   3   3.904   0.521  -1.033
   16   1HB   PRO   3          1HB       PRO   3   6.118   1.303  -2.986
   17   2HB   PRO   3          2HB       PRO   3   5.356   2.260  -1.702
   18   1HG   PRO   3          2HG       PRO   3   7.855   1.193  -1.377
   19   2HG   PRO   3          1HG       PRO   3   6.719   1.233  -0.013
   20   1HD   PRO   3          2HD       PRO   3   7.407  -1.151  -1.806
   21   2HD   PRO   3          1HD       PRO   3   7.184  -1.067  -0.033
   22    H    ILE   4           H        ILE   4   2.304   0.821  -2.428
   23    HA   ILE   4           HA       ILE   4   2.630   0.143  -5.389
   24    HB   ILE   4           HB       ILE   4   0.344  -0.495  -5.702
   25   1HG1  ILE   4          1HG1      ILE   4  -0.167  -0.634  -2.672
   26   2HG1  ILE   4          2HG1      ILE   4  -0.698   0.680  -3.703
   27   1HG2  ILE   4          2HG2      ILE   4   2.077  -2.266  -5.331
   28   2HG2  ILE   4          3HG2      ILE   4   1.629  -2.357  -3.611
   29   3HG2  ILE   4          1HG2      ILE   4   0.458  -2.817  -4.872
   30   1HD1  ILE   4          2HD1      ILE   4  -2.115  -0.836  -5.089
   31   2HD1  ILE   4          3HD1      ILE   4  -1.660  -2.215  -4.056
   32   3HD1  ILE   4          1HD1      ILE   4  -2.572  -0.851  -3.371
   33    H    ASN   5           H        ASN   5   1.942   1.687  -6.750
   34    HA   ASN   5           HA       ASN   5   1.617   4.428  -5.594
   35   1HB   ASN   5          1HB       ASN   5   1.969   5.319  -7.789
   36   2HB   ASN   5          2HB       ASN   5   3.203   4.167  -7.354
   37   1HD2  ASN   5          1HD2      ASN   5   1.375   3.552 -10.870
   38   2HD2  ASN   5          2HD2      ASN   5   1.134   5.069  -9.859
   39    H    VAL   6           H        VAL   6  -0.347   4.362  -4.632
   40    HA   VAL   6           HA       VAL   6  -2.781   4.830  -6.394
   41    HB   VAL   6           HB       VAL   6  -2.771   2.770  -4.087
   42   1HG1  VAL   6          3HG2      VAL   6  -4.903   4.089  -4.012
   43   2HG1  VAL   6          1HG2      VAL   6  -5.188   3.769  -5.741
   44   3HG1  VAL   6          2HG2      VAL   6  -5.206   2.437  -4.557
   45   1HG2  VAL   6          1HG1      VAL   6  -3.359   2.363  -7.094
   46   2HG2  VAL   6          2HG1      VAL   6  -1.958   1.727  -6.195
   47   3HG2  VAL   6          3HG1      VAL   6  -3.577   1.133  -5.822
   48    H    SER   7           H        SER   7  -3.456   6.739  -5.779
   49    HA   SER   7           HA       SER   7  -2.466   8.072  -3.328
   50   1HB   SER   7          1HB       SER   7  -3.610  10.105  -4.127
   51   2HB   SER   7          2HB       SER   7  -2.614   9.364  -5.377
   52    HG   SER   7           HG       SER   7  -4.516   8.403  -6.220
   53    H    CYS   8           H        CYS   8  -3.359   8.028  -1.413
   54    HA   CYS   8           HA       CYS   8  -6.074   6.801  -0.994
   55   1HB   CYS   8          1HB       CYS   8  -4.016   7.695   1.132
   56   2HB   CYS   8          2HB       CYS   8  -5.436   6.667   1.392
   57    H    THR   9           H        THR   9  -7.622   7.494   0.314
   58    HA   THR   9           HA       THR   9  -7.585  10.212   1.648
   59    HB   THR   9           HB       THR   9  -8.735  10.766  -0.390
   60    HG1  THR   9           HG1      THR   9  -9.391  11.593   1.594
   61   1HG2  THR   9          2HG2      THR   9  -9.747   8.613  -1.177
   62   2HG2  THR   9          3HG2      THR   9 -10.904   8.644   0.177
   63   3HG2  THR   9          1HG2      THR   9 -10.953   9.912  -1.068
   64    H    GLY  10           H        GLY  10  -6.860   8.502   3.126
   65   1HA   GLY  10          1HA       GLY  10  -7.675   7.641   5.371
   66   2HA   GLY  10          2HA       GLY  10  -9.158   7.085   4.615
   67    H    SER  11           H        SER  11  -7.456   5.523   6.156
   68    HA   SER  11           HA       SER  11  -5.766   3.680   4.615
   69   1HB   SER  11          1HB       SER  11  -5.571   3.999   7.079
   70   2HB   SER  11          2HB       SER  11  -7.102   3.162   7.334
   71    HG   SER  11           HG       SER  11  -5.300   1.811   7.508
   72    HA   PRO  12           HA       PRO  12  -9.675   0.607   4.241
   73   1HB   PRO  12          1HB       PRO  12 -11.774   2.806   3.832
   74   2HB   PRO  12          2HB       PRO  12 -11.993   1.149   4.437
   75   1HG   PRO  12          1HG       PRO  12 -11.902   3.193   6.210
   76   2HG   PRO  12          2HG       PRO  12 -10.993   1.706   6.578
   77   1HD   PRO  12          1HD       PRO  12  -9.911   4.337   5.434
   78   2HD   PRO  12          2HD       PRO  12  -9.233   3.313   6.732
   79    H    GLN  13           H        GLN  13  -9.130   3.552   2.400
   80    HA   GLN  13           HA       GLN  13 -10.197   2.754  -0.198
   81   1HB   GLN  13          1HB       GLN  13  -7.825   4.624   0.466
   82   2HB   GLN  13          2HB       GLN  13  -8.527   4.462  -1.130
   83   1HG   GLN  13          2HG       GLN  13  -9.989   5.540   1.349
   84   2HG   GLN  13          1HG       GLN  13  -9.312   6.488   0.052
   85   1HE2  GLN  13          1HE2      GLN  13 -12.121   5.831  -2.162
   86   2HE2  GLN  13          2HE2      GLN  13 -10.349   6.330  -2.109
   87    H    CYS  14           H        CYS  14  -6.971   2.062   1.201
   88    HA   CYS  14           HA       CYS  14  -5.893   0.819  -1.276
   89   1HB   CYS  14          1HB       CYS  14  -4.916   0.660   1.645
   90   2HB   CYS  14          2HB       CYS  14  -3.981   0.180   0.215
   91    H    ILE  15           H        ILE  15  -8.050  -0.564   1.098
   92    HA   ILE  15           HA       ILE  15  -7.114  -3.273   1.252
   93    HB   ILE  15           HB       ILE  15  -9.992  -2.221   1.361
   94   1HG1  ILE  15          2HG1      ILE  15  -8.553  -1.114   3.055
   95   2HG1  ILE  15          1HG1      ILE  15  -9.856  -2.035   3.730
   96   1HG2  ILE  15          3HG2      ILE  15  -8.991  -4.950   2.372
   97   2HG2  ILE  15          1HG2      ILE  15 -10.587  -4.241   2.734
   98   3HG2  ILE  15          2HG2      ILE  15 -10.160  -4.651   1.066
   99   1HD1  ILE  15          3HD1      ILE  15  -6.912  -2.979   3.650
  100   2HD1  ILE  15          1HD1      ILE  15  -7.734  -2.263   5.054
  101   3HD1  ILE  15          2HD1      ILE  15  -8.247  -3.853   4.442
  102    H    LYS  16           H        LYS  16  -9.637  -2.094  -1.120
  103    HA   LYS  16           HA       LYS  16  -9.648  -4.615  -2.609
  104   1HB   LYS  16          2HB       LYS  16 -10.799  -1.829  -3.196
  105   2HB   LYS  16          1HB       LYS  16 -10.859  -3.122  -4.370
  106   1HG   LYS  16          1HG       LYS  16 -12.107  -4.598  -2.739
  107   2HG   LYS  16          2HG       LYS  16 -12.008  -3.330  -1.526
  108   1HD   LYS  16          1HD       LYS  16 -14.201  -3.202  -2.427
  109   2HD   LYS  16          2HD       LYS  16 -13.350  -1.780  -3.014
  110   1HE   LYS  16          1HE       LYS  16 -13.013  -2.929  -5.273
  111   2HE   LYS  16          2HE       LYS  16 -13.833  -4.371  -4.657
  112   1HZ   LYS  16          3HZ       LYS  16 -15.836  -3.012  -4.325
  113   2HZ   LYS  16          1HZ       LYS  16 -15.066  -1.666  -4.897
  114   3HZ   LYS  16          2HZ       LYS  16 -15.340  -2.950  -5.901
  115    HA   PRO  17           HA       PRO  17  -6.575  -2.491  -5.906
  116   1HB   PRO  17          1HB       PRO  17  -5.116  -0.695  -3.888
  117   2HB   PRO  17          2HB       PRO  17  -5.273  -0.504  -5.648
  118   1HG   PRO  17          1HG       PRO  17  -6.880   0.939  -3.991
  119   2HG   PRO  17          2HG       PRO  17  -7.578   0.205  -5.455
  120   1HD   PRO  17          1HD       PRO  17  -7.764  -0.786  -2.570
  121   2HD   PRO  17          2HD       PRO  17  -9.021  -0.738  -3.838
  122    H    CYS  18           H        CYS  18  -5.431  -2.928  -2.524
  123    HA   CYS  18           HA       CYS  18  -2.993  -4.461  -3.126
  124   1HB   CYS  18          1HB       CYS  18  -4.783  -4.371  -0.610
  125   2HB   CYS  18          2HB       CYS  18  -3.272  -5.282  -0.706
  126    H    LYS  19           H        LYS  19  -6.291  -5.627  -2.236
  127    HA   LYS  19           HA       LYS  19  -5.823  -8.471  -2.592
  128   1HB   LYS  19          2HB       LYS  19  -7.759  -7.339  -1.398
  129   2HB   LYS  19          1HB       LYS  19  -8.416  -6.841  -2.947
  130   1HG   LYS  19          1HG       LYS  19  -8.738  -9.288  -3.575
  131   2HG   LYS  19          2HG       LYS  19  -8.001  -9.762  -2.051
  132   1HD   LYS  19          1HD       LYS  19 -10.374  -9.963  -1.778
  133   2HD   LYS  19          2HD       LYS  19  -9.855  -8.616  -0.773
  134   1HE   LYS  19          1HE       LYS  19 -10.687  -6.979  -2.551
  135   2HE   LYS  19          2HE       LYS  19 -11.170  -8.341  -3.572
  136   1HZ   LYS  19          3HZ       LYS  19 -12.712  -9.031  -1.807
  137   2HZ   LYS  19          1HZ       LYS  19 -12.255  -7.759  -0.857
  138   3HZ   LYS  19          2HZ       LYS  19 -13.028  -7.484  -2.292
  139    H    ASP  20           H        ASP  20  -7.088  -6.137  -4.995
  140    HA   ASP  20           HA       ASP  20  -7.357  -7.974  -7.233
  141   1HB   ASP  20          1HB       ASP  20  -8.355  -5.629  -7.019
  142   2HB   ASP  20          2HB       ASP  20  -6.769  -4.936  -7.296
  143    H    ALA  21           H        ALA  21  -4.474  -6.079  -6.233
  144    HA   ALA  21           HA       ALA  21  -2.744  -6.927  -8.494
  145   1HB   ALA  21          2HB       ALA  21  -2.230  -4.888  -7.157
  146   2HB   ALA  21          3HB       ALA  21  -1.988  -5.865  -5.688
  147   3HB   ALA  21          1HB       ALA  21  -0.878  -6.034  -7.068
  148    H    GLY  22           H        GLY  22  -3.044  -8.121  -5.128
  149   1HA   GLY  22          2HA       GLY  22  -3.031 -10.783  -5.146
  150   2HA   GLY  22          1HA       GLY  22  -1.408 -10.635  -5.809
  151    H    MET  23           H        MET  23  -3.158  -8.988  -3.155
  152    HA   MET  23           HA       MET  23  -1.092  -9.936  -1.118
  153   1HB   MET  23          1HB       MET  23  -1.903  -6.977  -1.551
  154   2HB   MET  23          2HB       MET  23  -0.988  -7.586  -0.187
  155   1HG   MET  23          2HG       MET  23   0.756  -6.816  -1.457
  156   2HG   MET  23          1HG       MET  23   0.751  -8.491  -2.006
  157   1HE   MET  23          3HE       MET  23   2.228  -7.470  -3.997
  158   2HE   MET  23          2HE       MET  23   1.620  -6.284  -5.194
  159   3HE   MET  23          1HE       MET  23   1.954  -5.769  -3.513
  160    H    ARG  24           H        ARG  24  -1.705  -9.352   1.089
  161    HA   ARG  24           HA       ARG  24  -4.489 -10.374   1.608
  162   1HB   ARG  24          1HB       ARG  24  -2.502 -11.468   2.601
  163   2HB   ARG  24          2HB       ARG  24  -2.038  -9.992   3.428
  164   1HG   ARG  24          1HG       ARG  24  -4.114 -10.098   4.832
  165   2HG   ARG  24          2HG       ARG  24  -4.660 -11.498   3.919
  166   1HD   ARG  24          2HD       ARG  24  -3.727 -12.212   6.076
  167   2HD   ARG  24          1HD       ARG  24  -2.755 -12.877   4.757
  168    HE   ARG  24           HE       ARG  24  -1.380 -10.481   5.443
  169   1HH1  ARG  24          2HH2      ARG  24  -2.305 -13.412   7.227
  170   2HH1  ARG  24          1HH2      ARG  24  -0.848 -13.219   8.324
  171   1HH2  ARG  24          1HH1      ARG  24   0.227 -10.345   6.760
  172   2HH2  ARG  24          2HH1      ARG  24   0.490 -11.596   8.075
  173    H    PHE  25           H        PHE  25  -2.599  -7.819   3.356
  174    HA   PHE  25           HA       PHE  25  -5.210  -6.283   3.749
  175   1HB   PHE  25          1HB       PHE  25  -2.546  -5.879   5.247
  176   2HB   PHE  25          2HB       PHE  25  -4.063  -5.105   5.594
  177    HD1  PHE  25           HD2      PHE  25  -6.163  -6.811   6.042
  178    HD2  PHE  25           HD1      PHE  25  -2.005  -7.740   6.664
  179    HE1  PHE  25           HE2      PHE  25  -6.782  -8.557   7.660
  180    HE2  PHE  25           HE1      PHE  25  -2.646  -9.465   8.293
  181    HZ   PHE  25           HZ       PHE  25  -5.030  -9.887   8.787
  182    H    GLY  26           H        GLY  26  -5.032  -3.978   3.841
  183   1HA   GLY  26          1HA       GLY  26  -3.025  -2.629   1.945
  184   2HA   GLY  26          2HA       GLY  26  -4.743  -2.422   1.640
  185    H    LYS  27           H        LYS  27  -2.096  -1.650   3.716
  186    HA   LYS  27           HA       LYS  27  -3.814   0.200   5.472
  187   1HB   LYS  27          1HB       LYS  27  -2.518  -1.658   6.622
  188   2HB   LYS  27          2HB       LYS  27  -1.008  -0.959   6.049
  189   1HG   LYS  27          1HG       LYS  27  -1.564   1.181   7.319
  190   2HG   LYS  27          2HG       LYS  27  -3.055   0.456   7.898
  191   1HD   LYS  27          1HD       LYS  27  -0.213  -0.624   8.469
  192   2HD   LYS  27          2HD       LYS  27  -1.116   0.447   9.533
  193   1HE   LYS  27          1HE       LYS  27  -2.934  -1.311   9.799
  194   2HE   LYS  27          2HE       LYS  27  -2.016  -2.413   8.764
  195   1HZ   LYS  27          1HZ       LYS  27  -1.039  -1.293  11.343
  196   2HZ   LYS  27          2HZ       LYS  27  -1.582  -2.832  11.097
  197   3HZ   LYS  27          3HZ       LYS  27  -0.189  -2.323  10.371
  198    H    CYS  28           H        CYS  28  -3.617   2.278   5.039
  199    HA   CYS  28           HA       CYS  28  -1.508   3.179   3.061
  200   1HB   CYS  28          1HB       CYS  28  -4.027   3.480   2.622
  201   2HB   CYS  28          2HB       CYS  28  -3.989   4.808   3.794
  202    H    MET  29           H        MET  29  -0.021   4.581   3.462
  203    HA   MET  29           HA       MET  29   0.146   6.195   6.057
  204   1HB   MET  29          1HB       MET  29   2.196   5.759   3.782
  205   2HB   MET  29          2HB       MET  29   2.454   6.817   5.158
  206   1HG   MET  29          1HG       MET  29   2.260   4.899   6.772
  207   2HG   MET  29          2HG       MET  29   2.013   3.789   5.417
  208   1HE   MET  29          3HE       MET  29   4.584   5.594   7.648
  209   2HE   MET  29          2HE       MET  29   6.016   5.821   6.602
  210   3HE   MET  29          1HE       MET  29   4.566   6.837   6.358
  211    H    ASN  30           H        ASN  30   1.467   8.486   4.953
  212    HA   ASN  30           HA       ASN  30  -0.926  10.122   4.524
  213   1HB   ASN  30          1HB       ASN  30   2.048  10.890   4.271
  214   2HB   ASN  30          2HB       ASN  30   0.732  12.039   4.130
  215   1HD2  ASN  30          1HD2      ASN  30   0.152  12.176   7.685
  216   2HD2  ASN  30          2HD2      ASN  30  -0.534  12.568   6.022
  217    H    ARG  31           H        ARG  31  -2.016   9.737   2.797
  218    HA   ARG  31           HA       ARG  31  -2.794   9.579   0.602
  219   1HB   ARG  31          1HB       ARG  31  -0.461  11.454  -0.111
  220   2HB   ARG  31          2HB       ARG  31  -1.795  11.055  -1.182
  221   1HG   ARG  31          1HG       ARG  31  -3.460  12.063   0.327
  222   2HG   ARG  31          2HG       ARG  31  -2.237  12.436   1.530
  223   1HD   ARG  31          1HD       ARG  31  -2.320  13.601  -1.327
  224   2HD   ARG  31          2HD       ARG  31  -2.918  14.418   0.102
  225    HE   ARG  31           HE       ARG  31  -0.054  14.148  -0.728
  226   1HH1  ARG  31          2HH2      ARG  31  -2.146  14.832   2.068
  227   2HH1  ARG  31          1HH2      ARG  31  -0.756  15.683   2.912
  228   1HH2  ARG  31          1HH1      ARG  31   1.449  15.134   0.326
  229   2HH2  ARG  31          2HH1      ARG  31   1.140  15.841   1.989
  230    H    LYS  32           H        LYS  32  -0.559   7.551   1.438
  231    HA   LYS  32           HA       LYS  32   0.013   6.528  -1.414
  232   1HB   LYS  32          1HB       LYS  32   2.096   6.835   0.856
  233   2HB   LYS  32          2HB       LYS  32   2.354   5.903  -0.617
  234   1HG   LYS  32          2HG       LYS  32   2.049   7.955  -2.026
  235   2HG   LYS  32          1HG       LYS  32   1.792   8.924  -0.573
  236   1HD   LYS  32          1HD       LYS  32   4.114   8.269   0.264
  237   2HD   LYS  32          2HD       LYS  32   4.352   7.327  -1.201
  238   1HE   LYS  32          1HE       LYS  32   5.502   9.404  -1.549
  239   2HE   LYS  32          2HE       LYS  32   4.091   9.449  -2.603
  240   1HZ   LYS  32          3HZ       LYS  32   4.312  10.801   0.051
  241   2HZ   LYS  32          1HZ       LYS  32   4.396  11.540  -1.424
  242   3HZ   LYS  32          2HZ       LYS  32   2.979  10.855  -0.922
  243    H    CYS  33           H        CYS  33  -0.791   4.576  -1.566
  244    HA   CYS  33           HA       CYS  33  -1.539   2.819   0.642
  245   1HB   CYS  33          1HB       CYS  33  -1.246   2.336  -2.388
  246   2HB   CYS  33          2HB       CYS  33  -1.810   1.069  -1.285
  247    H    HIS  34           H        HIS  34  -0.547   1.174   1.670
  248    HA   HIS  34           HA       HIS  34   2.005  -0.079   0.508
  249   1HB   HIS  34          1HB       HIS  34   1.634   0.764   3.456
  250   2HB   HIS  34          2HB       HIS  34   2.899  -0.295   2.863
  251    HD1  HIS  34           HD1      HIS  34   4.911   0.820   1.314
  252    HD2  HIS  34           HD2      HIS  34   1.882   3.430   2.872
  253    HE1  HIS  34           HE1      HIS  34   5.609   3.284   1.018
  254    HE2  HIS  34           HE2      HIS  34   3.852   4.940   1.919
  255    H    CYS  35           H        CYS  35   1.329  -1.997  -0.025
  256    HA   CYS  35           HA       CYS  35  -0.864  -3.469   1.376
  257   1HB   CYS  35          1HB       CYS  35   0.964  -4.375  -0.948
  258   2HB   CYS  35          2HB       CYS  35  -0.520  -5.176  -0.388
  259    H    THR  36           H        THR  36  -0.692  -5.568   2.263
  260    HA   THR  36           HA       THR  36   2.058  -6.393   3.383
  261    HB   THR  36           HB       THR  36  -0.697  -6.949   4.610
  262    HG1  THR  36           HG1      THR  36   0.028  -4.806   4.791
  263   1HG2  THR  36          3HG2      THR  36   2.125  -7.556   5.713
  264   2HG2  THR  36          1HG2      THR  36   0.589  -7.759   6.594
  265   3HG2  THR  36          2HG2      THR  36   0.934  -8.771   5.176
  266    HA   PRO  37           HA       PRO  37   0.914  -9.414   0.043
  267   1HB   PRO  37          1HB       PRO  37   3.638 -10.578   0.852
  268   2HB   PRO  37          2HB       PRO  37   2.948 -10.385  -0.776
  269   1HG   PRO  37          2HG       PRO  37   4.723  -8.553   0.124
  270   2HG   PRO  37          1HG       PRO  37   3.245  -7.982  -0.691
  271   1HD   PRO  37          1HD       PRO  37   3.801  -8.094   2.328
  272   2HD   PRO  37          2HD       PRO  37   3.060  -6.789   1.360
  273    H    LYS  38           H        LYS  38   0.068 -11.378  -0.160
  274    HA   LYS  38           HA       LYS  38  -0.566 -12.948   2.321
  275   1HB   LYS  38          1HB       LYS  38  -2.167 -14.220   0.902
  276   2HB   LYS  38          2HB       LYS  38  -2.430 -12.508   0.973
  277   1HG   LYS  38          1HG       LYS  38  -2.971 -13.052  -1.209
  278   2HG   LYS  38          2HG       LYS  38  -1.427 -12.243  -1.359
  279   1HD   LYS  38          1HD       LYS  38  -0.282 -14.485  -1.642
  280   2HD   LYS  38          2HD       LYS  38  -1.831 -15.305  -1.421
  281   1HE   LYS  38          1HE       LYS  38  -2.732 -14.123  -3.495
  282   2HE   LYS  38          2HE       LYS  38  -1.177 -13.304  -3.702
  283   1HZ   LYS  38          1HZ       LYS  38  -0.125 -15.492  -3.953
  284   2HZ   LYS  38          2HZ       LYS  38  -1.577 -16.258  -3.762
  285   3HZ   LYS  38          3HZ       LYS  38  -1.322 -15.286  -5.073
   
  No H/Q in entry =         285
  Start of MODEL           8
 Raw file had  289 H/Q atoms
  Start of MODEL    8
    1   1H    GLY   1          2H        GLY   1   5.958  -1.765   4.594
    2   2H    GLY   1          3H        GLY   1   4.731  -0.847   3.977
    3   3H    GLY   1          1H        GLY   1   4.470  -1.784   5.313
    4   1HA   GLY   1          2HA       GLY   1   4.765  -3.828   4.056
    5   2HA   GLY   1          1HA       GLY   1   3.445  -2.855   3.413
    6    H    VAL   2           H        VAL   2   3.542  -2.477   1.285
    7    HA   VAL   2           HA       VAL   2   6.193  -2.485  -0.242
    8    HB   VAL   2           HB       VAL   2   3.722  -4.089  -1.145
    9   1HG1  VAL   2          1HG2      VAL   2   6.460  -3.685  -2.544
   10   2HG1  VAL   2          2HG2      VAL   2   5.196  -4.818  -3.077
   11   3HG1  VAL   2          3HG2      VAL   2   4.890  -3.076  -3.117
   12   1HG2  VAL   2          2HG1      VAL   2   5.007  -5.346   0.608
   13   2HG2  VAL   2          3HG1      VAL   2   5.189  -6.113  -0.974
   14   3HG2  VAL   2          1HG1      VAL   2   6.516  -5.126  -0.304
   15    HA   PRO   3           HA       PRO   3   3.720   1.304  -1.223
   16   1HB   PRO   3          1HB       PRO   3   5.651   2.797  -2.564
   17   2HB   PRO   3          2HB       PRO   3   5.562   2.584  -0.815
   18   1HG   PRO   3          1HG       PRO   3   7.315   1.054  -2.789
   19   2HG   PRO   3          2HG       PRO   3   7.790   1.773  -1.232
   20   1HD   PRO   3          1HD       PRO   3   7.213  -0.914  -1.490
   21   2HD   PRO   3          2HD       PRO   3   6.804  -0.036   0.016
   22    H    ILE   4           H        ILE   4   2.164   0.835  -2.606
   23    HA   ILE   4           HA       ILE   4   2.720   0.593  -5.609
   24    HB   ILE   4           HB       ILE   4   0.423  -0.112  -5.958
   25   1HG1  ILE   4          2HG1      ILE   4  -0.002  -0.385  -2.919
   26   2HG1  ILE   4          1HG1      ILE   4  -0.635   0.924  -3.901
   27   1HG2  ILE   4          2HG2      ILE   4   2.243  -1.813  -5.702
   28   2HG2  ILE   4          3HG2      ILE   4   1.842  -1.997  -3.977
   29   3HG2  ILE   4          1HG2      ILE   4   0.664  -2.458  -5.229
   30   1HD1  ILE   4          2HD1      ILE   4  -2.001  -0.652  -5.283
   31   2HD1  ILE   4          3HD1      ILE   4  -1.445  -2.014  -4.273
   32   3HD1  ILE   4          1HD1      ILE   4  -2.409  -0.704  -3.553
   33    H    ASN   5           H        ASN   5   1.882   2.095  -6.965
   34    HA   ASN   5           HA       ASN   5   1.503   4.823  -5.821
   35   1HB   ASN   5          1HB       ASN   5   1.636   5.694  -8.070
   36   2HB   ASN   5          2HB       ASN   5   2.971   4.642  -7.669
   37   1HD2  ASN   5          1HD2      ASN   5   2.289   2.399 -10.417
   38   2HD2  ASN   5          2HD2      ASN   5   3.215   2.634  -8.845
   39    H    VAL   6           H        VAL   6  -0.375   4.722  -4.729
   40    HA   VAL   6           HA       VAL   6  -2.958   5.080  -6.295
   41    HB   VAL   6           HB       VAL   6  -2.667   3.042  -3.989
   42   1HG1  VAL   6          3HG2      VAL   6  -4.839   4.294  -3.742
   43   2HG1  VAL   6          1HG2      VAL   6  -5.273   3.891  -5.423
   44   3HG1  VAL   6          2HG2      VAL   6  -5.105   2.610  -4.191
   45   1HG2  VAL   6          1HG1      VAL   6  -3.511   2.591  -6.929
   46   2HG2  VAL   6          2HG1      VAL   6  -2.015   2.008  -6.156
   47   3HG2  VAL   6          3HG1      VAL   6  -3.575   1.361  -5.638
   48    H    SER   7           H        SER   7  -3.592   6.995  -5.641
   49    HA   SER   7           HA       SER   7  -2.499   8.315  -3.213
   50   1HB   SER   7          1HB       SER   7  -3.672  10.355  -3.947
   51   2HB   SER   7          2HB       SER   7  -2.684   9.639  -5.218
   52    HG   SER   7           HG       SER   7  -4.590   8.688  -6.063
   53    H    CYS   8           H        CYS   8  -3.313   8.077  -1.285
   54    HA   CYS   8           HA       CYS   8  -6.087   6.983  -0.836
   55   1HB   CYS   8          1HB       CYS   8  -3.885   7.624   1.245
   56   2HB   CYS   8          2HB       CYS   8  -5.371   6.722   1.550
   57    H    THR   9           H        THR   9  -7.534   7.699   0.595
   58    HA   THR   9           HA       THR   9  -7.261  10.374   2.002
   59    HB   THR   9           HB       THR   9  -8.546  10.939  -0.007
   60    HG1  THR   9           HG1      THR   9  -8.914  11.910   1.981
   61   1HG2  THR   9          3HG2      THR   9 -10.765   8.996   0.917
   62   2HG2  THR   9          1HG2      THR   9 -10.900  10.219  -0.367
   63   3HG2  THR   9          2HG2      THR   9  -9.797   8.845  -0.573
   64    H    GLY  10           H        GLY  10  -6.616   7.993   3.021
   65   1HA   GLY  10          2HA       GLY  10  -7.363   7.389   5.515
   66   2HA   GLY  10          1HA       GLY  10  -8.919   7.000   4.784
   67    H    SER  11           H        SER  11  -7.435   5.158   6.163
   68    HA   SER  11           HA       SER  11  -5.882   3.293   4.503
   69   1HB   SER  11          1HB       SER  11  -7.329   2.777   7.163
   70   2HB   SER  11          2HB       SER  11  -6.270   1.623   6.348
   71    HG   SER  11           HG       SER  11  -5.565   4.254   7.130
   72    HA   PRO  12           HA       PRO  12 -10.055   0.615   3.853
   73   1HB   PRO  12          1HB       PRO  12 -11.896   3.033   3.431
   74   2HB   PRO  12          2HB       PRO  12 -12.317   1.385   3.950
   75   1HG   PRO  12          2HG       PRO  12 -12.102   3.328   5.818
   76   2HG   PRO  12          1HG       PRO  12 -11.364   1.744   6.156
   77   1HD   PRO  12          1HD       PRO  12  -9.976   4.300   5.189
   78   2HD   PRO  12          2HD       PRO  12  -9.457   3.150   6.456
   79    H    GLN  13           H        GLN  13  -9.178   3.538   2.129
   80    HA   GLN  13           HA       GLN  13 -10.177   2.916  -0.553
   81   1HB   GLN  13          1HB       GLN  13  -7.900   4.706   0.525
   82   2HB   GLN  13          2HB       GLN  13  -8.141   4.511  -1.190
   83   1HG   GLN  13          2HG       GLN  13  -9.165   6.574  -0.323
   84   2HG   GLN  13          1HG       GLN  13 -10.245   5.566  -1.240
   85   1HE2  GLN  13          1HE2      GLN  13 -11.155   6.111   2.749
   86   2HE2  GLN  13          2HE2      GLN  13  -9.412   6.301   2.191
   87    H    CYS  14           H        CYS  14  -7.046   2.072   0.981
   88    HA   CYS  14           HA       CYS  14  -5.873   0.829  -1.434
   89   1HB   CYS  14          1HB       CYS  14  -5.117   0.555   1.547
   90   2HB   CYS  14          2HB       CYS  14  -4.090   0.098   0.172
   91    H    ILE  15           H        ILE  15  -8.184  -0.564   0.820
   92    HA   ILE  15           HA       ILE  15  -7.269  -3.277   0.938
   93    HB   ILE  15           HB       ILE  15 -10.201  -2.374   0.949
   94   1HG1  ILE  15          2HG1      ILE  15  -8.988  -1.017   2.607
   95   2HG1  ILE  15          1HG1      ILE  15 -10.179  -2.056   3.317
   96   1HG2  ILE  15          2HG2      ILE  15 -10.057  -4.845   0.817
   97   2HG2  ILE  15          3HG2      ILE  15  -8.957  -4.900   2.209
   98   3HG2  ILE  15          1HG2      ILE  15 -10.645  -4.363   2.414
   99   1HD1  ILE  15          3HD1      ILE  15  -7.134  -2.572   3.356
  100   2HD1  ILE  15          1HD1      ILE  15  -8.097  -1.921   4.701
  101   3HD1  ILE  15          2HD1      ILE  15  -8.344  -3.600   4.164
  102    H    LYS  16           H        LYS  16  -9.575  -1.928  -1.541
  103    HA   LYS  16           HA       LYS  16  -9.766  -4.440  -3.056
  104   1HB   LYS  16          1HB       LYS  16 -10.639  -1.554  -3.538
  105   2HB   LYS  16          2HB       LYS  16 -10.474  -2.590  -4.918
  106   1HG   LYS  16          1HG       LYS  16 -12.728  -2.634  -4.291
  107   2HG   LYS  16          2HG       LYS  16 -12.106  -4.238  -4.002
  108   1HD   LYS  16          1HD       LYS  16 -12.280  -2.202  -1.686
  109   2HD   LYS  16          2HD       LYS  16 -13.745  -2.958  -2.291
  110   1HE   LYS  16          1HE       LYS  16 -12.848  -5.254  -1.820
  111   2HE   LYS  16          2HE       LYS  16 -11.339  -4.570  -1.215
  112   1HZ   LYS  16          1HZ       LYS  16 -14.033  -4.066  -0.050
  113   2HZ   LYS  16          2HZ       LYS  16 -12.867  -5.049   0.585
  114   3HZ   LYS  16          3HZ       LYS  16 -12.624  -3.415   0.515
  115    HA   PRO  17           HA       PRO  17  -6.231  -2.681  -6.090
  116   1HB   PRO  17          1HB       PRO  17  -4.850  -0.894  -4.008
  117   2HB   PRO  17          2HB       PRO  17  -4.805  -0.778  -5.780
  118   1HG   PRO  17          2HG       PRO  17  -6.480   0.841  -4.383
  119   2HG   PRO  17          1HG       PRO  17  -7.080   0.061  -5.866
  120   1HD   PRO  17          1HD       PRO  17  -7.606  -0.739  -2.963
  121   2HD   PRO  17          2HD       PRO  17  -8.724  -0.704  -4.354
  122    H    CYS  18           H        CYS  18  -5.331  -3.035  -2.617
  123    HA   CYS  18           HA       CYS  18  -2.926  -4.669  -3.049
  124   1HB   CYS  18          1HB       CYS  18  -4.770  -4.415  -0.586
  125   2HB   CYS  18          2HB       CYS  18  -3.243  -5.308  -0.602
  126    H    LYS  19           H        LYS  19  -6.271  -5.703  -2.181
  127    HA   LYS  19           HA       LYS  19  -5.800  -8.580  -2.357
  128   1HB   LYS  19          2HB       LYS  19  -7.702  -7.388  -1.172
  129   2HB   LYS  19          1HB       LYS  19  -8.414  -6.977  -2.723
  130   1HG   LYS  19          1HG       LYS  19  -8.769  -9.433  -3.213
  131   2HG   LYS  19          2HG       LYS  19  -7.919  -9.857  -1.734
  132   1HD   LYS  19          1HD       LYS  19 -10.268 -10.078  -1.297
  133   2HD   LYS  19          2HD       LYS  19  -9.683  -8.714  -0.350
  134   1HE   LYS  19          1HE       LYS  19 -10.659  -7.102  -2.070
  135   2HE   LYS  19          2HE       LYS  19 -11.201  -8.475  -3.048
  136   1HZ   LYS  19          2HZ       LYS  19 -12.604  -9.170  -1.172
  137   2HZ   LYS  19          3HZ       LYS  19 -12.094  -7.888  -0.265
  138   3HZ   LYS  19          1HZ       LYS  19 -12.972  -7.630  -1.639
  139    H    ASP  20           H        ASP  20  -7.095  -6.343  -4.838
  140    HA   ASP  20           HA       ASP  20  -7.449  -8.255  -6.997
  141   1HB   ASP  20          1HB       ASP  20  -8.363  -5.876  -6.878
  142   2HB   ASP  20          2HB       ASP  20  -6.758  -5.248  -7.202
  143    H    ALA  21           H        ALA  21  -4.479  -6.420  -6.121
  144    HA   ALA  21           HA       ALA  21  -2.788  -7.464  -8.322
  145   1HB   ALA  21          2HB       ALA  21  -2.142  -5.418  -7.041
  146   2HB   ALA  21          3HB       ALA  21  -1.970  -6.367  -5.545
  147   3HB   ALA  21          1HB       ALA  21  -0.874  -6.654  -6.915
  148    H    GLY  22           H        GLY  22  -3.170  -8.490  -4.909
  149   1HA   GLY  22          1HA       GLY  22  -3.453 -11.105  -4.751
  150   2HA   GLY  22          2HA       GLY  22  -1.880 -11.217  -5.531
  151    H    MET  23           H        MET  23  -3.254  -9.270  -2.853
  152    HA   MET  23           HA       MET  23  -1.113 -10.282  -0.925
  153   1HB   MET  23          1HB       MET  23  -1.621  -7.284  -1.541
  154   2HB   MET  23          2HB       MET  23  -0.637  -7.892  -0.221
  155   1HG   MET  23          2HG       MET  23   0.837  -9.126  -1.972
  156   2HG   MET  23          1HG       MET  23  -0.009  -8.165  -3.201
  157   1HE   MET  23          3HE       MET  23   1.975  -6.832  -4.116
  158   2HE   MET  23          2HE       MET  23   3.252  -6.100  -3.104
  159   3HE   MET  23          1HE       MET  23   3.056  -7.877  -3.140
  160    H    ARG  24           H        ARG  24  -1.494  -9.220   1.277
  161    HA   ARG  24           HA       ARG  24  -4.093 -10.450   2.112
  162   1HB   ARG  24          1HB       ARG  24  -1.912  -9.275   3.940
  163   2HB   ARG  24          2HB       ARG  24  -3.306 -10.218   4.440
  164   1HG   ARG  24          1HG       ARG  24  -2.403 -12.197   3.100
  165   2HG   ARG  24          2HG       ARG  24  -0.970 -11.231   2.727
  166   1HD   ARG  24          2HD       ARG  24  -0.523 -10.959   5.223
  167   2HD   ARG  24          1HD       ARG  24  -1.901 -11.987   5.589
  168    HE   ARG  24           HE       ARG  24   0.790 -12.847   4.573
  169   1HH1  ARG  24          2HH2      ARG  24  -2.584 -13.908   4.939
  170   2HH1  ARG  24          1HH2      ARG  24  -2.057 -15.661   4.818
  171   1HH2  ARG  24          1HH1      ARG  24   1.273 -14.868   4.448
  172   2HH2  ARG  24          2HH1      ARG  24  -0.021 -16.165   4.558
  173    H    PHE  25           H        PHE  25  -2.571  -7.311   3.035
  174    HA   PHE  25           HA       PHE  25  -5.381  -6.136   3.458
  175   1HB   PHE  25          1HB       PHE  25  -2.919  -5.622   5.255
  176   2HB   PHE  25          2HB       PHE  25  -4.514  -4.961   5.470
  177    HD1  PHE  25           HD2      PHE  25  -6.517  -6.597   5.929
  178    HD2  PHE  25           HD1      PHE  25  -2.391  -7.762   6.303
  179    HE1  PHE  25           HE2      PHE  25  -7.172  -8.512   7.331
  180    HE2  PHE  25           HE1      PHE  25  -3.064  -9.670   7.699
  181    HZ   PHE  25           HZ       PHE  25  -5.452 -10.052   8.214
  182    H    GLY  26           H        GLY  26  -5.433  -3.867   3.560
  183   1HA   GLY  26          1HA       GLY  26  -3.406  -2.368   1.758
  184   2HA   GLY  26          2HA       GLY  26  -5.130  -2.068   1.701
  185    H    LYS  27           H        LYS  27  -2.233  -1.659   3.544
  186    HA   LYS  27           HA       LYS  27  -3.648   0.061   5.674
  187   1HB   LYS  27          1HB       LYS  27  -0.877  -1.310   5.730
  188   2HB   LYS  27          2HB       LYS  27  -1.476  -0.205   6.958
  189   1HG   LYS  27          1HG       LYS  27  -3.346  -1.758   7.547
  190   2HG   LYS  27          2HG       LYS  27  -2.904  -2.836   6.233
  191   1HD   LYS  27          1HD       LYS  27  -2.071  -3.843   8.211
  192   2HD   LYS  27          2HD       LYS  27  -0.672  -3.293   7.299
  193   1HE   LYS  27          1HE       LYS  27  -0.476  -1.263   8.840
  194   2HE   LYS  27          2HE       LYS  27  -1.907  -1.806   9.728
  195   1HZ   LYS  27          3HZ       LYS  27  -0.692  -3.846  10.311
  196   2HZ   LYS  27          1HZ       LYS  27   0.642  -3.334   9.481
  197   3HZ   LYS  27          2HZ       LYS  27   0.132  -2.506  10.818
  198    H    CYS  28           H        CYS  28  -3.633   2.108   5.015
  199    HA   CYS  28           HA       CYS  28  -1.570   3.026   3.032
  200   1HB   CYS  28          1HB       CYS  28  -4.090   3.363   2.683
  201   2HB   CYS  28          2HB       CYS  28  -3.989   4.705   3.838
  202    H    MET  29           H        MET  29   0.031   4.287   3.445
  203    HA   MET  29           HA       MET  29   0.336   5.896   6.019
  204   1HB   MET  29          1HB       MET  29   2.291   5.404   3.673
  205   2HB   MET  29          2HB       MET  29   2.640   6.410   5.069
  206   1HG   MET  29          1HG       MET  29   2.343   4.434   6.629
  207   2HG   MET  29          2HG       MET  29   2.089   3.394   5.220
  208   1HE   MET  29          3HE       MET  29   4.672   5.029   7.572
  209   2HE   MET  29          2HE       MET  29   6.121   5.279   6.553
  210   3HE   MET  29          1HE       MET  29   4.693   6.334   6.344
  211    H    ASN  30           H        ASN  30   1.753   8.122   4.886
  212    HA   ASN  30           HA       ASN  30  -0.567   9.898   4.680
  213   1HB   ASN  30          1HB       ASN  30   2.424  10.530   4.243
  214   2HB   ASN  30          2HB       ASN  30   1.157  11.738   4.283
  215   1HD2  ASN  30          1HD2      ASN  30   2.530  10.506   7.859
  216   2HD2  ASN  30          2HD2      ASN  30   3.261   9.922   6.274
  217    H    ARG  31           H        ARG  31  -1.781   9.626   3.020
  218    HA   ARG  31           HA       ARG  31  -2.686   9.437   0.891
  219   1HB   ARG  31          1HB       ARG  31  -0.572  11.538   0.129
  220   2HB   ARG  31          2HB       ARG  31  -1.912  11.036  -0.896
  221   1HG   ARG  31          1HG       ARG  31  -3.544  11.694   0.966
  222   2HG   ARG  31          2HG       ARG  31  -2.189  12.414   1.832
  223   1HD   ARG  31          1HD       ARG  31  -1.753  13.974  -0.086
  224   2HD   ARG  31          2HD       ARG  31  -3.010  13.216  -1.053
  225    HE   ARG  31           HE       ARG  31  -3.402  15.142   1.224
  226   1HH1  ARG  31          2HH2      ARG  31  -5.055  12.745  -0.823
  227   2HH1  ARG  31          1HH2      ARG  31  -6.676  13.509  -0.430
  228   1HH2  ARG  31          1HH1      ARG  31  -5.299  15.925   1.599
  229   2HH2  ARG  31          2HH1      ARG  31  -6.802  15.186   0.849
  230    H    LYS  32           H        LYS  32  -0.467   7.441   1.468
  231    HA   LYS  32           HA       LYS  32  -0.136   6.485  -1.429
  232   1HB   LYS  32          1HB       LYS  32   2.194   6.761   0.595
  233   2HB   LYS  32          2HB       LYS  32   2.256   5.770  -0.859
  234   1HG   LYS  32          1HG       LYS  32   1.820   7.824  -2.292
  235   2HG   LYS  32          2HG       LYS  32   1.831   8.808  -0.837
  236   1HD   LYS  32          1HD       LYS  32   3.988   9.048  -1.804
  237   2HD   LYS  32          2HD       LYS  32   4.211   8.084  -0.350
  238   1HE   LYS  32          1HE       LYS  32   4.343   5.971  -1.782
  239   2HE   LYS  32          2HE       LYS  32   4.068   6.943  -3.235
  240   1HZ   LYS  32          3HZ       LYS  32   6.137   8.145  -2.742
  241   2HZ   LYS  32          1HZ       LYS  32   6.386   7.239  -1.383
  242   3HZ   LYS  32          2HZ       LYS  32   6.419   6.523  -2.872
  243    H    CYS  33           H        CYS  33  -0.876   4.516  -1.539
  244    HA   CYS  33           HA       CYS  33  -1.560   2.784   0.692
  245   1HB   CYS  33          1HB       CYS  33  -1.284   2.238  -2.326
  246   2HB   CYS  33          2HB       CYS  33  -1.869   1.009  -1.191
  247    H    HIS  34           H        HIS  34  -0.495   1.234   1.791
  248    HA   HIS  34           HA       HIS  34   2.016  -0.066   0.583
  249   1HB   HIS  34          1HB       HIS  34   1.583   0.803   3.504
  250   2HB   HIS  34          2HB       HIS  34   2.700  -0.465   3.060
  251    HD1  HIS  34           HD1      HIS  34   5.118   0.227   2.227
  252    HD2  HIS  34           HD2      HIS  34   2.188   3.363   2.314
  253    HE1  HIS  34           HE1      HIS  34   6.228   2.507   1.776
  254    HE2  HIS  34           HE2      HIS  34   4.551   4.465   1.800
  255    H    CYS  35           H        CYS  35   1.378  -1.963  -0.042
  256    HA   CYS  35           HA       CYS  35  -0.871  -3.475   1.221
  257   1HB   CYS  35          1HB       CYS  35   1.005  -4.239  -1.107
  258   2HB   CYS  35          2HB       CYS  35  -0.423  -5.162  -0.578
  259    H    THR  36           H        THR  36  -0.730  -5.356   2.381
  260    HA   THR  36           HA       THR  36   1.932  -6.062   3.672
  261    HB   THR  36           HB       THR  36  -0.919  -6.953   4.401
  262    HG1  THR  36           HG1      THR  36  -0.450  -4.758   4.718
  263   1HG2  THR  36          3HG2      THR  36   1.722  -7.313   5.970
  264   2HG2  THR  36          1HG2      THR  36   0.086  -7.671   6.581
  265   3HG2  THR  36          2HG2      THR  36   0.758  -8.624   5.240
  266    HA   PRO  37           HA       PRO  37   1.651  -9.200   0.286
  267   1HB   PRO  37          1HB       PRO  37   4.244 -10.175   0.256
  268   2HB   PRO  37          2HB       PRO  37   3.798  -8.554  -0.288
  269   1HG   PRO  37          1HG       PRO  37   4.920  -9.354   2.448
  270   2HG   PRO  37          2HG       PRO  37   5.477  -8.042   1.380
  271   1HD   PRO  37          1HD       PRO  37   3.743  -7.578   3.493
  272   2HD   PRO  37          2HD       PRO  37   3.636  -6.633   1.981
  273    H    LYS  38           H        LYS  38   1.319 -11.329  -0.048
  274    HA   LYS  38           HA       LYS  38   1.258 -13.207   2.354
  275   1HB   LYS  38          1HB       LYS  38  -0.228 -14.662   1.118
  276   2HB   LYS  38          2HB       LYS  38  -0.873 -13.051   1.286
  277   1HG   LYS  38          1HG       LYS  38  -0.284 -12.551  -1.140
  278   2HG   LYS  38          2HG       LYS  38   0.372 -14.171  -1.298
  279   1HD   LYS  38          1HD       LYS  38  -1.802 -14.229  -2.264
  280   2HD   LYS  38          2HD       LYS  38  -1.889 -15.167  -0.777
  281   1HE   LYS  38          1HE       LYS  38  -3.008 -13.184   0.390
  282   2HE   LYS  38          2HE       LYS  38  -2.873 -12.244  -1.099
  283   1HZ   LYS  38          1HZ       LYS  38  -4.290 -13.887  -2.204
  284   2HZ   LYS  38          2HZ       LYS  38  -4.413 -14.773  -0.817
  285   3HZ   LYS  38          3HZ       LYS  38  -5.051 -13.253  -0.883
   
  No H/Q in entry =         285
  Start of MODEL           9
 Raw file had  289 H/Q atoms
  Start of MODEL    9
    1   1H    GLY   1          3H        GLY   1   6.121  -4.574   3.741
    2   2H    GLY   1          1H        GLY   1   4.775  -4.340   4.670
    3   3H    GLY   1          2H        GLY   1   4.631  -4.981   3.154
    4   1HA   GLY   1          2HA       GLY   1   3.921  -2.632   3.189
    5   2HA   GLY   1          1HA       GLY   1   5.515  -2.206   3.805
    6    H    VAL   2           H        VAL   2   3.712  -3.236   1.036
    7    HA   VAL   2           HA       VAL   2   6.136  -2.940  -0.827
    8    HB   VAL   2           HB       VAL   2   3.486  -4.402  -1.337
    9   1HG1  VAL   2          1HG2      VAL   2   5.924  -4.070  -3.216
   10   2HG1  VAL   2          2HG2      VAL   2   4.528  -5.138  -3.511
   11   3HG1  VAL   2          3HG2      VAL   2   4.303  -3.384  -3.473
   12   1HG2  VAL   2          2HG1      VAL   2   5.055  -5.711   0.145
   13   2HG2  VAL   2          3HG1      VAL   2   4.884  -6.473  -1.443
   14   3HG2  VAL   2          1HG1      VAL   2   6.353  -5.540  -1.055
   15    HA   PRO   3           HA       PRO   3   3.684   0.992  -1.301
   16   1HB   PRO   3          1HB       PRO   3   5.592   2.584  -2.537
   17   2HB   PRO   3          2HB       PRO   3   5.571   2.187  -0.817
   18   1HG   PRO   3          1HG       PRO   3   7.216   0.847  -3.013
   19   2HG   PRO   3          2HG       PRO   3   7.771   1.405  -1.417
   20   1HD   PRO   3          2HD       PRO   3   7.132  -1.240  -1.910
   21   2HD   PRO   3          1HD       PRO   3   6.815  -0.503  -0.309
   22    H    ILE   4           H        ILE   4   2.087   0.594  -2.678
   23    HA   ILE   4           HA       ILE   4   2.556   0.456  -5.694
   24    HB   ILE   4           HB       ILE   4   0.208  -0.121  -5.972
   25   1HG1  ILE   4          1HG1      ILE   4  -0.111  -0.418  -2.920
   26   2HG1  ILE   4          2HG1      ILE   4  -0.715   0.932  -3.864
   27   1HG2  ILE   4          2HG2      ILE   4   1.941  -1.918  -5.823
   28   2HG2  ILE   4          3HG2      ILE   4   1.604  -2.115  -4.085
   29   3HG2  ILE   4          1HG2      ILE   4   0.352  -2.489  -5.293
   30   1HD1  ILE   4          2HD1      ILE   4  -2.173  -0.577  -5.229
   31   2HD1  ILE   4          3HD1      ILE   4  -1.684  -1.957  -4.210
   32   3HD1  ILE   4          1HD1      ILE   4  -2.566  -0.589  -3.494
   33    H    ASN   5           H        ASN   5   1.724   1.987  -7.016
   34    HA   ASN   5           HA       ASN   5   1.475   4.735  -5.860
   35   1HB   ASN   5          1HB       ASN   5   1.607   5.605  -8.107
   36   2HB   ASN   5          2HB       ASN   5   2.912   4.509  -7.727
   37   1HD2  ASN   5          1HD2      ASN   5   2.118   2.296 -10.470
   38   2HD2  ASN   5          2HD2      ASN   5   3.070   2.494  -8.909
   39    H    VAL   6           H        VAL   6  -0.400   4.650  -4.733
   40    HA   VAL   6           HA       VAL   6  -2.969   5.148  -6.276
   41    HB   VAL   6           HB       VAL   6  -2.764   3.058  -4.010
   42   1HG1  VAL   6          3HG2      VAL   6  -4.863   4.417  -3.707
   43   2HG1  VAL   6          1HG2      VAL   6  -5.335   4.085  -5.394
   44   3HG1  VAL   6          2HG2      VAL   6  -5.233   2.765  -4.199
   45   1HG2  VAL   6          1HG1      VAL   6  -3.663   2.712  -6.947
   46   2HG2  VAL   6          2HG1      VAL   6  -2.189   2.040  -6.204
   47   3HG2  VAL   6          3HG1      VAL   6  -3.772   1.461  -5.679
   48    H    SER   7           H        SER   7  -3.509   7.081  -5.608
   49    HA   SER   7           HA       SER   7  -2.386   8.313  -3.138
   50   1HB   SER   7          1HB       SER   7  -3.421  10.423  -3.876
   51   2HB   SER   7          2HB       SER   7  -2.445   9.670  -5.136
   52    HG   SER   7           HG       SER   7  -4.382   8.836  -6.032
   53    H    CYS   8           H        CYS   8  -3.276   8.160  -1.231
   54    HA   CYS   8           HA       CYS   8  -6.136   7.214  -0.889
   55   1HB   CYS   8          1HB       CYS   8  -3.978   7.629   1.291
   56   2HB   CYS   8          2HB       CYS   8  -5.512   6.791   1.478
   57    H    THR   9           H        THR   9  -7.530   7.976   0.575
   58    HA   THR   9           HA       THR   9  -7.259  10.815   1.690
   59    HB   THR   9           HB       THR   9  -9.142  10.728   0.140
   60    HG1  THR   9           HG1      THR   9  -9.855  10.932   2.863
   61   1HG2  THR   9          3HG2      THR   9 -10.535   8.720   2.030
   62   2HG2  THR   9          1HG2      THR   9 -11.296   9.615   0.692
   63   3HG2  THR   9          2HG2      THR   9 -10.044   8.409   0.344
   64    H    GLY  10           H        GLY  10  -8.160   7.434   2.397
   65   1HA   GLY  10          1HA       GLY  10  -7.047   7.727   5.178
   66   2HA   GLY  10          2HA       GLY  10  -8.725   7.163   5.114
   67    H    SER  11           H        SER  11  -7.616   5.322   6.184
   68    HA   SER  11           HA       SER  11  -5.872   3.459   4.691
   69   1HB   SER  11          1HB       SER  11  -7.492   2.969   7.258
   70   2HB   SER  11          2HB       SER  11  -6.371   1.813   6.537
   71    HG   SER  11           HG       SER  11  -5.394   3.108   8.092
   72    HA   PRO  12           HA       PRO  12  -9.923   0.710   3.798
   73   1HB   PRO  12          1HB       PRO  12 -11.827   3.058   3.275
   74   2HB   PRO  12          2HB       PRO  12 -12.212   1.401   3.789
   75   1HG   PRO  12          2HG       PRO  12 -12.155   3.371   5.645
   76   2HG   PRO  12          1HG       PRO  12 -11.384   1.814   6.034
   77   1HD   PRO  12          1HD       PRO  12 -10.028   4.405   5.110
   78   2HD   PRO  12          2HD       PRO  12  -9.542   3.282   6.412
   79    H    GLN  13           H        GLN  13  -9.031   3.646   2.064
   80    HA   GLN  13           HA       GLN  13  -9.968   3.000  -0.613
   81   1HB   GLN  13          1HB       GLN  13  -7.431   4.568   0.215
   82   2HB   GLN  13          2HB       GLN  13  -8.079   4.513  -1.416
   83   1HG   GLN  13          1HG       GLN  13  -9.529   5.721   1.010
   84   2HG   GLN  13          2HG       GLN  13  -8.630   6.602  -0.200
   85   1HE2  GLN  13          1HE2      GLN  13 -11.345   6.475  -2.595
   86   2HE2  GLN  13          2HE2      GLN  13  -9.551   6.806  -2.358
   87    H    CYS  14           H        CYS  14  -6.863   2.071   0.922
   88    HA   CYS  14           HA       CYS  14  -5.766   0.776  -1.502
   89   1HB   CYS  14          1HB       CYS  14  -4.924   0.477   1.457
   90   2HB   CYS  14          2HB       CYS  14  -3.933   0.077   0.040
   91    H    ILE  15           H        ILE  15  -8.096  -0.562   0.771
   92    HA   ILE  15           HA       ILE  15  -7.260  -3.306   0.869
   93    HB   ILE  15           HB       ILE  15 -10.144  -2.254   0.824
   94   1HG1  ILE  15          2HG1      ILE  15  -8.870  -1.129   2.616
   95   2HG1  ILE  15          1HG1      ILE  15 -10.175  -2.106   3.198
   96   1HG2  ILE  15          3HG2      ILE  15  -9.131  -4.982   1.847
   97   2HG2  ILE  15          1HG2      ILE  15 -10.772  -4.336   2.113
   98   3HG2  ILE  15          2HG2      ILE  15 -10.217  -4.690   0.474
   99   1HD1  ILE  15          3HD1      ILE  15  -7.196  -2.927   3.298
  100   2HD1  ILE  15          1HD1      ILE  15  -8.144  -2.284   4.657
  101   3HD1  ILE  15          2HD1      ILE  15  -8.536  -3.881   3.979
  102    H    LYS  16           H        LYS  16  -9.599  -1.931  -1.574
  103    HA   LYS  16           HA       LYS  16  -9.820  -4.336  -3.162
  104   1HB   LYS  16          1HB       LYS  16 -10.345  -1.363  -3.778
  105   2HB   LYS  16          2HB       LYS  16 -10.487  -2.586  -5.003
  106   1HG   LYS  16          1HG       LYS  16 -12.664  -2.262  -4.243
  107   2HG   LYS  16          2HG       LYS  16 -12.197  -3.844  -3.645
  108   1HD   LYS  16          1HD       LYS  16 -11.827  -2.895  -1.350
  109   2HD   LYS  16          2HD       LYS  16 -12.155  -1.265  -1.919
  110   1HE   LYS  16          1HE       LYS  16 -14.201  -3.597  -1.965
  111   2HE   LYS  16          2HE       LYS  16 -14.058  -2.420  -0.663
  112   1HZ   LYS  16          2HZ       LYS  16 -14.606  -0.649  -2.240
  113   2HZ   LYS  16          3HZ       LYS  16 -14.746  -1.737  -3.477
  114   3HZ   LYS  16          1HZ       LYS  16 -15.797  -1.793  -2.203
  115    HA   PRO  17           HA       PRO  17  -6.294  -2.931  -6.221
  116   1HB   PRO  17          1HB       PRO  17  -4.390  -1.058  -5.416
  117   2HB   PRO  17          2HB       PRO  17  -5.872  -0.663  -6.282
  118   1HG   PRO  17          1HG       PRO  17  -5.421  -0.512  -3.293
  119   2HG   PRO  17          2HG       PRO  17  -6.130   0.724  -4.360
  120   1HD   PRO  17          1HD       PRO  17  -7.746  -0.898  -2.912
  121   2HD   PRO  17          2HD       PRO  17  -8.208  -0.499  -4.586
  122    H    CYS  18           H        CYS  18  -5.140  -2.860  -2.780
  123    HA   CYS  18           HA       CYS  18  -2.782  -4.561  -3.179
  124   1HB   CYS  18          1HB       CYS  18  -4.507  -4.030  -0.674
  125   2HB   CYS  18          2HB       CYS  18  -3.055  -5.027  -0.652
  126    H    LYS  19           H        LYS  19  -6.029  -5.502  -1.947
  127    HA   LYS  19           HA       LYS  19  -5.542  -8.350  -1.786
  128   1HB   LYS  19          2HB       LYS  19  -7.285  -7.057  -0.584
  129   2HB   LYS  19          1HB       LYS  19  -8.169  -6.761  -2.059
  130   1HG   LYS  19          2HG       LYS  19  -7.661  -9.609  -1.006
  131   2HG   LYS  19          1HG       LYS  19  -8.916  -8.596  -0.327
  132   1HD   LYS  19          1HD       LYS  19  -8.808  -9.493  -3.263
  133   2HD   LYS  19          2HD       LYS  19  -9.791 -10.193  -1.982
  134   1HE   LYS  19          1HE       LYS  19 -11.029  -7.979  -1.715
  135   2HE   LYS  19          2HE       LYS  19 -10.091  -7.307  -3.057
  136   1HZ   LYS  19          2HZ       LYS  19 -11.880  -9.675  -3.251
  137   2HZ   LYS  19          3HZ       LYS  19 -12.210  -8.156  -3.813
  138   3HZ   LYS  19          1HZ       LYS  19 -10.998  -9.046  -4.498
  139    H    ASP  20           H        ASP  20  -7.313  -6.622  -4.400
  140    HA   ASP  20           HA       ASP  20  -7.521  -8.965  -6.153
  141   1HB   ASP  20          1HB       ASP  20  -7.705  -5.966  -6.873
  142   2HB   ASP  20          2HB       ASP  20  -8.036  -7.259  -8.005
  143    H    ALA  21           H        ALA  21  -4.831  -6.614  -5.924
  144    HA   ALA  21           HA       ALA  21  -3.437  -7.521  -8.376
  145   1HB   ALA  21          2HB       ALA  21  -2.847  -5.350  -7.334
  146   2HB   ALA  21          3HB       ALA  21  -2.288  -6.162  -5.850
  147   3HB   ALA  21          1HB       ALA  21  -1.418  -6.399  -7.382
  148    H    GLY  22           H        GLY  22  -2.893  -8.379  -4.928
  149   1HA   GLY  22          2HA       GLY  22  -2.743 -11.117  -5.001
  150   2HA   GLY  22          1HA       GLY  22  -1.159 -10.765  -5.687
  151    H    MET  23           H        MET  23  -2.948  -9.212  -3.004
  152    HA   MET  23           HA       MET  23  -0.871 -10.194  -0.976
  153   1HB   MET  23          1HB       MET  23  -1.762  -7.238  -1.336
  154   2HB   MET  23          2HB       MET  23  -0.844  -7.851   0.016
  155   1HG   MET  23          1HG       MET  23   0.910  -7.047  -1.187
  156   2HG   MET  23          2HG       MET  23   0.923  -8.690  -1.822
  157   1HE   MET  23          3HE       MET  23   2.426  -7.426  -3.753
  158   2HE   MET  23          2HE       MET  23   1.767  -6.155  -4.829
  159   3HE   MET  23          1HE       MET  23   2.055  -5.802  -3.100
  160    H    ARG  24           H        ARG  24  -1.611  -9.298   1.259
  161    HA   ARG  24           HA       ARG  24  -4.303 -10.615   1.791
  162   1HB   ARG  24          1HB       ARG  24  -2.155  -9.721   3.802
  163   2HB   ARG  24          2HB       ARG  24  -3.679 -10.487   4.212
  164   1HG   ARG  24          1HG       ARG  24  -3.042 -12.549   2.948
  165   2HG   ARG  24          2HG       ARG  24  -1.505 -11.828   2.495
  166   1HD   ARG  24          2HD       ARG  24  -2.398 -12.341   5.415
  167   2HD   ARG  24          1HD       ARG  24  -1.404 -13.442   4.454
  168    HE   ARG  24           HE       ARG  24  -0.110 -10.809   4.473
  169   1HH1  ARG  24          2HH2      ARG  24  -0.702 -13.568   6.635
  170   2HH1  ARG  24          1HH2      ARG  24   0.811 -13.162   7.591
  171   1HH2  ARG  24          1HH1      ARG  24   1.591 -10.440   5.631
  172   2HH2  ARG  24          2HH1      ARG  24   2.019 -11.511   7.059
  173    H    PHE  25           H        PHE  25  -2.664  -7.623   2.990
  174    HA   PHE  25           HA       PHE  25  -5.435  -6.333   3.320
  175   1HB   PHE  25          1HB       PHE  25  -3.005  -5.866   5.164
  176   2HB   PHE  25          2HB       PHE  25  -4.613  -5.236   5.361
  177    HD1  PHE  25           HD2      PHE  25  -6.590  -6.894   5.803
  178    HD2  PHE  25           HD1      PHE  25  -2.456  -8.049   6.123
  179    HE1  PHE  25           HE2      PHE  25  -7.227  -8.857   7.148
  180    HE2  PHE  25           HE1      PHE  25  -3.111 -10.002   7.461
  181    HZ   PHE  25           HZ       PHE  25  -5.494 -10.414   7.975
  182    H    GLY  26           H        GLY  26  -5.434  -4.066   3.437
  183   1HA   GLY  26          1HA       GLY  26  -3.337  -2.595   1.696
  184   2HA   GLY  26          2HA       GLY  26  -5.058  -2.325   1.528
  185    H    LYS  27           H        LYS  27  -2.277  -1.690   3.422
  186    HA   LYS  27           HA       LYS  27  -3.846   0.045   5.410
  187   1HB   LYS  27          1HB       LYS  27  -1.895  -0.197   6.975
  188   2HB   LYS  27          2HB       LYS  27  -2.921  -1.573   6.718
  189   1HG   LYS  27          2HG       LYS  27  -0.932  -2.640   6.835
  190   2HG   LYS  27          1HG       LYS  27  -1.080  -2.528   5.100
  191   1HD   LYS  27          1HD       LYS  27   0.491  -0.468   5.191
  192   2HD   LYS  27          2HD       LYS  27   0.628  -0.721   6.930
  193   1HE   LYS  27          1HE       LYS  27   1.545  -3.079   6.468
  194   2HE   LYS  27          2HE       LYS  27   1.445  -2.753   4.731
  195   1HZ   LYS  27          3HZ       LYS  27   3.001  -0.898   5.053
  196   2HZ   LYS  27          1HZ       LYS  27   3.091  -1.205   6.674
  197   3HZ   LYS  27          2HZ       LYS  27   3.658  -2.316   5.591
  198    H    CYS  28           H        CYS  28  -3.709   2.102   5.001
  199    HA   CYS  28           HA       CYS  28  -1.640   3.060   3.016
  200   1HB   CYS  28          1HB       CYS  28  -4.192   3.350   2.647
  201   2HB   CYS  28          2HB       CYS  28  -4.084   4.719   3.763
  202    H    MET  29           H        MET  29  -0.089   4.352   3.487
  203    HA   MET  29           HA       MET  29   0.162   5.905   6.094
  204   1HB   MET  29          1HB       MET  29   2.072   5.392   3.710
  205   2HB   MET  29          2HB       MET  29   2.431   6.580   4.939
  206   1HG   MET  29          1HG       MET  29   3.611   4.555   5.504
  207   2HG   MET  29          2HG       MET  29   2.411   4.910   6.758
  208   1HE   MET  29          1HE       MET  29   2.725   2.496   7.684
  209   2HE   MET  29          3HE       MET  29   2.411   0.997   6.766
  210   3HE   MET  29          2HE       MET  29   3.850   1.987   6.383
  211    H    ASN  30           H        ASN  30   1.436   8.225   5.140
  212    HA   ASN  30           HA       ASN  30  -0.940   9.914   4.828
  213   1HB   ASN  30          1HB       ASN  30   2.044  10.662   4.628
  214   2HB   ASN  30          2HB       ASN  30   0.740  11.833   4.570
  215   1HD2  ASN  30          1HD2      ASN  30   0.154  11.714   8.128
  216   2HD2  ASN  30          2HD2      ASN  30  -0.535  12.222   6.498
  217    H    ARG  31           H        ARG  31  -2.025   9.633   3.081
  218    HA   ARG  31           HA       ARG  31  -2.785   9.511   0.896
  219   1HB   ARG  31          1HB       ARG  31  -0.597  11.573   0.230
  220   2HB   ARG  31          2HB       ARG  31  -1.953  11.129  -0.800
  221   1HG   ARG  31          1HG       ARG  31  -3.550  11.852   1.090
  222   2HG   ARG  31          2HG       ARG  31  -2.155  12.530   1.922
  223   1HD   ARG  31          1HD       ARG  31  -1.693  14.048  -0.026
  224   2HD   ARG  31          2HD       ARG  31  -3.003  13.332  -0.955
  225    HE   ARG  31           HE       ARG  31  -3.260  15.302   1.301
  226   1HH1  ARG  31          2HH2      ARG  31  -5.061  12.936  -0.655
  227   2HH1  ARG  31          1HH2      ARG  31  -6.641  13.769  -0.230
  228   1HH2  ARG  31          1HH1      ARG  31  -5.113  16.165   1.717
  229   2HH2  ARG  31          2HH1      ARG  31  -6.664  15.472   1.021
  230    H    LYS  32           H        LYS  32  -0.570   7.515   1.597
  231    HA   LYS  32           HA       LYS  32  -0.001   6.627  -1.290
  232   1HB   LYS  32          1HB       LYS  32   2.136   6.890   0.935
  233   2HB   LYS  32          2HB       LYS  32   2.359   5.976  -0.556
  234   1HG   LYS  32          1HG       LYS  32   1.976   8.059  -1.922
  235   2HG   LYS  32          2HG       LYS  32   1.831   9.002  -0.437
  236   1HD   LYS  32          1HD       LYS  32   4.153   8.312   0.250
  237   2HD   LYS  32          2HD       LYS  32   4.339   7.364  -1.219
  238   1HE   LYS  32          1HE       LYS  32   3.863  10.428  -1.154
  239   2HE   LYS  32          2HE       LYS  32   5.446   9.662  -1.252
  240   1HZ   LYS  32          1HZ       LYS  32   4.795   8.655  -3.371
  241   2HZ   LYS  32          2HZ       LYS  32   3.304   9.364  -3.297
  242   3HZ   LYS  32          3HZ       LYS  32   4.658  10.301  -3.435
  243    H    CYS  33           H        CYS  33  -0.746   4.668  -1.502
  244    HA   CYS  33           HA       CYS  33  -1.487   2.840   0.640
  245   1HB   CYS  33          1HB       CYS  33  -1.169   2.468  -2.398
  246   2HB   CYS  33          2HB       CYS  33  -1.704   1.143  -1.350
  247    H    HIS  34           H        HIS  34  -0.513   1.183   1.631
  248    HA   HIS  34           HA       HIS  34   2.032  -0.073   0.464
  249   1HB   HIS  34          1HB       HIS  34   1.577   0.728   3.409
  250   2HB   HIS  34          2HB       HIS  34   2.728  -0.501   2.929
  251    HD1  HIS  34           HD1      HIS  34   5.114   0.257   2.018
  252    HD2  HIS  34           HD2      HIS  34   2.170   3.346   2.487
  253    HE1  HIS  34           HE1      HIS  34   6.202   2.579   1.777
  254    HE2  HIS  34           HE2      HIS  34   4.516   4.512   2.041
  255    H    CYS  35           H        CYS  35   1.506  -2.044  -0.049
  256    HA   CYS  35           HA       CYS  35  -0.821  -3.504   1.146
  257   1HB   CYS  35          1HB       CYS  35   1.206  -4.476  -0.970
  258   2HB   CYS  35          2HB       CYS  35  -0.338  -5.237  -0.527
  259    H    THR  36           H        THR  36  -0.736  -5.484   2.194
  260    HA   THR  36           HA       THR  36   1.862  -6.191   3.674
  261    HB   THR  36           HB       THR  36  -1.036  -6.865   4.430
  262    HG1  THR  36           HG1      THR  36  -0.456  -4.680   4.625
  263   1HG2  THR  36          3HG2      THR  36   1.585  -7.266   6.025
  264   2HG2  THR  36          1HG2      THR  36  -0.065  -7.509   6.650
  265   3HG2  THR  36          2HG2      THR  36   0.556  -8.563   5.364
  266    HA   PRO  37           HA       PRO  37   1.232  -9.446   0.370
  267   1HB   PRO  37          1HB       PRO  37   3.841 -10.401   0.138
  268   2HB   PRO  37          2HB       PRO  37   3.276  -8.870  -0.539
  269   1HG   PRO  37          2HG       PRO  37   4.722  -9.301   2.130
  270   2HG   PRO  37          1HG       PRO  37   5.129  -8.135   0.847
  271   1HD   PRO  37          1HD       PRO  37   3.658  -7.370   3.031
  272   2HD   PRO  37          2HD       PRO  37   3.263  -6.710   1.413
  273    H    LYS  38           H        LYS  38   1.097 -11.643   0.171
  274    HA   LYS  38           HA       LYS  38   0.707 -13.174   2.713
  275   1HB   LYS  38          1HB       LYS  38  -0.849 -13.166   0.638
  276   2HB   LYS  38          2HB       LYS  38   0.307 -14.177  -0.185
  277   1HG   LYS  38          1HG       LYS  38  -1.162 -14.842   2.455
  278   2HG   LYS  38          2HG       LYS  38  -1.708 -15.325   0.867
  279   1HD   LYS  38          1HD       LYS  38   0.859 -16.324   2.245
  280   2HD   LYS  38          2HD       LYS  38  -0.667 -17.178   2.129
  281   1HE   LYS  38          1HE       LYS  38  -0.468 -17.255  -0.404
  282   2HE   LYS  38          2HE       LYS  38   1.085 -16.414  -0.306
  283   1HZ   LYS  38          3HZ       LYS  38   0.499 -19.059   0.931
  284   2HZ   LYS  38          1HZ       LYS  38   1.387 -18.801  -0.438
  285   3HZ   LYS  38          2HZ       LYS  38   1.946 -18.269   1.022
   
  No H/Q in entry =         285
  Start of MODEL          10
 Raw file had  289 H/Q atoms
  Start of MODEL   10
    1   1H    GLY   1          1H        GLY   1   5.566  -4.044   4.927
    2   2H    GLY   1          2H        GLY   1   4.020  -4.111   5.506
    3   3H    GLY   1          3H        GLY   1   4.377  -4.755   4.027
    4   1HA   GLY   1          1HA       GLY   1   3.204  -2.607   3.798
    5   2HA   GLY   1          2HA       GLY   1   4.481  -1.863   4.749
    6    H    VAL   2           H        VAL   2   3.744  -3.420   1.690
    7    HA   VAL   2           HA       VAL   2   6.390  -2.536   0.481
    8    HB   VAL   2           HB       VAL   2   5.830  -3.829  -1.538
    9   1HG1  VAL   2          3HG2      VAL   2   7.289  -4.773   0.259
   10   2HG1  VAL   2          1HG2      VAL   2   5.875  -5.521   1.038
   11   3HG1  VAL   2          2HG2      VAL   2   6.387  -6.044  -0.586
   12   1HG2  VAL   2          2HG1      VAL   2   3.337  -4.054  -1.475
   13   2HG2  VAL   2          3HG1      VAL   2   4.107  -5.646  -1.512
   14   3HG2  VAL   2          1HG1      VAL   2   3.438  -5.023   0.011
   15    HA   PRO   3           HA       PRO   3   3.919   1.072  -0.812
   16   1HB   PRO   3          1HB       PRO   3   5.847   2.560  -2.158
   17   2HB   PRO   3          2HB       PRO   3   5.772   2.360  -0.407
   18   1HG   PRO   3          1HG       PRO   3   7.513   0.806  -2.376
   19   2HG   PRO   3          2HG       PRO   3   8.004   1.566  -0.842
   20   1HD   PRO   3          1HD       PRO   3   7.435  -1.129  -1.011
   21   2HD   PRO   3          2HD       PRO   3   7.022  -0.202   0.464
   22    H    ILE   4           H        ILE   4   2.392   0.771  -2.242
   23    HA   ILE   4           HA       ILE   4   3.048   0.514  -5.229
   24    HB   ILE   4           HB       ILE   4   0.841  -0.301  -5.714
   25   1HG1  ILE   4          2HG1      ILE   4   0.198  -0.591  -2.715
   26   2HG1  ILE   4          1HG1      ILE   4  -0.425   0.669  -3.767
   27   1HG2  ILE   4          2HG2      ILE   4   2.711  -1.925  -5.330
   28   2HG2  ILE   4          3HG2      ILE   4   2.182  -2.145  -3.645
   29   3HG2  ILE   4          1HG2      ILE   4   1.128  -2.642  -4.988
   30   1HD1  ILE   4          2HD1      ILE   4  -1.579  -1.007  -5.232
   31   2HD1  ILE   4          3HD1      ILE   4  -1.051  -2.312  -4.136
   32   3HD1  ILE   4          1HD1      ILE   4  -2.141  -1.037  -3.546
   33    H    ASN   5           H        ASN   5   2.348   2.103  -6.533
   34    HA   ASN   5           HA       ASN   5   1.650   4.713  -5.246
   35   1HB   ASN   5          1HB       ASN   5   2.047   5.782  -7.365
   36   2HB   ASN   5          2HB       ASN   5   3.382   4.775  -6.859
   37   1HD2  ASN   5          1HD2      ASN   5   3.247   2.750  -9.849
   38   2HD2  ASN   5          2HD2      ASN   5   3.915   2.884  -8.140
   39    H    VAL   6           H        VAL   6  -0.349   4.486  -4.474
   40    HA   VAL   6           HA       VAL   6  -2.696   4.672  -6.408
   41    HB   VAL   6           HB       VAL   6  -2.602   2.693  -4.038
   42   1HG1  VAL   6          3HG2      VAL   6  -4.863   3.771  -4.121
   43   2HG1  VAL   6          1HG2      VAL   6  -5.015   3.366  -5.851
   44   3HG1  VAL   6          2HG2      VAL   6  -4.950   2.078  -4.619
   45   1HG2  VAL   6          1HG1      VAL   6  -2.971   2.153  -7.061
   46   2HG2  VAL   6          2HG1      VAL   6  -1.561   1.696  -6.074
   47   3HG2  VAL   6          3HG1      VAL   6  -3.126   0.933  -5.769
   48    H    SER   7           H        SER   7  -3.504   6.563  -5.925
   49    HA   SER   7           HA       SER   7  -2.707   8.090  -3.557
   50   1HB   SER   7          1HB       SER   7  -4.020   9.966  -4.474
   51   2HB   SER   7          2HB       SER   7  -2.951   9.228  -5.664
   52    HG   SER   7           HG       SER   7  -5.734   8.729  -5.377
   53    H    CYS   8           H        CYS   8  -3.510   7.868  -1.635
   54    HA   CYS   8           HA       CYS   8  -6.187   6.669  -1.093
   55   1HB   CYS   8          1HB       CYS   8  -4.113   7.749   0.928
   56   2HB   CYS   8          2HB       CYS   8  -5.499   6.697   1.286
   57    H    THR   9           H        THR   9  -7.774   7.402   0.183
   58    HA   THR   9           HA       THR   9  -7.790  10.205   1.331
   59    HB   THR   9           HB       THR   9  -8.946  10.569  -0.755
   60    HG1  THR   9           HG1      THR   9  -9.609  11.556   1.152
   61   1HG2  THR   9          2HG2      THR   9  -9.933   8.322  -1.331
   62   2HG2  THR   9          3HG2      THR   9 -11.103   8.497   0.001
   63   3HG2  THR   9          1HG2      THR   9 -11.136   9.628  -1.368
   64    H    GLY  10           H        GLY  10  -7.033   8.590   2.917
   65   1HA   GLY  10          1HA       GLY  10  -7.863   7.885   5.224
   66   2HA   GLY  10          2HA       GLY  10  -9.319   7.237   4.488
   67    H    SER  11           H        SER  11  -7.587   5.813   6.141
   68    HA   SER  11           HA       SER  11  -5.801   3.996   4.667
   69   1HB   SER  11          1HB       SER  11  -6.979   3.687   7.486
   70   2HB   SER  11          2HB       SER  11  -5.804   2.584   6.762
   71    HG   SER  11           HG       SER  11  -4.428   4.365   6.430
   72    HA   PRO  12           HA       PRO  12  -9.449   0.627   4.595
   73   1HB   PRO  12          1HB       PRO  12 -11.749   2.619   4.197
   74   2HB   PRO  12          2HB       PRO  12 -11.792   0.982   4.890
   75   1HG   PRO  12          1HG       PRO  12 -11.803   3.120   6.555
   76   2HG   PRO  12          2HG       PRO  12 -10.757   1.735   6.952
   77   1HD   PRO  12          2HD       PRO  12  -9.948   4.386   5.631
   78   2HD   PRO  12          1HD       PRO  12  -9.135   3.488   6.947
   79    H    GLN  13           H        GLN  13  -9.232   3.523   2.625
   80    HA   GLN  13           HA       GLN  13 -10.328   2.629   0.098
   81   1HB   GLN  13          1HB       GLN  13  -7.906   4.491   0.597
   82   2HB   GLN  13          2HB       GLN  13  -8.709   4.312  -0.946
   83   1HG   GLN  13          2HG       GLN  13  -9.944   5.486   1.602
   84   2HG   GLN  13          1HG       GLN  13  -9.392   6.360   0.193
   85   1HE2  GLN  13          1HE2      GLN  13 -13.200   5.609   0.093
   86   2HE2  GLN  13          2HE2      GLN  13 -12.120   5.911   1.554
   87    H    CYS  14           H        CYS  14  -7.056   2.005   1.397
   88    HA   CYS  14           HA       CYS  14  -5.979   0.794  -1.075
   89   1HB   CYS  14          1HB       CYS  14  -5.031   0.727   1.866
   90   2HB   CYS  14          2HB       CYS  14  -4.074   0.142   0.493
   91    H    ILE  15           H        ILE  15  -8.067  -0.703   1.284
   92    HA   ILE  15           HA       ILE  15  -6.983  -3.378   1.317
   93    HB   ILE  15           HB       ILE  15  -9.906  -2.549   1.710
   94   1HG1  ILE  15          1HG1      ILE  15  -7.695  -2.994   3.828
   95   2HG1  ILE  15          2HG1      ILE  15  -8.223  -1.420   3.283
   96   1HG2  ILE  15          2HG2      ILE  15  -9.726  -5.033   1.310
   97   2HG2  ILE  15          3HG2      ILE  15  -8.493  -5.165   2.586
   98   3HG2  ILE  15          1HG2      ILE  15 -10.169  -4.709   2.982
   99   1HD1  ILE  15          2HD1      ILE  15 -10.558  -1.837   4.131
  100   2HD1  ILE  15          3HD1      ILE  15  -9.999  -3.386   4.827
  101   3HD1  ILE  15          1HD1      ILE  15  -9.302  -1.854   5.396
  102    H    LYS  16           H        LYS  16  -9.590  -2.146  -0.900
  103    HA   LYS  16           HA       LYS  16  -9.650  -4.636  -2.474
  104   1HB   LYS  16          1HB       LYS  16 -11.592  -3.160  -2.278
  105   2HB   LYS  16          2HB       LYS  16 -10.812  -1.882  -3.182
  106   1HG   LYS  16          1HG       LYS  16 -10.698  -3.356  -5.208
  107   2HG   LYS  16          2HG       LYS  16 -11.376  -4.707  -4.314
  108   1HD   LYS  16          1HD       LYS  16 -12.810  -2.026  -4.851
  109   2HD   LYS  16          2HD       LYS  16 -12.998  -3.458  -5.836
  110   1HE   LYS  16          1HE       LYS  16 -13.826  -3.265  -2.857
  111   2HE   LYS  16          2HE       LYS  16 -14.904  -3.078  -4.233
  112   1HZ   LYS  16          1HZ       LYS  16 -14.416  -5.371  -4.889
  113   2HZ   LYS  16          2HZ       LYS  16 -13.394  -5.565  -3.605
  114   3HZ   LYS  16          3HZ       LYS  16 -15.006  -5.314  -3.347
  115    HA   PRO  17           HA       PRO  17  -6.615  -2.396  -5.757
  116   1HB   PRO  17          1HB       PRO  17  -5.159  -0.656  -3.685
  117   2HB   PRO  17          2HB       PRO  17  -5.315  -0.410  -5.440
  118   1HG   PRO  17          2HG       PRO  17  -6.928   0.975  -3.745
  119   2HG   PRO  17          1HG       PRO  17  -7.626   0.277  -5.227
  120   1HD   PRO  17          1HD       PRO  17  -7.806  -0.799  -2.373
  121   2HD   PRO  17          2HD       PRO  17  -9.064  -0.718  -3.639
  122    H    CYS  18           H        CYS  18  -5.468  -2.932  -2.393
  123    HA   CYS  18           HA       CYS  18  -3.024  -4.439  -3.043
  124   1HB   CYS  18          1HB       CYS  18  -4.814  -4.448  -0.526
  125   2HB   CYS  18          2HB       CYS  18  -3.285  -5.326  -0.653
  126    H    LYS  19           H        LYS  19  -6.333  -5.627  -2.215
  127    HA   LYS  19           HA       LYS  19  -5.887  -8.460  -2.596
  128   1HB   LYS  19          1HB       LYS  19  -7.855  -7.373  -1.459
  129   2HB   LYS  19          2HB       LYS  19  -8.435  -6.779  -3.006
  130   1HG   LYS  19          2HG       LYS  19  -8.754  -9.194  -3.779
  131   2HG   LYS  19          1HG       LYS  19  -8.165  -9.746  -2.218
  132   1HD   LYS  19          1HD       LYS  19 -10.593  -9.854  -2.211
  133   2HD   LYS  19          2HD       LYS  19 -10.078  -8.650  -1.052
  134   1HE   LYS  19          1HE       LYS  19 -12.061  -7.831  -2.211
  135   2HE   LYS  19          2HE       LYS  19 -10.714  -6.792  -2.646
  136   1HZ   LYS  19          1HZ       LYS  19 -11.813  -8.988  -4.340
  137   2HZ   LYS  19          2HZ       LYS  19 -12.045  -7.369  -4.573
  138   3HZ   LYS  19          3HZ       LYS  19 -10.540  -8.023  -4.763
  139    H    ASP  20           H        ASP  20  -7.186  -6.153  -5.033
  140    HA   ASP  20           HA       ASP  20  -7.248  -8.085  -7.243
  141   1HB   ASP  20          1HB       ASP  20  -7.227  -4.994  -7.271
  142   2HB   ASP  20          2HB       ASP  20  -7.388  -5.959  -8.724
  143    H    ALA  21           H        ALA  21  -4.581  -5.968  -6.182
  144    HA   ALA  21           HA       ALA  21  -2.821  -6.521  -8.521
  145   1HB   ALA  21          2HB       ALA  21  -2.441  -4.524  -7.084
  146   2HB   ALA  21          3HB       ALA  21  -2.107  -5.555  -5.671
  147   3HB   ALA  21          1HB       ALA  21  -1.009  -5.570  -7.070
  148    H    GLY  22           H        GLY  22  -2.905  -7.870  -5.195
  149   1HA   GLY  22          1HA       GLY  22  -2.771 -10.542  -5.427
  150   2HA   GLY  22          2HA       GLY  22  -1.148 -10.239  -6.035
  151    H    MET  23           H        MET  23  -3.031  -8.884  -3.309
  152    HA   MET  23           HA       MET  23  -0.983  -9.893  -1.288
  153   1HB   MET  23          1HB       MET  23  -1.867  -6.929  -1.558
  154   2HB   MET  23          2HB       MET  23  -0.941  -7.597  -0.228
  155   1HG   MET  23          2HG       MET  23   0.797  -6.719  -1.404
  156   2HG   MET  23          1HG       MET  23   0.826  -8.327  -2.125
  157   1HE   MET  23          3HE       MET  23   2.303  -6.937  -3.971
  158   2HE   MET  23          2HE       MET  23   1.625  -5.638  -5.000
  159   3HE   MET  23          1HE       MET  23   1.906  -5.345  -3.257
  160    H    ARG  24           H        ARG  24  -1.659  -9.439   0.940
  161    HA   ARG  24           HA       ARG  24  -4.444 -10.488   1.354
  162   1HB   ARG  24          1HB       ARG  24  -2.445 -11.565   2.376
  163   2HB   ARG  24          2HB       ARG  24  -2.068 -10.106   3.272
  164   1HG   ARG  24          2HG       ARG  24  -4.189 -10.314   4.579
  165   2HG   ARG  24          1HG       ARG  24  -4.671 -11.693   3.600
  166   1HD   ARG  24          1HD       ARG  24  -3.813 -12.423   5.792
  167   2HD   ARG  24          2HD       ARG  24  -2.821 -13.081   4.493
  168    HE   ARG  24           HE       ARG  24  -1.409 -10.737   5.214
  169   1HH1  ARG  24          2HH2      ARG  24  -2.493 -13.598   7.022
  170   2HH1  ARG  24          1HH2      ARG  24  -1.072 -13.426   8.171
  171   1HH2  ARG  24          1HH1      ARG  24   0.151 -10.620   6.588
  172   2HH2  ARG  24          2HH1      ARG  24   0.325 -11.849   7.939
  173    H    PHE  25           H        PHE  25  -2.662  -7.964   3.254
  174    HA   PHE  25           HA       PHE  25  -5.316  -6.496   3.623
  175   1HB   PHE  25          1HB       PHE  25  -2.717  -6.137   5.239
  176   2HB   PHE  25          2HB       PHE  25  -4.268  -5.427   5.587
  177    HD1  PHE  25           HD2      PHE  25  -6.323  -7.324   5.748
  178    HD2  PHE  25           HD1      PHE  25  -2.166  -7.950   6.680
  179    HE1  PHE  25           HE2      PHE  25  -6.926  -9.183   7.242
  180    HE2  PHE  25           HE1      PHE  25  -2.792  -9.787   8.185
  181    HZ   PHE  25           HZ       PHE  25  -5.165 -10.417   8.463
  182    H    GLY  26           H        GLY  26  -5.140  -4.159   3.899
  183   1HA   GLY  26          1HA       GLY  26  -3.063  -2.711   2.175
  184   2HA   GLY  26          2HA       GLY  26  -4.745  -2.563   1.706
  185    H    LYS  27           H        LYS  27  -2.319  -1.560   3.871
  186    HA   LYS  27           HA       LYS  27  -4.235   0.358   5.310
  187   1HB   LYS  27          1HB       LYS  27  -2.695   0.516   7.193
  188   2HB   LYS  27          2HB       LYS  27  -3.461  -1.032   7.060
  189   1HG   LYS  27          1HG       LYS  27  -0.582  -0.621   6.030
  190   2HG   LYS  27          2HG       LYS  27  -0.892  -0.781   7.736
  191   1HD   LYS  27          1HD       LYS  27  -1.651  -2.933   5.655
  192   2HD   LYS  27          2HD       LYS  27  -0.167  -2.898   6.593
  193   1HE   LYS  27          1HE       LYS  27  -1.543  -2.989   8.758
  194   2HE   LYS  27          2HE       LYS  27  -3.012  -3.148   7.786
  195   1HZ   LYS  27          1HZ       LYS  27  -0.723  -5.049   7.743
  196   2HZ   LYS  27          2HZ       LYS  27  -2.176  -5.295   8.488
  197   3HZ   LYS  27          3HZ       LYS  27  -2.097  -5.197   6.840
  198    H    CYS  28           H        CYS  28  -3.883   2.413   4.898
  199    HA   CYS  28           HA       CYS  28  -1.737   3.071   2.913
  200   1HB   CYS  28          1HB       CYS  28  -4.213   3.689   2.598
  201   2HB   CYS  28          2HB       CYS  28  -3.967   4.988   3.774
  202    H    MET  29           H        MET  29  -0.069   4.282   3.188
  203    HA   MET  29           HA       MET  29   0.451   5.911   5.727
  204   1HB   MET  29          1HB       MET  29   2.326   5.245   3.365
  205   2HB   MET  29          2HB       MET  29   2.771   6.181   4.783
  206   1HG   MET  29          1HG       MET  29   1.978   3.215   4.852
  207   2HG   MET  29          2HG       MET  29   3.611   3.878   4.999
  208   1HE   MET  29          1HE       MET  29   3.756   2.367   7.267
  209   2HE   MET  29          3HE       MET  29   2.644   2.575   8.652
  210   3HE   MET  29          2HE       MET  29   2.036   1.889   7.118
  211    H    ASN  30           H        ASN  30   2.009   7.981   4.455
  212    HA   ASN  30           HA       ASN  30  -0.182   9.907   4.244
  213   1HB   ASN  30          1HB       ASN  30   2.824  10.298   3.662
  214   2HB   ASN  30          2HB       ASN  30   1.649  11.597   3.685
  215   1HD2  ASN  30          1HD2      ASN  30   3.079  10.452   7.268
  216   2HD2  ASN  30          2HD2      ASN  30   3.707   9.749   5.687
  217    H    ARG  31           H        ARG  31  -1.489   9.667   2.652
  218    HA   ARG  31           HA       ARG  31  -2.510   9.516   0.577
  219   1HB   ARG  31          1HB       ARG  31  -0.180  11.289  -0.388
  220   2HB   ARG  31          2HB       ARG  31  -1.617  10.952  -1.332
  221   1HG   ARG  31          1HG       ARG  31  -1.619  12.452   1.346
  222   2HG   ARG  31          2HG       ARG  31  -1.692  13.163  -0.259
  223   1HD   ARG  31          1HD       ARG  31  -3.901  11.878  -0.683
  224   2HD   ARG  31          2HD       ARG  31  -3.837  11.322   0.979
  225    HE   ARG  31           HE       ARG  31  -4.310  13.545   1.832
  226   1HH1  ARG  31          2HH2      ARG  31  -4.166  13.574  -1.724
  227   2HH1  ARG  31          1HH2      ARG  31  -5.022  15.197  -1.753
  228   1HH2  ARG  31          1HH1      ARG  31  -5.274  15.383   1.674
  229   2HH2  ARG  31          2HH1      ARG  31  -5.605  16.149   0.040
  230    H    LYS  32           H        LYS  32  -0.291   7.379   1.103
  231    HA   LYS  32           HA       LYS  32  -0.426   6.226  -1.731
  232   1HB   LYS  32          1HB       LYS  32   2.220   6.502  -0.150
  233   2HB   LYS  32          2HB       LYS  32   1.975   5.394  -1.495
  234   1HG   LYS  32          1HG       LYS  32   1.359   7.383  -2.995
  235   2HG   LYS  32          2HG       LYS  32   1.763   8.442  -1.656
  236   1HD   LYS  32          1HD       LYS  32   3.685   8.480  -2.964
  237   2HD   LYS  32          2HD       LYS  32   4.154   7.425  -1.653
  238   1HE   LYS  32          1HE       LYS  32   3.187   6.434  -4.439
  239   2HE   LYS  32          2HE       LYS  32   4.869   6.774  -4.058
  240   1HZ   LYS  32          2HZ       LYS  32   4.816   5.045  -2.356
  241   2HZ   LYS  32          3HZ       LYS  32   3.236   4.702  -2.691
  242   3HZ   LYS  32          1HZ       LYS  32   4.398   4.433  -3.834
  243    H    CYS  33           H        CYS  33  -1.074   4.251  -1.676
  244    HA   CYS  33           HA       CYS  33  -1.660   2.693   0.668
  245   1HB   CYS  33          1HB       CYS  33  -1.403   1.876  -2.290
  246   2HB   CYS  33          2HB       CYS  33  -2.005   0.773  -1.042
  247    H    HIS  34           H        HIS  34  -0.640   1.202   1.848
  248    HA   HIS  34           HA       HIS  34   1.947  -0.114   0.830
  249   1HB   HIS  34          1HB       HIS  34   1.377   1.033   3.624
  250   2HB   HIS  34          2HB       HIS  34   2.442  -0.337   3.424
  251    HD1  HIS  34           HD1      HIS  34   4.946   0.294   3.249
  252    HD2  HIS  34           HD2      HIS  34   2.242   3.249   1.706
  253    HE1  HIS  34           HE1      HIS  34   6.238   2.384   2.482
  254    HE2  HIS  34           HE2      HIS  34   4.700   4.228   1.545
  255    H    CYS  35           H        CYS  35   1.281  -2.006   0.243
  256    HA   CYS  35           HA       CYS  35  -0.963  -3.499   1.549
  257   1HB   CYS  35          1HB       CYS  35   0.928  -4.339  -0.747
  258   2HB   CYS  35          2HB       CYS  35  -0.554  -5.171  -0.241
  259    H    THR  36           H        THR  36  -0.769  -5.697   2.274
  260    HA   THR  36           HA       THR  36   1.950  -6.485   3.504
  261    HB   THR  36           HB       THR  36  -0.838  -7.151   4.592
  262    HG1  THR  36           HG1      THR  36   1.260  -5.502   5.548
  263   1HG2  THR  36          3HG2      THR  36   1.952  -7.809   5.749
  264   2HG2  THR  36          1HG2      THR  36   0.391  -8.064   6.571
  265   3HG2  THR  36          2HG2      THR  36   0.783  -8.995   5.111
  266    HA   PRO  37           HA       PRO  37   1.005  -9.301  -0.076
  267   1HB   PRO  37          1HB       PRO  37   3.787 -10.344   0.700
  268   2HB   PRO  37          2HB       PRO  37   3.106 -10.093  -0.924
  269   1HG   PRO  37          2HG       PRO  37   4.754  -8.220   0.113
  270   2HG   PRO  37          1HG       PRO  37   3.247  -7.676  -0.670
  271   1HD   PRO  37          1HD       PRO  37   3.791  -7.994   2.338
  272   2HD   PRO  37          2HD       PRO  37   2.995  -6.656   1.467
  273    H    LYS  38           H        LYS  38   0.372 -11.358  -0.454
  274    HA   LYS  38           HA       LYS  38  -0.470 -12.936   1.939
  275   1HB   LYS  38          1HB       LYS  38  -1.991 -12.412  -0.042
  276   2HB   LYS  38          2HB       LYS  38  -0.990 -13.417  -1.066
  277   1HG   LYS  38          1HG       LYS  38  -2.918 -14.696  -0.505
  278   2HG   LYS  38          2HG       LYS  38  -1.584 -15.439   0.360
  279   1HD   LYS  38          1HD       LYS  38  -2.335 -14.203   2.489
  280   2HD   LYS  38          2HD       LYS  38  -3.649 -13.486   1.568
  281   1HE   LYS  38          1HE       LYS  38  -4.615 -15.297   2.796
  282   2HE   LYS  38          2HE       LYS  38  -4.592 -15.820   1.113
  283   1HZ   LYS  38          3HZ       LYS  38  -2.608 -16.619   3.200
  284   2HZ   LYS  38          1HZ       LYS  38  -3.828 -17.563   2.612
  285   3HZ   LYS  38          2HZ       LYS  38  -2.575 -17.124   1.628
   
  No H/Q in entry =         285
  Start of MODEL          11
 Raw file had  289 H/Q atoms
  Start of MODEL   11
    1   1H    GLY   1          1H        GLY   1   5.476  -4.068   5.052
    2   2H    GLY   1          2H        GLY   1   3.949  -4.466   5.542
    3   3H    GLY   1          3H        GLY   1   4.558  -5.097   4.142
    4   1HA   GLY   1          2HA       GLY   1   2.936  -3.313   3.674
    5   2HA   GLY   1          1HA       GLY   1   3.925  -2.226   4.640
    6    H    VAL   2           H        VAL   2   3.814  -4.112   1.696
    7    HA   VAL   2           HA       VAL   2   6.325  -2.920   0.536
    8    HB   VAL   2           HB       VAL   2   4.294  -4.894  -0.665
    9   1HG1  VAL   2          1HG2      VAL   2   6.961  -3.930  -1.908
   10   2HG1  VAL   2          2HG2      VAL   2   5.953  -5.270  -2.518
   11   3HG1  VAL   2          3HG2      VAL   2   5.331  -3.615  -2.549
   12   1HG2  VAL   2          2HG1      VAL   2   5.755  -5.886   1.162
   13   2HG2  VAL   2          3HG1      VAL   2   6.120  -6.581  -0.423
   14   3HG2  VAL   2          1HG1      VAL   2   7.210  -5.363   0.287
   15    HA   PRO   3           HA       PRO   3   3.613   0.547  -0.743
   16   1HB   PRO   3          1HB       PRO   3   5.440   2.165  -2.105
   17   2HB   PRO   3          2HB       PRO   3   5.332   1.990  -0.353
   18   1HG   PRO   3          2HG       PRO   3   7.236   0.547  -2.256
   19   2HG   PRO   3          1HG       PRO   3   7.628   1.351  -0.716
   20   1HD   PRO   3          1HD       PRO   3   7.269  -1.382  -0.884
   21   2HD   PRO   3          2HD       PRO   3   6.754  -0.483   0.577
   22    H    ILE   4           H        ILE   4   2.150   0.612  -2.272
   23    HA   ILE   4           HA       ILE   4   2.890   0.172  -5.213
   24    HB   ILE   4           HB       ILE   4   0.704  -0.577  -5.795
   25   1HG1  ILE   4          2HG1      ILE   4  -0.183  -0.839  -2.861
   26   2HG1  ILE   4          1HG1      ILE   4  -0.622   0.515  -3.883
   27   1HG2  ILE   4          2HG2      ILE   4   2.453  -2.276  -5.249
   28   2HG2  ILE   4          3HG2      ILE   4   1.815  -2.419  -3.594
   29   3HG2  ILE   4          1HG2      ILE   4   0.817  -2.904  -4.986
   30   1HD1  ILE   4          2HD1      ILE   4  -1.713  -1.063  -5.563
   31   2HD1  ILE   4          3HD1      ILE   4  -1.446  -2.397  -4.408
   32   3HD1  ILE   4          1HD1      ILE   4  -2.482  -1.018  -3.967
   33    H    ASN   5           H        ASN   5   1.975   1.573  -6.681
   34    HA   ASN   5           HA       ASN   5   1.556   4.348  -5.627
   35   1HB   ASN   5          1HB       ASN   5   1.744   5.145  -7.896
   36   2HB   ASN   5          2HB       ASN   5   3.088   4.137  -7.419
   37   1HD2  ASN   5          1HD2      ASN   5   2.543   1.790 -10.111
   38   2HD2  ASN   5          2HD2      ASN   5   3.410   2.094  -8.516
   39    H    VAL   6           H        VAL   6  -0.362   4.211  -4.587
   40    HA   VAL   6           HA       VAL   6  -2.877   4.515  -6.272
   41    HB   VAL   6           HB       VAL   6  -2.656   2.544  -3.903
   42   1HG1  VAL   6          3HG2      VAL   6  -4.812   3.815  -3.662
   43   2HG1  VAL   6          1HG2      VAL   6  -5.245   3.436  -5.346
   44   3HG1  VAL   6          2HG2      VAL   6  -5.114   2.140  -4.129
   45   1HG2  VAL   6          1HG1      VAL   6  -3.516   2.065  -6.836
   46   2HG2  VAL   6          2HG1      VAL   6  -2.016   1.489  -6.072
   47   3HG2  VAL   6          3HG1      VAL   6  -3.572   0.852  -5.531
   48    H    SER   7           H        SER   7  -3.477   6.482  -5.764
   49    HA   SER   7           HA       SER   7  -2.450   7.915  -3.388
   50   1HB   SER   7          1HB       SER   7  -3.564   9.930  -4.273
   51   2HB   SER   7          2HB       SER   7  -2.566   9.118  -5.477
   52    HG   SER   7           HG       SER   7  -4.582   9.745  -6.289
   53    H    CYS   8           H        CYS   8  -3.306   7.818  -1.475
   54    HA   CYS   8           HA       CYS   8  -6.065   6.729  -1.020
   55   1HB   CYS   8          1HB       CYS   8  -3.919   7.526   1.057
   56   2HB   CYS   8          2HB       CYS   8  -5.388   6.592   1.373
   57    H    THR   9           H        THR   9  -7.566   7.463   0.309
   58    HA   THR   9           HA       THR   9  -7.427  10.163   1.667
   59    HB   THR   9           HB       THR   9  -8.577  10.784  -0.348
   60    HG1  THR   9           HG1      THR   9 -10.435  11.557   0.641
   61   1HG2  THR   9          2HG2      THR   9  -9.656   8.682  -1.172
   62   2HG2  THR   9          3HG2      THR   9 -10.799   8.712   0.197
   63   3HG2  THR   9          1HG2      THR   9 -10.828  10.007  -1.019
   64    H    GLY  10           H        GLY  10  -6.748   8.420   3.124
   65   1HA   GLY  10          2HA       GLY  10  -7.572   7.551   5.362
   66   2HA   GLY  10          1HA       GLY  10  -9.076   7.049   4.610
   67    H    SER  11           H        SER  11  -7.461   5.397   6.113
   68    HA   SER  11           HA       SER  11  -5.786   3.548   4.565
   69   1HB   SER  11          1HB       SER  11  -7.176   3.102   7.265
   70   2HB   SER  11          2HB       SER  11  -6.055   1.967   6.510
   71    HG   SER  11           HG       SER  11  -5.031   3.381   7.924
   72    HA   PRO  12           HA       PRO  12  -9.736   0.571   4.001
   73   1HB   PRO  12          1HB       PRO  12 -11.774   2.825   3.581
   74   2HB   PRO  12          2HB       PRO  12 -12.048   1.158   4.135
   75   1HG   PRO  12          1HG       PRO  12 -11.970   3.152   5.965
   76   2HG   PRO  12          2HG       PRO  12 -11.104   1.637   6.322
   77   1HD   PRO  12          1HD       PRO  12  -9.931   4.275   5.286
   78   2HD   PRO  12          2HD       PRO  12  -9.313   3.197   6.571
   79    H    GLN  13           H        GLN  13  -9.082   3.547   2.237
   80    HA   GLN  13           HA       GLN  13 -10.115   2.811  -0.393
   81   1HB   GLN  13          1HB       GLN  13  -7.747   4.661   0.332
   82   2HB   GLN  13          2HB       GLN  13  -8.448   4.536  -1.270
   83   1HG   GLN  13          2HG       GLN  13  -9.910   5.563   1.232
   84   2HG   GLN  13          1HG       GLN  13  -9.233   6.536  -0.048
   85   1HE2  GLN  13          1HE2      GLN  13 -12.047   5.931  -2.268
   86   2HE2  GLN  13          2HE2      GLN  13 -10.277   6.435  -2.205
   87    H    CYS  14           H        CYS  14  -6.943   2.009   1.056
   88    HA   CYS  14           HA       CYS  14  -5.795   0.827  -1.414
   89   1HB   CYS  14          1HB       CYS  14  -5.027   0.417   1.553
   90   2HB   CYS  14          2HB       CYS  14  -4.045  -0.071   0.159
   91    H    ILE  15           H        ILE  15  -8.007  -0.576   0.980
   92    HA   ILE  15           HA       ILE  15  -7.197  -3.297   0.940
   93    HB   ILE  15           HB       ILE  15 -10.039  -2.181   1.246
   94   1HG1  ILE  15          2HG1      ILE  15  -8.513  -1.134   2.882
   95   2HG1  ILE  15          1HG1      ILE  15  -9.751  -2.093   3.625
   96   1HG2  ILE  15          3HG2      ILE  15  -9.037  -4.951   2.140
   97   2HG2  ILE  15          1HG2      ILE  15 -10.596  -4.222   2.604
   98   3HG2  ILE  15          2HG2      ILE  15 -10.270  -4.603   0.908
   99   1HD1  ILE  15          3HD1      ILE  15  -6.808  -2.989   3.288
  100   2HD1  ILE  15          1HD1      ILE  15  -7.539  -2.349   4.778
  101   3HD1  ILE  15          2HD1      ILE  15  -8.068  -3.922   4.136
  102    H    LYS  16           H        LYS  16  -9.805  -2.004  -1.255
  103    HA   LYS  16           HA       LYS  16  -9.948  -4.540  -2.745
  104   1HB   LYS  16          2HB       LYS  16 -11.877  -3.039  -2.517
  105   2HB   LYS  16          1HB       LYS  16 -11.124  -1.806  -3.506
  106   1HG   LYS  16          1HG       LYS  16 -11.101  -3.399  -5.472
  107   2HG   LYS  16          2HG       LYS  16 -11.792  -4.669  -4.459
  108   1HD   LYS  16          1HD       LYS  16 -13.851  -3.235  -4.083
  109   2HD   LYS  16          2HD       LYS  16 -13.152  -1.971  -5.105
  110   1HE   LYS  16          1HE       LYS  16 -13.103  -3.591  -7.071
  111   2HE   LYS  16          2HE       LYS  16 -13.806  -4.853  -6.047
  112   1HZ   LYS  16          3HZ       LYS  16 -15.110  -2.251  -6.694
  113   2HZ   LYS  16          1HZ       LYS  16 -15.500  -3.720  -7.342
  114   3HZ   LYS  16          2HZ       LYS  16 -15.765  -3.428  -5.738
  115    HA   PRO  17           HA       PRO  17  -7.088  -2.404  -6.284
  116   1HB   PRO  17          1HB       PRO  17  -5.525  -0.638  -4.314
  117   2HB   PRO  17          2HB       PRO  17  -5.756  -0.418  -6.060
  118   1HG   PRO  17          2HG       PRO  17  -7.278   1.014  -4.341
  119   2HG   PRO  17          1HG       PRO  17  -8.064   0.271  -5.756
  120   1HD   PRO  17          2HD       PRO  17  -8.057  -0.731  -2.863
  121   2HD   PRO  17          1HD       PRO  17  -9.404  -0.657  -4.036
  122    H    CYS  18           H        CYS  18  -5.719  -2.773  -2.999
  123    HA   CYS  18           HA       CYS  18  -3.320  -4.281  -3.798
  124   1HB   CYS  18          1HB       CYS  18  -4.734  -3.897  -1.081
  125   2HB   CYS  18          2HB       CYS  18  -3.218  -4.763  -1.274
  126    H    LYS  19           H        LYS  19  -6.484  -5.447  -2.487
  127    HA   LYS  19           HA       LYS  19  -5.831  -8.290  -2.502
  128   1HB   LYS  19          2HB       LYS  19  -7.770  -7.176  -1.305
  129   2HB   LYS  19          1HB       LYS  19  -8.589  -6.946  -2.843
  130   1HG   LYS  19          1HG       LYS  19  -8.666  -9.467  -3.151
  131   2HG   LYS  19          2HG       LYS  19  -7.788  -9.675  -1.634
  132   1HD   LYS  19          1HD       LYS  19  -9.702  -8.521  -0.391
  133   2HD   LYS  19          2HD       LYS  19 -10.540  -8.306  -1.919
  134   1HE   LYS  19          1HE       LYS  19 -11.562 -10.202  -0.864
  135   2HE   LYS  19          2HE       LYS  19 -10.640 -10.842  -2.222
  136   1HZ   LYS  19          3HZ       LYS  19  -9.756 -10.857   0.631
  137   2HZ   LYS  19          1HZ       LYS  19 -10.318 -12.159  -0.218
  138   3HZ   LYS  19          2HZ       LYS  19  -8.876 -11.464  -0.628
  139    H    ASP  20           H        ASP  20  -7.466  -6.349  -5.047
  140    HA   ASP  20           HA       ASP  20  -7.599  -8.467  -7.076
  141   1HB   ASP  20          1HB       ASP  20  -7.534  -5.395  -7.413
  142   2HB   ASP  20          2HB       ASP  20  -7.776  -6.503  -8.747
  143    H    ALA  21           H        ALA  21  -4.931  -6.163  -6.381
  144    HA   ALA  21           HA       ALA  21  -3.221  -6.949  -8.657
  145   1HB   ALA  21          2HB       ALA  21  -2.840  -4.829  -7.391
  146   2HB   ALA  21          3HB       ALA  21  -2.439  -5.743  -5.916
  147   3HB   ALA  21          1HB       ALA  21  -1.385  -5.847  -7.341
  148    H    GLY  22           H        GLY  22  -3.192  -8.006  -5.233
  149   1HA   GLY  22          2HA       GLY  22  -2.914 -10.670  -5.151
  150   2HA   GLY  22          1HA       GLY  22  -1.348 -10.369  -5.900
  151    H    MET  23           H        MET  23  -3.215  -8.908  -3.221
  152    HA   MET  23           HA       MET  23  -0.878  -9.364  -1.298
  153   1HB   MET  23          1HB       MET  23  -2.496  -6.764  -1.422
  154   2HB   MET  23          2HB       MET  23  -1.106  -7.081  -0.405
  155   1HG   MET  23          1HG       MET  23  -0.969  -6.765  -3.465
  156   2HG   MET  23          2HG       MET  23  -0.579  -5.533  -2.263
  157   1HE   MET  23          1HE       MET  23   1.522  -6.227  -4.444
  158   2HE   MET  23          3HE       MET  23   1.860  -5.107  -3.089
  159   3HE   MET  23          2HE       MET  23   3.017  -6.415  -3.479
  160    H    ARG  24           H        ARG  24  -1.502  -8.866   0.964
  161    HA   ARG  24           HA       ARG  24  -4.091 -10.307   1.663
  162   1HB   ARG  24          1HB       ARG  24  -1.952 -11.351   2.349
  163   2HB   ARG  24          2HB       ARG  24  -1.460  -9.907   3.216
  164   1HG   ARG  24          1HG       ARG  24  -3.326 -10.212   4.849
  165   2HG   ARG  24          2HG       ARG  24  -3.967 -11.535   3.886
  166   1HD   ARG  24          2HD       ARG  24  -2.773 -12.410   5.849
  167   2HD   ARG  24          1HD       ARG  24  -1.977 -12.952   4.367
  168    HE   ARG  24           HE       ARG  24  -0.506 -10.628   5.040
  169   1HH1  ARG  24          2HH2      ARG  24  -1.263 -13.632   6.783
  170   2HH1  ARG  24          1HH2      ARG  24   0.308 -13.500   7.718
  171   1HH2  ARG  24          1HH1      ARG  24   1.240 -10.564   6.176
  172   2HH2  ARG  24          2HH1      ARG  24   1.629 -11.878   7.396
  173    H    PHE  25           H        PHE  25  -2.118  -7.787   3.353
  174    HA   PHE  25           HA       PHE  25  -4.705  -6.386   4.160
  175   1HB   PHE  25          1HB       PHE  25  -1.867  -5.957   5.290
  176   2HB   PHE  25          2HB       PHE  25  -3.337  -5.243   5.889
  177    HD1  PHE  25           HD2      PHE  25  -5.317  -7.027   6.532
  178    HD2  PHE  25           HD1      PHE  25  -1.096  -7.882   6.523
  179    HE1  PHE  25           HE2      PHE  25  -5.676  -8.891   8.097
  180    HE2  PHE  25           HE1      PHE  25  -1.476  -9.729   8.092
  181    HZ   PHE  25           HZ       PHE  25  -3.761 -10.246   8.877
  182    H    GLY  26           H        GLY  26  -4.597  -4.062   4.339
  183   1HA   GLY  26          1HA       GLY  26  -2.921  -2.558   2.273
  184   2HA   GLY  26          2HA       GLY  26  -4.665  -2.499   2.066
  185    H    LYS  27           H        LYS  27  -1.960  -1.570   4.064
  186    HA   LYS  27           HA       LYS  27  -3.716   0.253   5.815
  187   1HB   LYS  27          1HB       LYS  27  -2.357  -1.524   7.003
  188   2HB   LYS  27          2HB       LYS  27  -0.874  -0.832   6.359
  189   1HG   LYS  27          2HG       LYS  27  -1.457   1.367   7.553
  190   2HG   LYS  27          1HG       LYS  27  -2.873   0.593   8.249
  191   1HD   LYS  27          1HD       LYS  27   0.057  -0.303   8.675
  192   2HD   LYS  27          2HD       LYS  27  -0.850   0.738   9.764
  193   1HE   LYS  27          1HE       LYS  27  -2.529  -1.130  10.182
  194   2HE   LYS  27          2HE       LYS  27  -1.597  -2.198   9.122
  195   1HZ   LYS  27          2HZ       LYS  27  -0.558  -0.939  11.612
  196   2HZ   LYS  27          3HZ       LYS  27  -1.001  -2.520  11.436
  197   3HZ   LYS  27          1HZ       LYS  27   0.309  -1.933  10.618
  198    H    CYS  28           H        CYS  28  -3.701   2.252   5.052
  199    HA   CYS  28           HA       CYS  28  -1.526   3.132   3.163
  200   1HB   CYS  28          1HB       CYS  28  -4.059   3.339   2.645
  201   2HB   CYS  28          2HB       CYS  28  -4.050   4.773   3.685
  202    H    MET  29           H        MET  29  -0.062   4.542   3.571
  203    HA   MET  29           HA       MET  29  -0.026   6.302   6.071
  204   1HB   MET  29          1HB       MET  29   2.136   5.636   3.961
  205   2HB   MET  29          2HB       MET  29   2.344   6.848   5.206
  206   1HG   MET  29          1HG       MET  29   3.431   4.839   5.972
  207   2HG   MET  29          2HG       MET  29   2.054   5.175   7.033
  208   1HE   MET  29          3HE       MET  29   2.200   2.635   7.968
  209   2HE   MET  29          2HE       MET  29   2.175   1.198   6.903
  210   3HE   MET  29          1HE       MET  29   3.580   2.304   6.872
  211    H    ASN  30           H        ASN  30   1.415   8.493   4.867
  212    HA   ASN  30           HA       ASN  30  -0.944  10.155   4.378
  213   1HB   ASN  30          1HB       ASN  30   2.044  10.870   4.087
  214   2HB   ASN  30          2HB       ASN  30   0.738  12.026   3.947
  215   1HD2  ASN  30          1HD2      ASN  30   1.906  11.143   7.692
  216   2HD2  ASN  30          2HD2      ASN  30   2.768  10.475   6.210
  217    H    ARG  31           H        ARG  31  -2.039   9.731   2.670
  218    HA   ARG  31           HA       ARG  31  -2.805   9.403   0.501
  219   1HB   ARG  31          1HB       ARG  31  -0.607  11.403  -0.304
  220   2HB   ARG  31          2HB       ARG  31  -1.896  10.836  -1.352
  221   1HG   ARG  31          1HG       ARG  31  -3.617  11.731   0.368
  222   2HG   ARG  31          2HG       ARG  31  -2.266  12.478   1.204
  223   1HD   ARG  31          1HD       ARG  31  -3.219  14.184  -0.187
  224   2HD   ARG  31          2HD       ARG  31  -1.673  13.759  -0.931
  225    HE   ARG  31           HE       ARG  31  -3.832  12.153  -2.148
  226   1HH1  ARG  31          2HH2      ARG  31  -2.576  15.480  -2.154
  227   2HH1  ARG  31          1HH2      ARG  31  -3.254  15.745  -3.839
  228   1HH2  ARG  31          1HH1      ARG  31  -4.557  12.564  -4.059
  229   2HH2  ARG  31          2HH1      ARG  31  -4.301  14.204  -4.844
  230    H    LYS  32           H        LYS  32  -0.546   7.480   1.375
  231    HA   LYS  32           HA       LYS  32  -0.025   6.334  -1.426
  232   1HB   LYS  32          1HB       LYS  32   2.185   6.884   0.673
  233   2HB   LYS  32          2HB       LYS  32   2.383   5.840  -0.734
  234   1HG   LYS  32          2HG       LYS  32   1.873   7.770  -2.273
  235   2HG   LYS  32          1HG       LYS  32   1.752   8.845  -0.877
  236   1HD   LYS  32          1HD       LYS  32   4.124   8.295  -0.228
  237   2HD   LYS  32          2HD       LYS  32   4.287   7.230  -1.617
  238   1HE   LYS  32          1HE       LYS  32   3.693  10.269  -1.792
  239   2HE   LYS  32          2HE       LYS  32   5.299   9.556  -1.896
  240   1HZ   LYS  32          2HZ       LYS  32   4.601   8.345  -3.889
  241   2HZ   LYS  32          3HZ       LYS  32   3.088   9.004  -3.811
  242   3HZ   LYS  32          1HZ       LYS  32   4.398   9.972  -4.088
  243    H    CYS  33           H        CYS  33  -0.696   4.346  -1.414
  244    HA   CYS  33           HA       CYS  33  -1.363   2.724   0.880
  245   1HB   CYS  33          1HB       CYS  33  -0.890   1.923  -2.063
  246   2HB   CYS  33          2HB       CYS  33  -1.529   0.809  -0.843
  247    H    HIS  34           H        HIS  34  -0.319   1.267   2.108
  248    HA   HIS  34           HA       HIS  34   2.294  -0.024   1.127
  249   1HB   HIS  34          1HB       HIS  34   1.742   1.023   3.972
  250   2HB   HIS  34          2HB       HIS  34   2.931  -0.211   3.624
  251    HD1  HIS  34           HD1      HIS  34   5.303   0.524   2.629
  252    HD2  HIS  34           HD2      HIS  34   2.275   3.563   2.777
  253    HE1  HIS  34           HE1      HIS  34   6.315   2.827   2.082
  254    HE2  HIS  34           HE2      HIS  34   4.580   4.734   2.160
  255    H    CYS  35           H        CYS  35   1.420  -1.822   0.469
  256    HA   CYS  35           HA       CYS  35  -0.688  -3.286   2.113
  257   1HB   CYS  35          1HB       CYS  35   0.043  -3.363  -0.879
  258   2HB   CYS  35          2HB       CYS  35  -1.090  -4.487  -0.106
  259    H    THR  36           H        THR  36  -0.377  -5.285   2.871
  260    HA   THR  36           HA       THR  36   2.481  -6.262   3.062
  261    HB   THR  36           HB       THR  36  -0.019  -7.194   4.590
  262    HG1  THR  36           HG1      THR  36   0.661  -5.070   5.015
  263   1HG2  THR  36          3HG2      THR  36   2.958  -7.804   5.153
  264   2HG2  THR  36          1HG2      THR  36   1.585  -8.225   6.209
  265   3HG2  THR  36          2HG2      THR  36   1.738  -8.987   4.613
  266    HA   PRO  37           HA       PRO  37   1.101  -9.031  -0.315
  267   1HB   PRO  37          1HB       PRO  37   3.422 -10.529  -0.757
  268   2HB   PRO  37          2HB       PRO  37   3.241  -8.827  -1.184
  269   1HG   PRO  37          1HG       PRO  37   4.528  -9.987   1.340
  270   2HG   PRO  37          2HG       PRO  37   5.199  -8.757   0.240
  271   1HD   PRO  37          1HD       PRO  37   3.917  -8.052   2.579
  272   2HD   PRO  37          2HD       PRO  37   3.733  -7.044   1.110
  273    H    LYS  38           H        LYS  38   0.340 -11.043  -0.746
  274    HA   LYS  38           HA       LYS  38  -0.254 -12.803   1.617
  275   1HB   LYS  38          1HB       LYS  38  -1.920 -13.891   0.246
  276   2HB   LYS  38          2HB       LYS  38  -2.106 -12.158   0.196
  277   1HG   LYS  38          1HG       LYS  38  -0.902 -12.194  -2.114
  278   2HG   LYS  38          2HG       LYS  38  -1.027 -13.944  -2.076
  279   1HD   LYS  38          1HD       LYS  38  -3.392 -11.958  -1.947
  280   2HD   LYS  38          2HD       LYS  38  -2.824 -12.772  -3.397
  281   1HE   LYS  38          1HE       LYS  38  -3.405 -15.031  -2.381
  282   2HE   LYS  38          2HE       LYS  38  -4.002 -14.218  -0.926
  283   1HZ   LYS  38          2HZ       LYS  38  -5.092 -13.818  -3.670
  284   2HZ   LYS  38          3HZ       LYS  38  -5.798 -14.702  -2.465
  285   3HZ   LYS  38          1HZ       LYS  38  -5.647 -13.064  -2.308
   
  No H/Q in entry =         285
  Start of MODEL          12
 Raw file had  289 H/Q atoms
  Start of MODEL   12
    1   1H    GLY   1          1H        GLY   1   5.745  -4.458   4.068
    2   2H    GLY   1          2H        GLY   1   4.321  -4.328   4.896
    3   3H    GLY   1          3H        GLY   1   4.329  -4.914   3.352
    4   1HA   GLY   1          1HA       GLY   1   3.494  -2.611   3.417
    5   2HA   GLY   1          2HA       GLY   1   5.013  -2.126   4.168
    6    H    VAL   2           H        VAL   2   3.456  -2.994   1.238
    7    HA   VAL   2           HA       VAL   2   6.019  -2.718  -0.427
    8    HB   VAL   2           HB       VAL   2   3.368  -4.092  -1.154
    9   1HG1  VAL   2          1HG2      VAL   2   5.937  -3.805  -2.862
   10   2HG1  VAL   2          2HG2      VAL   2   4.527  -4.818  -3.269
   11   3HG1  VAL   2          3HG2      VAL   2   4.361  -3.057  -3.211
   12   1HG2  VAL   2          2HG1      VAL   2   4.787  -5.481   0.396
   13   2HG2  VAL   2          3HG1      VAL   2   4.731  -6.197  -1.220
   14   3HG2  VAL   2          1HG1      VAL   2   6.182  -5.307  -0.690
   15    HA   PRO   3           HA       PRO   3   3.758   1.303  -1.107
   16   1HB   PRO   3          1HB       PRO   3   5.795   2.770  -2.301
   17   2HB   PRO   3          2HB       PRO   3   5.675   2.434  -0.573
   18   1HG   PRO   3          2HG       PRO   3   7.363   0.951  -2.638
   19   2HG   PRO   3          1HG       PRO   3   7.861   1.534  -1.032
   20   1HD   PRO   3          2HD       PRO   3   7.131  -1.092  -1.485
   21   2HD   PRO   3          1HD       PRO   3   6.771  -0.299   0.080
   22    H    ILE   4           H        ILE   4   2.214   0.860  -2.543
   23    HA   ILE   4           HA       ILE   4   2.839   0.692  -5.536
   24    HB   ILE   4           HB       ILE   4   0.573  -0.078  -5.936
   25   1HG1  ILE   4          1HG1      ILE   4   0.093  -0.321  -2.902
   26   2HG1  ILE   4          2HG1      ILE   4  -0.584   0.926  -3.939
   27   1HG2  ILE   4          2HG2      ILE   4   2.441  -1.726  -5.628
   28   2HG2  ILE   4          3HG2      ILE   4   1.990  -1.927  -3.919
   29   3HG2  ILE   4          1HG2      ILE   4   0.867  -2.417  -5.208
   30   1HD1  ILE   4          2HD1      ILE   4  -1.831  -0.783  -5.297
   31   2HD1  ILE   4          3HD1      ILE   4  -1.238  -2.063  -4.206
   32   3HD1  ILE   4          1HD1      ILE   4  -2.289  -0.774  -3.579
   33    H    ASN   5           H        ASN   5   2.017   2.182  -6.897
   34    HA   ASN   5           HA       ASN   5   1.542   4.893  -5.759
   35   1HB   ASN   5          1HB       ASN   5   1.702   5.779  -7.997
   36   2HB   ASN   5          2HB       ASN   5   3.052   4.756  -7.574
   37   1HD2  ASN   5          1HD2      ASN   5   2.474   2.512 -10.347
   38   2HD2  ASN   5          2HD2      ASN   5   3.359   2.754  -8.752
   39    H    VAL   6           H        VAL   6  -0.357   4.771  -4.716
   40    HA   VAL   6           HA       VAL   6  -2.929   4.975  -6.335
   41    HB   VAL   6           HB       VAL   6  -2.560   3.021  -3.966
   42   1HG1  VAL   6          3HG2      VAL   6  -4.797   4.160  -3.770
   43   2HG1  VAL   6          1HG2      VAL   6  -5.192   3.700  -5.446
   44   3HG1  VAL   6          2HG2      VAL   6  -4.971   2.454  -4.188
   45   1HG2  VAL   6          1HG1      VAL   6  -3.354   2.453  -6.901
   46   2HG2  VAL   6          2HG1      VAL   6  -1.834   1.971  -6.106
   47   3HG2  VAL   6          3HG1      VAL   6  -3.359   1.254  -5.581
   48    H    SER   7           H        SER   7  -3.595   6.907  -5.774
   49    HA   SER   7           HA       SER   7  -2.621   8.347  -3.374
   50   1HB   SER   7          1HB       SER   7  -3.901  10.294  -4.177
   51   2HB   SER   7          2HB       SER   7  -2.861   9.590  -5.414
   52    HG   SER   7           HG       SER   7  -4.705   8.510  -6.243
   53    H    CYS   8           H        CYS   8  -3.396   7.995  -1.458
   54    HA   CYS   8           HA       CYS   8  -6.079   6.805  -0.938
   55   1HB   CYS   8          1HB       CYS   8  -3.944   7.755   1.091
   56   2HB   CYS   8          2HB       CYS   8  -5.361   6.747   1.449
   57    H    THR   9           H        THR   9  -7.628   7.492   0.381
   58    HA   THR   9           HA       THR   9  -7.584  10.201   1.729
   59    HB   THR   9           HB       THR   9  -8.742  10.796  -0.281
   60    HG1  THR   9           HG1      THR   9  -9.400  11.577   1.721
   61   1HG2  THR   9          2HG2      THR   9  -9.747   8.678  -1.134
   62   2HG2  THR   9          3HG2      THR   9 -10.896   8.646   0.230
   63   3HG2  THR   9          1HG2      THR   9 -10.968   9.956  -0.968
   64    H    GLY  10           H        GLY  10  -6.861   8.505   3.193
   65   1HA   GLY  10          1HA       GLY  10  -7.609   7.577   5.416
   66   2HA   GLY  10          2HA       GLY  10  -9.138   7.086   4.706
   67    H    SER  11           H        SER  11  -7.511   5.396   6.129
   68    HA   SER  11           HA       SER  11  -5.879   3.578   4.488
   69   1HB   SER  11          1HB       SER  11  -7.178   3.083   7.229
   70   2HB   SER  11          2HB       SER  11  -6.080   1.961   6.418
   71    HG   SER  11           HG       SER  11  -5.513   4.662   7.059
   72    HA   PRO  12           HA       PRO  12  -9.878   0.631   4.040
   73   1HB   PRO  12          1HB       PRO  12 -11.888   2.917   3.660
   74   2HB   PRO  12          2HB       PRO  12 -12.179   1.252   4.214
   75   1HG   PRO  12          1HG       PRO  12 -12.029   3.236   6.050
   76   2HG   PRO  12          2HG       PRO  12 -11.177   1.707   6.382
   77   1HD   PRO  12          1HD       PRO  12  -9.993   4.333   5.331
   78   2HD   PRO  12          2HD       PRO  12  -9.356   3.239   6.598
   79    H    GLN  13           H        GLN  13  -9.224   3.593   2.256
   80    HA   GLN  13           HA       GLN  13 -10.209   2.846  -0.395
   81   1HB   GLN  13          1HB       GLN  13  -7.848   4.659   0.452
   82   2HB   GLN  13          2HB       GLN  13  -8.390   4.515  -1.201
   83   1HG   GLN  13          2HG       GLN  13 -10.091   5.595   1.119
   84   2HG   GLN  13          1HG       GLN  13  -9.257   6.543  -0.082
   85   1HE2  GLN  13          1HE2      GLN  13 -11.808   5.958  -2.607
   86   2HE2  GLN  13          2HE2      GLN  13 -10.043   6.415  -2.353
   87    H    CYS  14           H        CYS  14  -7.082   2.055   1.151
   88    HA   CYS  14           HA       CYS  14  -5.888   0.816  -1.266
   89   1HB   CYS  14          1HB       CYS  14  -5.134   0.613   1.722
   90   2HB   CYS  14          2HB       CYS  14  -4.113   0.086   0.370
   91    H    ILE  15           H        ILE  15  -8.235  -0.556   0.930
   92    HA   ILE  15           HA       ILE  15  -7.354  -3.286   1.068
   93    HB   ILE  15           HB       ILE  15 -10.219  -2.193   1.080
   94   1HG1  ILE  15          1HG1      ILE  15  -8.850  -1.127   2.848
   95   2HG1  ILE  15          2HG1      ILE  15 -10.174  -2.061   3.462
   96   1HG2  ILE  15          3HG2      ILE  15  -9.284  -4.947   2.084
   97   2HG2  ILE  15          1HG2      ILE  15 -10.890  -4.233   2.386
   98   3HG2  ILE  15          2HG2      ILE  15 -10.392  -4.618   0.734
   99   1HD1  ILE  15          3HD1      ILE  15  -7.223  -2.995   3.463
  100   2HD1  ILE  15          1HD1      ILE  15  -8.100  -2.320   4.853
  101   3HD1  ILE  15          2HD1      ILE  15  -8.580  -3.897   4.185
  102    H    LYS  16           H        LYS  16  -9.722  -1.994  -1.379
  103    HA   LYS  16           HA       LYS  16  -9.752  -4.490  -2.912
  104   1HB   LYS  16          1HB       LYS  16 -11.615  -2.890  -2.950
  105   2HB   LYS  16          2HB       LYS  16 -10.662  -1.694  -3.798
  106   1HG   LYS  16          1HG       LYS  16 -10.434  -3.292  -5.766
  107   2HG   LYS  16          2HG       LYS  16 -11.367  -4.500  -4.880
  108   1HD   LYS  16          1HD       LYS  16 -13.354  -2.898  -4.819
  109   2HD   LYS  16          2HD       LYS  16 -12.394  -1.699  -5.670
  110   1HE   LYS  16          1HE       LYS  16 -13.804  -2.714  -7.323
  111   2HE   LYS  16          2HE       LYS  16 -12.172  -3.283  -7.660
  112   1HZ   LYS  16          1HZ       LYS  16 -14.280  -4.828  -6.214
  113   2HZ   LYS  16          2HZ       LYS  16 -13.790  -5.079  -7.771
  114   3HZ   LYS  16          3HZ       LYS  16 -12.754  -5.381  -6.521
  115    HA   PRO  17           HA       PRO  17  -6.318  -2.533  -5.975
  116   1HB   PRO  17          1HB       PRO  17  -4.939  -0.825  -3.828
  117   2HB   PRO  17          2HB       PRO  17  -4.927  -0.623  -5.593
  118   1HG   PRO  17          1HG       PRO  17  -6.597   0.904  -4.082
  119   2HG   PRO  17          2HG       PRO  17  -7.204   0.205  -5.602
  120   1HD   PRO  17          1HD       PRO  17  -7.689  -0.762  -2.744
  121   2HD   PRO  17          2HD       PRO  17  -8.825  -0.652  -4.117
  122    H    CYS  18           H        CYS  18  -5.441  -3.017  -2.517
  123    HA   CYS  18           HA       CYS  18  -3.024  -4.623  -2.979
  124   1HB   CYS  18          1HB       CYS  18  -4.904  -4.460  -0.539
  125   2HB   CYS  18          2HB       CYS  18  -3.383  -5.356  -0.561
  126    H    LYS  19           H        LYS  19  -6.410  -5.744  -2.204
  127    HA   LYS  19           HA       LYS  19  -5.913  -8.591  -2.512
  128   1HB   LYS  19          2HB       LYS  19  -8.461  -6.877  -2.858
  129   2HB   LYS  19          1HB       LYS  19  -8.486  -8.614  -2.921
  130   1HG   LYS  19          2HG       LYS  19  -7.565  -7.032  -0.447
  131   2HG   LYS  19          1HG       LYS  19  -9.201  -7.595  -0.748
  132   1HD   LYS  19          1HD       LYS  19  -8.325 -10.004  -0.851
  133   2HD   LYS  19          2HD       LYS  19  -6.718  -9.400  -0.429
  134   1HE   LYS  19          1HE       LYS  19  -7.670  -8.443   1.743
  135   2HE   LYS  19          2HE       LYS  19  -9.259  -9.091   1.318
  136   1HZ   LYS  19          2HZ       LYS  19  -8.284 -11.330   1.315
  137   2HZ   LYS  19          3HZ       LYS  19  -6.799 -10.728   1.714
  138   3HZ   LYS  19          1HZ       LYS  19  -8.056 -10.594   2.776
  139    H    ASP  20           H        ASP  20  -7.173  -6.262  -4.930
  140    HA   ASP  20           HA       ASP  20  -7.407  -8.059  -7.182
  141   1HB   ASP  20          1HB       ASP  20  -8.331  -5.687  -6.976
  142   2HB   ASP  20          2HB       ASP  20  -6.720  -5.044  -7.227
  143    H    ALA  21           H        ALA  21  -4.475  -6.263  -6.127
  144    HA   ALA  21           HA       ALA  21  -2.722  -7.191  -8.335
  145   1HB   ALA  21          2HB       ALA  21  -2.151  -5.179  -6.968
  146   2HB   ALA  21          3HB       ALA  21  -1.995  -6.178  -5.502
  147   3HB   ALA  21          1HB       ALA  21  -0.858  -6.391  -6.854
  148    H    GLY  22           H        GLY  22  -3.191  -8.366  -4.983
  149   1HA   GLY  22          1HA       GLY  22  -3.319 -10.992  -4.868
  150   2HA   GLY  22          2HA       GLY  22  -1.743 -11.004  -5.650
  151    H    MET  23           H        MET  23  -3.266  -9.238  -2.943
  152    HA   MET  23           HA       MET  23  -0.930  -9.949  -1.092
  153   1HB   MET  23          1HB       MET  23  -2.133  -7.128  -1.286
  154   2HB   MET  23          2HB       MET  23  -0.747  -7.637  -0.353
  155   1HG   MET  23          1HG       MET  23  -0.813  -7.449  -3.424
  156   2HG   MET  23          2HG       MET  23  -0.068  -6.309  -2.311
  157   1HE   MET  23          1HE       MET  23   1.987  -6.949  -4.253
  158   2HE   MET  23          3HE       MET  23   2.433  -6.286  -2.650
  159   3HE   MET  23          2HE       MET  23   3.338  -7.669  -3.326
  160    H    ARG  24           H        ARG  24  -1.411  -9.227   1.174
  161    HA   ARG  24           HA       ARG  24  -3.930 -10.634   2.029
  162   1HB   ARG  24          1HB       ARG  24  -1.689  -9.530   3.831
  163   2HB   ARG  24          2HB       ARG  24  -3.040 -10.535   4.333
  164   1HG   ARG  24          1HG       ARG  24  -2.169 -12.392   2.793
  165   2HG   ARG  24          2HG       ARG  24  -0.773 -11.367   2.448
  166   1HD   ARG  24          1HD       ARG  24  -0.237 -11.304   4.948
  167   2HD   ARG  24          2HD       ARG  24  -1.549 -12.435   5.249
  168    HE   ARG  24           HE       ARG  24   1.132 -13.036   4.031
  169   1HH1  ARG  24          2HH2      ARG  24  -2.167 -14.308   4.414
  170   2HH1  ARG  24          1HH2      ARG  24  -1.570 -16.001   4.039
  171   1HH2  ARG  24          1HH1      ARG  24   1.699 -14.996   3.617
  172   2HH2  ARG  24          2HH1      ARG  24   0.472 -16.363   3.618
  173    H    PHE  25           H        PHE  25  -2.438  -7.454   2.904
  174    HA   PHE  25           HA       PHE  25  -5.243  -6.384   3.568
  175   1HB   PHE  25          1HB       PHE  25  -2.694  -5.886   5.249
  176   2HB   PHE  25          2HB       PHE  25  -4.267  -5.203   5.552
  177    HD1  PHE  25           HD2      PHE  25  -6.277  -6.816   6.063
  178    HD2  PHE  25           HD1      PHE  25  -2.159  -8.046   6.258
  179    HE1  PHE  25           HE2      PHE  25  -6.906  -8.742   7.462
  180    HE2  PHE  25           HE1      PHE  25  -2.804  -9.965   7.650
  181    HZ   PHE  25           HZ       PHE  25  -5.175 -10.320   8.254
  182    H    GLY  26           H        GLY  26  -5.283  -4.070   3.799
  183   1HA   GLY  26          1HA       GLY  26  -3.391  -2.520   1.910
  184   2HA   GLY  26          2HA       GLY  26  -5.133  -2.360   1.774
  185    H    LYS  27           H        LYS  27  -2.334  -1.584   3.635
  186    HA   LYS  27           HA       LYS  27  -3.954   0.192   5.569
  187   1HB   LYS  27          1HB       LYS  27  -1.269  -1.261   6.017
  188   2HB   LYS  27          2HB       LYS  27  -1.901  -0.021   7.087
  189   1HG   LYS  27          2HG       LYS  27  -3.900  -1.345   7.635
  190   2HG   LYS  27          1HG       LYS  27  -3.493  -2.595   6.474
  191   1HD   LYS  27          1HD       LYS  27  -1.731  -1.887   8.910
  192   2HD   LYS  27          2HD       LYS  27  -2.995  -3.113   8.919
  193   1HE   LYS  27          1HE       LYS  27  -1.810  -4.392   7.073
  194   2HE   LYS  27          2HE       LYS  27  -0.508  -3.196   7.077
  195   1HZ   LYS  27          3HZ       LYS  27  -1.282  -4.890   9.402
  196   2HZ   LYS  27          1HZ       LYS  27   0.045  -5.105   8.442
  197   3HZ   LYS  27          2HZ       LYS  27  -0.067  -3.770   9.408
  198    H    CYS  28           H        CYS  28  -3.775   2.221   4.940
  199    HA   CYS  28           HA       CYS  28  -1.646   2.993   2.989
  200   1HB   CYS  28          1HB       CYS  28  -4.125   3.545   2.655
  201   2HB   CYS  28          2HB       CYS  28  -3.937   4.831   3.854
  202    H    MET  29           H        MET  29   0.029   4.168   3.347
  203    HA   MET  29           HA       MET  29   0.497   5.752   5.913
  204   1HB   MET  29          1HB       MET  29   2.348   5.170   3.506
  205   2HB   MET  29          2HB       MET  29   2.800   6.155   4.882
  206   1HG   MET  29          1HG       MET  29   2.110   3.168   5.056
  207   2HG   MET  29          2HG       MET  29   3.721   3.879   5.140
  208   1HE   MET  29          3HE       MET  29   4.805   4.897   7.257
  209   2HE   MET  29          2HE       MET  29   3.759   6.342   7.086
  210   3HE   MET  29          1HE       MET  29   3.896   5.518   8.666
  211    H    ASN  30           H        ASN  30   1.917   7.939   4.901
  212    HA   ASN  30           HA       ASN  30  -0.346   9.766   4.617
  213   1HB   ASN  30          1HB       ASN  30   2.672  10.324   4.325
  214   2HB   ASN  30          2HB       ASN  30   1.444  11.574   4.287
  215   1HD2  ASN  30          1HD2      ASN  30   0.955  11.533   7.861
  216   2HD2  ASN  30          2HD2      ASN  30   0.257  12.070   6.245
  217    H    ARG  31           H        ARG  31  -1.504   9.620   2.921
  218    HA   ARG  31           HA       ARG  31  -2.371   9.772   0.775
  219   1HB   ARG  31          1HB       ARG  31   0.184  11.278  -0.044
  220   2HB   ARG  31          2HB       ARG  31  -1.318  11.238  -0.948
  221   1HG   ARG  31          1HG       ARG  31  -1.057  12.504   1.849
  222   2HG   ARG  31          2HG       ARG  31  -0.858  13.348   0.337
  223   1HD   ARG  31          1HD       ARG  31  -3.069  13.866   1.101
  224   2HD   ARG  31          2HD       ARG  31  -3.220  12.873  -0.331
  225    HE   ARG  31           HE       ARG  31  -4.337  11.181   0.928
  226   1HH1  ARG  31          2HH2      ARG  31  -2.809  13.413   3.237
  227   2HH1  ARG  31          1HH2      ARG  31  -3.683  12.589   4.624
  228   1HH2  ARG  31          1HH1      ARG  31  -5.273  10.324   2.572
  229   2HH2  ARG  31          2HH1      ARG  31  -4.984  10.957   4.270
  230    H    LYS  32           H        LYS  32  -0.197   7.461   1.292
  231    HA   LYS  32           HA       LYS  32  -0.527   6.375  -1.517
  232   1HB   LYS  32          1HB       LYS  32   2.268   6.758  -0.265
  233   2HB   LYS  32          2HB       LYS  32   1.962   5.602  -1.549
  234   1HG   LYS  32          2HG       LYS  32   1.524   8.629  -1.823
  235   2HG   LYS  32          1HG       LYS  32   2.931   7.733  -2.361
  236   1HD   LYS  32          1HD       LYS  32   1.501   6.367  -3.936
  237   2HD   LYS  32          2HD       LYS  32   0.072   7.270  -3.430
  238   1HE   LYS  32          1HE       LYS  32   1.119   9.425  -4.259
  239   2HE   LYS  32          2HE       LYS  32   2.541   8.520  -4.802
  240   1HZ   LYS  32          3HZ       LYS  32  -0.245   8.083  -5.773
  241   2HZ   LYS  32          1HZ       LYS  32   0.960   8.852  -6.600
  242   3HZ   LYS  32          2HZ       LYS  32   1.079   7.236  -6.282
  243    H    CYS  33           H        CYS  33  -0.997   4.381  -1.545
  244    HA   CYS  33           HA       CYS  33  -1.548   2.779   0.768
  245   1HB   CYS  33          1HB       CYS  33  -1.283   2.016  -2.206
  246   2HB   CYS  33          2HB       CYS  33  -1.885   0.889  -0.980
  247    H    HIS  34           H        HIS  34  -0.525   1.224   1.904
  248    HA   HIS  34           HA       HIS  34   2.008  -0.105   0.774
  249   1HB   HIS  34          1HB       HIS  34   1.500   0.899   3.635
  250   2HB   HIS  34          2HB       HIS  34   2.536  -0.475   3.348
  251    HD1  HIS  34           HD1      HIS  34   5.056   0.018   2.860
  252    HD2  HIS  34           HD2      HIS  34   2.364   3.257   2.020
  253    HE1  HIS  34           HE1      HIS  34   6.370   2.131   2.202
  254    HE2  HIS  34           HE2      HIS  34   4.844   4.144   1.684
  255    H    CYS  35           H        CYS  35   1.359  -1.993   0.144
  256    HA   CYS  35           HA       CYS  35  -0.898  -3.498   1.439
  257   1HB   CYS  35          1HB       CYS  35   0.890  -4.283  -0.953
  258   2HB   CYS  35          2HB       CYS  35  -0.547  -5.150  -0.384
  259    H    THR  36           H        THR  36  -0.708  -5.407   2.576
  260    HA   THR  36           HA       THR  36   2.009  -6.206   3.684
  261    HB   THR  36           HB       THR  36  -0.797  -7.216   4.429
  262    HG1  THR  36           HG1      THR  36  -0.379  -5.999   6.278
  263   1HG2  THR  36          3HG2      THR  36   1.916  -7.729   5.827
  264   2HG2  THR  36          1HG2      THR  36   0.314  -8.177   6.463
  265   3HG2  THR  36          2HG2      THR  36   0.928  -8.956   4.990
  266    HA   PRO  37           HA       PRO  37   1.687  -8.885  -0.012
  267   1HB   PRO  37          1HB       PRO  37   4.214 -10.093  -0.048
  268   2HB   PRO  37          2HB       PRO  37   3.910  -8.396  -0.433
  269   1HG   PRO  37          1HG       PRO  37   4.835  -9.564   2.241
  270   2HG   PRO  37          2HG       PRO  37   5.527  -8.183   1.355
  271   1HD   PRO  37          1HD       PRO  37   3.733  -7.837   3.437
  272   2HD   PRO  37          2HD       PRO  37   3.743  -6.723   2.039
  273    H    LYS  38           H        LYS  38   1.308 -10.903  -0.722
  274    HA   LYS  38           HA       LYS  38   0.763 -13.065   1.385
  275   1HB   LYS  38          1HB       LYS  38  -1.184 -11.944   0.232
  276   2HB   LYS  38          2HB       LYS  38  -0.628 -12.549  -1.317
  277   1HG   LYS  38          1HG       LYS  38  -1.060 -14.892  -0.604
  278   2HG   LYS  38          2HG       LYS  38  -1.318 -14.385   1.060
  279   1HD   LYS  38          1HD       LYS  38  -3.479 -14.824   0.092
  280   2HD   LYS  38          2HD       LYS  38  -3.360 -13.102   0.432
  281   1HE   LYS  38          1HE       LYS  38  -2.880 -12.663  -2.045
  282   2HE   LYS  38          2HE       LYS  38  -3.014 -14.398  -2.366
  283   1HZ   LYS  38          1HZ       LYS  38  -5.185 -12.675  -1.263
  284   2HZ   LYS  38          2HZ       LYS  38  -5.087 -13.237  -2.813
  285   3HZ   LYS  38          3HZ       LYS  38  -5.322 -14.294  -1.565
   
  No H/Q in entry =         285
  Start of MODEL          13
 Raw file had  289 H/Q atoms
  Start of MODEL   13
    1   1H    GLY   1          3H        GLY   1   4.633  -1.658   4.199
    2   2H    GLY   1          1H        GLY   1   3.326  -2.419   3.532
    3   3H    GLY   1          2H        GLY   1   3.874  -2.872   5.024
    4   1HA   GLY   1          2HA       GLY   1   5.945  -3.714   4.115
    5   2HA   GLY   1          1HA       GLY   1   4.558  -4.539   3.414
    6    H    VAL   2           H        VAL   2   4.103  -4.216   1.248
    7    HA   VAL   2           HA       VAL   2   6.349  -3.107  -0.442
    8    HB   VAL   2           HB       VAL   2   3.959  -4.890  -1.175
    9   1HG1  VAL   2          1HG2      VAL   2   6.261  -3.962  -3.026
   10   2HG1  VAL   2          2HG2      VAL   2   5.059  -5.221  -3.414
   11   3HG1  VAL   2          3HG2      VAL   2   4.540  -3.545  -3.203
   12   1HG2  VAL   2          2HG1      VAL   2   5.773  -6.052   0.154
   13   2HG2  VAL   2          3HG1      VAL   2   5.708  -6.658  -1.508
   14   3HG2  VAL   2          1HG1      VAL   2   6.992  -5.523  -1.023
   15    HA   PRO   3           HA       PRO   3   3.519   0.547  -0.986
   16   1HB   PRO   3          1HB       PRO   3   5.252   2.276  -2.291
   17   2HB   PRO   3          2HB       PRO   3   5.311   1.915  -0.565
   18   1HG   PRO   3          1HG       PRO   3   7.019   0.692  -2.779
   19   2HG   PRO   3          2HG       PRO   3   7.556   1.321  -1.203
   20   1HD   PRO   3          1HD       PRO   3   7.135  -1.382  -1.666
   21   2HD   PRO   3          2HD       PRO   3   6.836  -0.655  -0.058
   22    H    ILE   4           H        ILE   4   1.931   0.305  -2.396
   23    HA   ILE   4           HA       ILE   4   2.467   0.039  -5.401
   24    HB   ILE   4           HB       ILE   4   0.142  -0.502  -5.765
   25   1HG1  ILE   4          1HG1      ILE   4  -0.332  -0.703  -2.730
   26   2HG1  ILE   4          2HG1      ILE   4  -0.887   0.615  -3.745
   27   1HG2  ILE   4          2HG2      ILE   4   1.844  -2.319  -5.474
   28   2HG2  ILE   4          3HG2      ILE   4   1.401  -2.469  -3.757
   29   3HG2  ILE   4          1HG2      ILE   4   0.218  -2.858  -5.029
   30   1HD1  ILE   4          2HD1      ILE   4  -2.321  -0.918  -5.108
   31   2HD1  ILE   4          3HD1      ILE   4  -1.842  -2.286  -4.069
   32   3HD1  ILE   4          1HD1      ILE   4  -2.744  -0.920  -3.381
   33    H    ASN   5           H        ASN   5   1.860   1.631  -6.740
   34    HA   ASN   5           HA       ASN   5   1.589   4.364  -5.565
   35   1HB   ASN   5          1HB       ASN   5   1.938   5.262  -7.777
   36   2HB   ASN   5          2HB       ASN   5   3.174   4.120  -7.306
   37   1HD2  ASN   5          1HD2      ASN   5   2.553   1.975 -10.146
   38   2HD2  ASN   5          2HD2      ASN   5   3.373   2.121  -8.505
   39    H    VAL   6           H        VAL   6  -0.366   4.390  -4.618
   40    HA   VAL   6           HA       VAL   6  -2.814   4.848  -6.367
   41    HB   VAL   6           HB       VAL   6  -2.778   2.842  -4.014
   42   1HG1  VAL   6          3HG2      VAL   6  -4.912   4.160  -3.950
   43   2HG1  VAL   6          1HG2      VAL   6  -5.218   3.788  -5.665
   44   3HG1  VAL   6          2HG2      VAL   6  -5.215   2.492  -4.441
   45   1HG2  VAL   6          1HG1      VAL   6  -3.400   2.361  -7.004
   46   2HG2  VAL   6          2HG1      VAL   6  -1.990   1.745  -6.105
   47   3HG2  VAL   6          3HG1      VAL   6  -3.605   1.163  -5.700
   48    H    SER   7           H        SER   7  -3.503   6.763  -5.775
   49    HA   SER   7           HA       SER   7  -2.517   8.149  -3.348
   50   1HB   SER   7          1HB       SER   7  -3.712  10.148  -4.162
   51   2HB   SER   7          2HB       SER   7  -2.688   9.418  -5.397
   52    HG   SER   7           HG       SER   7  -5.495   9.069  -5.127
   53    H    CYS   8           H        CYS   8  -3.384   8.006  -1.429
   54    HA   CYS   8           HA       CYS   8  -6.083   6.762  -1.005
   55   1HB   CYS   8          1HB       CYS   8  -4.072   7.705   1.142
   56   2HB   CYS   8          2HB       CYS   8  -5.468   6.639   1.377
   57    H    THR   9           H        THR   9  -7.664   7.453   0.283
   58    HA   THR   9           HA       THR   9  -7.675  10.211   1.539
   59    HB   THR   9           HB       THR   9  -8.828  10.666  -0.525
   60    HG1  THR   9           HG1      THR   9 -10.593  10.435   1.667
   61   1HG2  THR   9          2HG2      THR   9  -9.815   8.459  -1.211
   62   2HG2  THR   9          3HG2      THR   9 -10.980   8.555   0.135
   63   3HG2  THR   9          1HG2      THR   9 -11.029   9.756  -1.172
   64    H    GLY  10           H        GLY  10  -6.917   8.551   3.063
   65   1HA   GLY  10          1HA       GLY  10  -7.732   7.770   5.343
   66   2HA   GLY  10          2HA       GLY  10  -9.197   7.152   4.598
   67    H    SER  11           H        SER  11  -7.478   5.692   6.205
   68    HA   SER  11           HA       SER  11  -5.718   3.858   4.766
   69   1HB   SER  11          1HB       SER  11  -5.687   2.473   6.770
   70   2HB   SER  11          2HB       SER  11  -5.464   4.173   7.155
   71    HG   SER  11           HG       SER  11  -7.887   2.708   7.364
   72    HA   PRO  12           HA       PRO  12  -9.136   0.473   4.297
   73   1HB   PRO  12          1HB       PRO  12 -11.820   1.138   4.074
   74   2HB   PRO  12          2HB       PRO  12 -10.993   0.799   5.596
   75   1HG   PRO  12          1HG       PRO  12 -11.581   3.536   4.378
   76   2HG   PRO  12          2HG       PRO  12 -11.892   2.994   6.045
   77   1HD   PRO  12          2HD       PRO  12  -9.677   4.454   5.356
   78   2HD   PRO  12          1HD       PRO  12  -9.575   3.230   6.654
   79    H    GLN  13           H        GLN  13  -9.198   3.429   2.538
   80    HA   GLN  13           HA       GLN  13 -10.254   2.632  -0.050
   81   1HB   GLN  13          1HB       GLN  13  -7.919   4.567   0.571
   82   2HB   GLN  13          2HB       GLN  13  -8.681   4.423  -0.998
   83   1HG   GLN  13          1HG       GLN  13 -10.056   5.408   1.566
   84   2HG   GLN  13          2HG       GLN  13  -9.478   6.394   0.250
   85   1HE2  GLN  13          1HE2      GLN  13 -12.377   5.663  -1.828
   86   2HE2  GLN  13          2HE2      GLN  13 -10.618   6.206  -1.868
   87    H    CYS  14           H        CYS  14  -6.979   2.025   1.240
   88    HA   CYS  14           HA       CYS  14  -5.872   0.893  -1.266
   89   1HB   CYS  14          1HB       CYS  14  -4.947   0.668   1.674
   90   2HB   CYS  14          2HB       CYS  14  -3.979   0.195   0.264
   91    H    ILE  15           H        ILE  15  -7.941  -0.651   1.124
   92    HA   ILE  15           HA       ILE  15  -6.833  -3.310   1.091
   93    HB   ILE  15           HB       ILE  15  -9.743  -2.525   1.630
   94   1HG1  ILE  15          1HG1      ILE  15  -7.415  -2.958   3.621
   95   2HG1  ILE  15          2HG1      ILE  15  -8.005  -1.388   3.128
   96   1HG2  ILE  15          2HG2      ILE  15  -9.559  -5.003   1.202
   97   2HG2  ILE  15          3HG2      ILE  15  -8.261  -5.134   2.412
   98   3HG2  ILE  15          1HG2      ILE  15  -9.920  -4.698   2.895
   99   1HD1  ILE  15          2HD1      ILE  15 -10.283  -1.883   4.107
  100   2HD1  ILE  15          3HD1      ILE  15  -9.635  -3.420   4.752
  101   3HD1  ILE  15          1HD1      ILE  15  -8.955  -1.872   5.293
  102    H    LYS  16           H        LYS  16  -9.542  -2.108  -1.058
  103    HA   LYS  16           HA       LYS  16  -9.682  -4.595  -2.602
  104   1HB   LYS  16          2HB       LYS  16 -10.732  -1.753  -3.096
  105   2HB   LYS  16          1HB       LYS  16 -10.864  -3.005  -4.309
  106   1HG   LYS  16          1HG       LYS  16 -12.127  -4.476  -2.701
  107   2HG   LYS  16          2HG       LYS  16 -11.990  -3.237  -1.453
  108   1HD   LYS  16          1HD       LYS  16 -13.249  -1.611  -2.926
  109   2HD   LYS  16          2HD       LYS  16 -13.422  -2.838  -4.169
  110   1HE   LYS  16          1HE       LYS  16 -14.559  -3.076  -1.294
  111   2HE   LYS  16          2HE       LYS  16 -15.467  -2.489  -2.684
  112   1HZ   LYS  16          1HZ       LYS  16 -15.168  -4.655  -3.756
  113   2HZ   LYS  16          2HZ       LYS  16 -14.313  -5.223  -2.461
  114   3HZ   LYS  16          3HZ       LYS  16 -15.906  -4.822  -2.289
  115    HA   PRO  17           HA       PRO  17  -6.566  -2.494  -5.909
  116   1HB   PRO  17          1HB       PRO  17  -5.116  -0.734  -3.853
  117   2HB   PRO  17          2HB       PRO  17  -5.225  -0.537  -5.618
  118   1HG   PRO  17          2HG       PRO  17  -6.854   0.923  -3.999
  119   2HG   PRO  17          1HG       PRO  17  -7.527   0.196  -5.480
  120   1HD   PRO  17          1HD       PRO  17  -7.815  -0.774  -2.600
  121   2HD   PRO  17          2HD       PRO  17  -9.015  -0.743  -3.923
  122    H    CYS  18           H        CYS  18  -5.408  -2.942  -2.532
  123    HA   CYS  18           HA       CYS  18  -3.003  -4.514  -3.137
  124   1HB   CYS  18          1HB       CYS  18  -4.785  -4.414  -0.617
  125   2HB   CYS  18          2HB       CYS  18  -3.270  -5.318  -0.716
  126    H    LYS  19           H        LYS  19  -6.358  -5.608  -2.386
  127    HA   LYS  19           HA       LYS  19  -5.868  -8.466  -2.550
  128   1HB   LYS  19          2HB       LYS  19  -7.869  -7.299  -1.511
  129   2HB   LYS  19          1HB       LYS  19  -8.484  -6.939  -3.116
  130   1HG   LYS  19          2HG       LYS  19  -8.642  -9.435  -3.585
  131   2HG   LYS  19          1HG       LYS  19  -7.995  -9.768  -1.974
  132   1HD   LYS  19          1HD       LYS  19  -9.971  -8.568  -0.934
  133   2HD   LYS  19          2HD       LYS  19 -10.608  -8.218  -2.546
  134   1HE   LYS  19          1HE       LYS  19 -10.800 -10.713  -3.011
  135   2HE   LYS  19          2HE       LYS  19 -10.164 -11.063  -1.396
  136   1HZ   LYS  19          2HZ       LYS  19 -12.676  -9.555  -1.958
  137   2HZ   LYS  19          3HZ       LYS  19 -12.579 -11.118  -1.430
  138   3HZ   LYS  19          1HZ       LYS  19 -12.083  -9.882  -0.451
  139    H    ASP  20           H        ASP  20  -7.182  -6.324  -5.152
  140    HA   ASP  20           HA       ASP  20  -7.069  -8.411  -7.219
  141   1HB   ASP  20          1HB       ASP  20  -7.518  -6.670  -8.877
  142   2HB   ASP  20          2HB       ASP  20  -8.610  -6.607  -7.525
  143    H    ALA  21           H        ALA  21  -4.517  -6.158  -6.197
  144    HA   ALA  21           HA       ALA  21  -2.675  -6.764  -8.442
  145   1HB   ALA  21          2HB       ALA  21  -2.377  -4.727  -7.048
  146   2HB   ALA  21          3HB       ALA  21  -2.063  -5.714  -5.599
  147   3HB   ALA  21          1HB       ALA  21  -0.923  -5.742  -6.965
  148    H    GLY  22           H        GLY  22  -2.784  -8.026  -5.078
  149   1HA   GLY  22          2HA       GLY  22  -2.627 -10.712  -5.279
  150   2HA   GLY  22          1HA       GLY  22  -0.988 -10.392  -5.834
  151    H    MET  23           H        MET  23  -2.960  -9.002  -3.193
  152    HA   MET  23           HA       MET  23  -1.000  -9.986  -1.072
  153   1HB   MET  23          1HB       MET  23  -1.810  -7.010  -1.432
  154   2HB   MET  23          2HB       MET  23  -0.899  -7.672  -0.089
  155   1HG   MET  23          1HG       MET  23   0.862  -6.846  -1.270
  156   2HG   MET  23          2HG       MET  23   0.858  -8.453  -1.991
  157   1HE   MET  23          3HE       MET  23   2.343  -7.062  -3.893
  158   2HE   MET  23          2HE       MET  23   1.655  -5.735  -4.878
  159   3HE   MET  23          1HE       MET  23   1.980  -5.480  -3.137
  160    H    ARG  24           H        ARG  24  -1.783  -9.371   1.120
  161    HA   ARG  24           HA       ARG  24  -4.647 -10.314   1.428
  162   1HB   ARG  24          1HB       ARG  24  -2.472  -9.851   3.552
  163   2HB   ARG  24          2HB       ARG  24  -4.110 -10.363   3.913
  164   1HG   ARG  24          2HG       ARG  24  -3.829 -12.454   2.611
  165   2HG   ARG  24          1HG       ARG  24  -2.195 -12.001   2.146
  166   1HD   ARG  24          1HD       ARG  24  -3.146 -12.394   5.067
  167   2HD   ARG  24          2HD       ARG  24  -2.351 -13.642   4.105
  168    HE   ARG  24           HE       ARG  24  -0.510 -11.484   3.980
  169   1HH1  ARG  24          2HH2      ARG  24  -1.981 -13.320   6.645
  170   2HH1  ARG  24          1HH2      ARG  24  -0.506 -13.008   7.690
  171   1HH2  ARG  24          1HH1      ARG  24   1.115 -11.192   5.253
  172   2HH2  ARG  24          2HH1      ARG  24   1.129 -11.884   6.951
  173    H    PHE  25           H        PHE  25  -2.811  -7.700   3.111
  174    HA   PHE  25           HA       PHE  25  -5.453  -6.207   3.486
  175   1HB   PHE  25          1HB       PHE  25  -2.877  -5.934   5.168
  176   2HB   PHE  25          2HB       PHE  25  -4.430  -5.227   5.503
  177    HD1  PHE  25           HD2      PHE  25  -6.451  -6.766   6.069
  178    HD2  PHE  25           HD1      PHE  25  -2.402  -8.221   5.942
  179    HE1  PHE  25           HE2      PHE  25  -7.109  -8.753   7.363
  180    HE2  PHE  25           HE1      PHE  25  -3.079 -10.199   7.228
  181    HZ   PHE  25           HZ       PHE  25  -5.431 -10.473   7.941
  182    H    GLY  26           H        GLY  26  -5.271  -3.907   3.760
  183   1HA   GLY  26          1HA       GLY  26  -3.164  -2.478   2.022
  184   2HA   GLY  26          2HA       GLY  26  -4.862  -2.212   1.702
  185    H    LYS  27           H        LYS  27  -2.247  -1.567   3.781
  186    HA   LYS  27           HA       LYS  27  -3.898   0.321   5.553
  187   1HB   LYS  27          1HB       LYS  27  -2.152   0.185   7.250
  188   2HB   LYS  27          2HB       LYS  27  -2.895  -1.363   6.924
  189   1HG   LYS  27          1HG       LYS  27  -0.811  -2.008   5.524
  190   2HG   LYS  27          2HG       LYS  27  -0.095  -0.475   5.986
  191   1HD   LYS  27          1HD       LYS  27   0.843  -2.107   7.429
  192   2HD   LYS  27          2HD       LYS  27  -0.235  -1.143   8.432
  193   1HE   LYS  27          1HE       LYS  27  -1.991  -2.980   8.314
  194   2HE   LYS  27          2HE       LYS  27  -0.957  -3.915   7.227
  195   1HZ   LYS  27          1HZ       LYS  27  -0.261  -3.159  10.025
  196   2HZ   LYS  27          2HZ       LYS  27  -0.742  -4.655   9.515
  197   3HZ   LYS  27          3HZ       LYS  27   0.705  -4.036   9.011
  198    H    CYS  28           H        CYS  28  -3.646   2.381   5.088
  199    HA   CYS  28           HA       CYS  28  -1.555   3.148   3.048
  200   1HB   CYS  28          1HB       CYS  28  -4.045   3.579   2.669
  201   2HB   CYS  28          2HB       CYS  28  -3.929   4.902   3.845
  202    H    MET  29           H        MET  29   0.028   4.454   3.361
  203    HA   MET  29           HA       MET  29   0.442   6.074   5.916
  204   1HB   MET  29          1HB       MET  29   2.282   5.553   3.481
  205   2HB   MET  29          2HB       MET  29   2.708   6.584   4.834
  206   1HG   MET  29          1HG       MET  29   2.170   3.570   5.070
  207   2HG   MET  29          2HG       MET  29   3.748   4.361   5.110
  208   1HE   MET  29          3HE       MET  29   4.816   5.471   7.190
  209   2HE   MET  29          2HE       MET  29   3.696   6.859   7.014
  210   3HE   MET  29          1HE       MET  29   3.902   6.073   8.605
  211    H    ASN  30           H        ASN  30   1.789   8.306   4.722
  212    HA   ASN  30           HA       ASN  30  -0.554  10.055   4.522
  213   1HB   ASN  30          1HB       ASN  30   2.420  10.709   4.018
  214   2HB   ASN  30          2HB       ASN  30   1.139  11.902   4.055
  215   1HD2  ASN  30          1HD2      ASN  30   2.590  10.754   7.632
  216   2HD2  ASN  30          2HD2      ASN  30   3.293  10.138   6.047
  217    H    ARG  31           H        ARG  31  -1.798   9.720   2.882
  218    HA   ARG  31           HA       ARG  31  -2.737   9.506   0.762
  219   1HB   ARG  31          1HB       ARG  31  -0.571  11.528  -0.077
  220   2HB   ARG  31          2HB       ARG  31  -1.927  11.041  -1.086
  221   1HG   ARG  31          1HG       ARG  31  -3.571  11.872   0.608
  222   2HG   ARG  31          2HG       ARG  31  -2.244  12.411   1.642
  223   1HD   ARG  31          1HD       ARG  31  -1.427  13.953  -0.236
  224   2HD   ARG  31          2HD       ARG  31  -2.777  13.421  -1.228
  225    HE   ARG  31           HE       ARG  31  -4.334  14.711   0.082
  226   1HH1  ARG  31          2HH2      ARG  31  -1.132  14.823   1.631
  227   2HH1  ARG  31          1HH2      ARG  31  -1.686  16.206   2.701
  228   1HH2  ARG  31          1HH1      ARG  31  -4.852  16.283   1.349
  229   2HH2  ARG  31          2HH1      ARG  31  -3.651  16.975   2.552
  230    H    LYS  32           H        LYS  32  -0.474   7.523   1.390
  231    HA   LYS  32           HA       LYS  32  -0.105   6.506  -1.489
  232   1HB   LYS  32          1HB       LYS  32   2.180   6.879   0.565
  233   2HB   LYS  32          2HB       LYS  32   2.305   5.904  -0.898
  234   1HG   LYS  32          1HG       LYS  32   1.824   7.921  -2.325
  235   2HG   LYS  32          2HG       LYS  32   1.746   8.927  -0.875
  236   1HD   LYS  32          1HD       LYS  32   4.127   8.302  -0.301
  237   2HD   LYS  32          2HD       LYS  32   4.216   7.297  -1.753
  238   1HE   LYS  32          1HE       LYS  32   3.788   9.349  -3.198
  239   2HE   LYS  32          2HE       LYS  32   3.700  10.354  -1.744
  240   1HZ   LYS  32          1HZ       LYS  32   6.086   8.783  -2.598
  241   2HZ   LYS  32          2HZ       LYS  32   5.902  10.418  -2.736
  242   3HZ   LYS  32          3HZ       LYS  32   6.004   9.722  -1.242
  243    H    CYS  33           H        CYS  33  -0.838   4.534  -1.560
  244    HA   CYS  33           HA       CYS  33  -1.525   2.855   0.696
  245   1HB   CYS  33          1HB       CYS  33  -1.234   2.244  -2.311
  246   2HB   CYS  33          2HB       CYS  33  -1.819   1.037  -1.154
  247    H    HIS  34           H        HIS  34  -0.564   1.229   1.772
  248    HA   HIS  34           HA       HIS  34   1.983  -0.090   0.670
  249   1HB   HIS  34          1HB       HIS  34   1.503   0.921   3.544
  250   2HB   HIS  34          2HB       HIS  34   2.566  -0.423   3.219
  251    HD1  HIS  34           HD1      HIS  34   5.051   0.100   2.533
  252    HD2  HIS  34           HD2      HIS  34   2.293   3.378   2.244
  253    HE1  HIS  34           HE1      HIS  34   6.314   2.299   2.082
  254    HE2  HIS  34           HE2      HIS  34   4.746   4.338   1.896
  255    H    CYS  35           H        CYS  35   1.311  -1.994   0.092
  256    HA   CYS  35           HA       CYS  35  -0.949  -3.457   1.390
  257   1HB   CYS  35          1HB       CYS  35   0.983  -4.353  -0.853
  258   2HB   CYS  35          2HB       CYS  35  -0.500  -5.189  -0.341
  259    H    THR  36           H        THR  36  -0.793  -5.629   2.158
  260    HA   THR  36           HA       THR  36   1.859  -6.392   3.539
  261    HB   THR  36           HB       THR  36  -0.996  -7.002   4.475
  262    HG1  THR  36           HG1      THR  36  -0.406  -5.593   6.136
  263   1HG2  THR  36          3HG2      THR  36   1.710  -7.565   5.865
  264   2HG2  THR  36          1HG2      THR  36   0.097  -7.788   6.587
  265   3HG2  THR  36          2HG2      THR  36   0.598  -8.798   5.216
  266    HA   PRO  37           HA       PRO  37   1.167  -9.401   0.045
  267   1HB   PRO  37          1HB       PRO  37   3.867 -10.420   1.106
  268   2HB   PRO  37          2HB       PRO  37   3.331 -10.241  -0.579
  269   1HG   PRO  37          2HG       PRO  37   4.906  -8.333   0.509
  270   2HG   PRO  37          1HG       PRO  37   3.509  -7.828  -0.477
  271   1HD   PRO  37          1HD       PRO  37   3.741  -7.864   2.575
  272   2HD   PRO  37          2HD       PRO  37   2.994  -6.647   1.498
  273    H    LYS  38           H        LYS  38   0.786 -11.541  -0.352
  274    HA   LYS  38           HA       LYS  38  -0.183 -13.205   1.951
  275   1HB   LYS  38          1HB       LYS  38  -1.516 -12.925  -0.169
  276   2HB   LYS  38          2HB       LYS  38  -0.237 -13.680  -1.098
  277   1HG   LYS  38          1HG       LYS  38  -1.981 -15.286  -0.812
  278   2HG   LYS  38          2HG       LYS  38  -0.605 -15.855   0.119
  279   1HD   LYS  38          1HD       LYS  38  -1.693 -14.989   2.242
  280   2HD   LYS  38          2HD       LYS  38  -3.060 -14.390   1.293
  281   1HE   LYS  38          1HE       LYS  38  -3.582 -16.766   0.552
  282   2HE   LYS  38          2HE       LYS  38  -2.210 -17.362   1.500
  283   1HZ   LYS  38          2HZ       LYS  38  -4.569 -15.924   2.622
  284   2HZ   LYS  38          3HZ       LYS  38  -4.281 -17.548   2.729
  285   3HZ   LYS  38          1HZ       LYS  38  -3.289 -16.480   3.507
   
  No H/Q in entry =         285
  Start of MODEL          14
 Raw file had  289 H/Q atoms
  Start of MODEL   14
    1   1H    GLY   1          3H        GLY   1   5.283  -4.405   5.042
    2   2H    GLY   1          1H        GLY   1   3.744  -4.954   5.281
    3   3H    GLY   1          2H        GLY   1   4.551  -5.337   3.892
    4   1HA   GLY   1          1HA       GLY   1   2.867  -3.594   3.486
    5   2HA   GLY   1          2HA       GLY   1   3.660  -2.610   4.707
    6    H    VAL   2           H        VAL   2   3.954  -3.956   1.502
    7    HA   VAL   2           HA       VAL   2   6.446  -2.332   0.893
    8    HB   VAL   2           HB       VAL   2   6.527  -3.424  -1.320
    9   1HG1  VAL   2          3HG2      VAL   2   7.858  -4.315   0.584
   10   2HG1  VAL   2          1HG2      VAL   2   6.535  -5.421   1.024
   11   3HG1  VAL   2          2HG2      VAL   2   7.382  -5.610  -0.531
   12   1HG2  VAL   2          2HG1      VAL   2   4.134  -4.105  -1.703
   13   2HG2  VAL   2          3HG1      VAL   2   5.241  -5.480  -1.861
   14   3HG2  VAL   2          1HG1      VAL   2   4.253  -5.302  -0.396
   15    HA   PRO   3           HA       PRO   3   3.707   0.903  -0.631
   16   1HB   PRO   3          1HB       PRO   3   5.483   2.588  -1.966
   17   2HB   PRO   3          2HB       PRO   3   5.394   2.393  -0.218
   18   1HG   PRO   3          2HG       PRO   3   7.329   1.023  -2.145
   19   2HG   PRO   3          1HG       PRO   3   7.708   1.839  -0.607
   20   1HD   PRO   3          2HD       PRO   3   7.438  -0.905  -0.763
   21   2HD   PRO   3          1HD       PRO   3   6.899  -0.015   0.694
   22    H    ILE   4           H        ILE   4   2.239   0.724  -2.131
   23    HA   ILE   4           HA       ILE   4   2.977   0.348  -5.086
   24    HB   ILE   4           HB       ILE   4   0.758  -0.380  -5.618
   25   1HG1  ILE   4          1HG1      ILE   4  -0.019  -0.615  -2.649
   26   2HG1  ILE   4          2HG1      ILE   4  -0.511   0.705  -3.692
   27   1HG2  ILE   4          2HG2      ILE   4   2.525  -2.082  -5.128
   28   2HG2  ILE   4          3HG2      ILE   4   1.938  -2.225  -3.453
   29   3HG2  ILE   4          1HG2      ILE   4   0.900  -2.711  -4.815
   30   1HD1  ILE   4          2HD1      ILE   4  -1.710  -0.849  -5.249
   31   2HD1  ILE   4          3HD1      ILE   4  -1.312  -2.218  -4.179
   32   3HD1  ILE   4          1HD1      ILE   4  -2.343  -0.893  -3.589
   33    H    ASN   5           H        ASN   5   2.305   1.890  -6.486
   34    HA   ASN   5           HA       ASN   5   1.771   4.590  -5.325
   35   1HB   ASN   5          1HB       ASN   5   2.190   5.532  -7.489
   36   2HB   ASN   5          2HB       ASN   5   3.454   4.433  -7.002
   37   1HD2  ASN   5          1HD2      ASN   5   1.841   3.780 -10.616
   38   2HD2  ASN   5          2HD2      ASN   5   1.469   5.268  -9.600
   39    H    VAL   6           H        VAL   6  -0.233   4.489  -4.485
   40    HA   VAL   6           HA       VAL   6  -2.593   4.804  -6.376
   41    HB   VAL   6           HB       VAL   6  -2.613   2.815  -4.010
   42   1HG1  VAL   6          1HG2      VAL   6  -4.978   3.650  -5.821
   43   2HG1  VAL   6          2HG2      VAL   6  -5.000   2.350  -4.603
   44   3HG1  VAL   6          3HG2      VAL   6  -4.804   4.028  -4.088
   45   1HG2  VAL   6          1HG1      VAL   6  -3.016   2.294  -7.031
   46   2HG2  VAL   6          2HG1      VAL   6  -1.643   1.745  -6.038
   47   3HG2  VAL   6          3HG1      VAL   6  -3.256   1.091  -5.738
   48    H    SER   7           H        SER   7  -3.388   6.695  -5.847
   49    HA   SER   7           HA       SER   7  -2.556   8.173  -3.433
   50   1HB   SER   7          1HB       SER   7  -3.837  10.084  -4.319
   51   2HB   SER   7          2HB       SER   7  -2.761   9.371  -5.519
   52    HG   SER   7           HG       SER   7  -5.551   8.888  -5.275
   53    H    CYS   8           H        CYS   8  -3.425   8.006  -1.526
   54    HA   CYS   8           HA       CYS   8  -6.101   6.730  -1.073
   55   1HB   CYS   8          1HB       CYS   8  -4.072   7.769   1.016
   56   2HB   CYS   8          2HB       CYS   8  -5.465   6.711   1.321
   57    H    THR   9           H        THR   9  -7.693   7.429   0.195
   58    HA   THR   9           HA       THR   9  -7.726  10.185   1.441
   59    HB   THR   9           HB       THR   9  -8.845  10.665  -0.625
   60    HG1  THR   9           HG1      THR   9 -10.642  10.415   1.537
   61   1HG2  THR   9          2HG2      THR   9  -9.827   8.480  -1.361
   62   2HG2  THR   9          3HG2      THR   9 -11.005   8.545  -0.023
   63   3HG2  THR   9          1HG2      THR   9 -11.046   9.772  -1.307
   64    H    GLY  10           H        GLY  10  -6.992   8.543   2.979
   65   1HA   GLY  10          1HA       GLY  10  -7.810   7.735   5.239
   66   2HA   GLY  10          2HA       GLY  10  -9.283   7.142   4.493
   67    H    SER  11           H        SER  11  -7.561   5.628   6.075
   68    HA   SER  11           HA       SER  11  -5.853   3.786   4.536
   69   1HB   SER  11          1HB       SER  11  -7.084   3.419   7.327
   70   2HB   SER  11          2HB       SER  11  -5.954   2.293   6.572
   71    HG   SER  11           HG       SER  11  -4.922   3.819   7.859
   72    HA   PRO  12           HA       PRO  12  -9.703   0.637   4.292
   73   1HB   PRO  12          1HB       PRO  12 -11.842   2.798   3.893
   74   2HB   PRO  12          2HB       PRO  12 -12.027   1.145   4.518
   75   1HG   PRO  12          2HG       PRO  12 -11.938   3.209   6.269
   76   2HG   PRO  12          1HG       PRO  12 -11.000   1.741   6.639
   77   1HD   PRO  12          2HD       PRO  12  -9.981   4.380   5.450
   78   2HD   PRO  12          1HD       PRO  12  -9.261   3.377   6.745
   79    H    GLN  13           H        GLN  13  -9.220   3.559   2.405
   80    HA   GLN  13           HA       GLN  13 -10.275   2.701  -0.183
   81   1HB   GLN  13          1HB       GLN  13  -7.934   4.610   0.483
   82   2HB   GLN  13          2HB       GLN  13  -8.577   4.402  -1.128
   83   1HG   GLN  13          1HG       GLN  13 -10.148   5.509   1.269
   84   2HG   GLN  13          2HG       GLN  13  -9.434   6.439  -0.022
   85   1HE2  GLN  13          1HE2      GLN  13 -12.136   5.672  -2.338
   86   2HE2  GLN  13          2HE2      GLN  13 -10.372   6.181  -2.234
   87    H    CYS  14           H        CYS  14  -7.075   2.022   1.269
   88    HA   CYS  14           HA       CYS  14  -5.936   0.774  -1.170
   89   1HB   CYS  14          1HB       CYS  14  -5.066   0.607   1.785
   90   2HB   CYS  14          2HB       CYS  14  -4.090   0.092   0.396
   91    H    ILE  15           H        ILE  15  -8.196  -0.606   1.111
   92    HA   ILE  15           HA       ILE  15  -7.300  -3.336   1.217
   93    HB   ILE  15           HB       ILE  15 -10.164  -2.239   1.311
   94   1HG1  ILE  15          2HG1      ILE  15  -8.742  -1.199   3.057
   95   2HG1  ILE  15          1HG1      ILE  15 -10.052  -2.136   3.696
   96   1HG2  ILE  15          3HG2      ILE  15  -9.218  -5.010   2.260
   97   2HG2  ILE  15          1HG2      ILE  15 -10.810  -4.289   2.614
   98   3HG2  ILE  15          2HG2      ILE  15 -10.358  -4.658   0.945
   99   1HD1  ILE  15          3HD1      ILE  15  -7.107  -3.083   3.602
  100   2HD1  ILE  15          1HD1      ILE  15  -7.941  -2.420   5.025
  101   3HD1  ILE  15          2HD1      ILE  15  -8.447  -3.986   4.351
  102    H    LYS  16           H        LYS  16  -9.736  -2.041  -1.166
  103    HA   LYS  16           HA       LYS  16  -9.777  -4.523  -2.718
  104   1HB   LYS  16          2HB       LYS  16 -11.663  -2.976  -2.747
  105   2HB   LYS  16          1HB       LYS  16 -10.729  -1.719  -3.505
  106   1HG   LYS  16          1HG       LYS  16 -12.204  -2.779  -5.138
  107   2HG   LYS  16          2HG       LYS  16 -10.535  -3.012  -5.599
  108   1HD   LYS  16          1HD       LYS  16 -11.756  -5.038  -6.074
  109   2HD   LYS  16          2HD       LYS  16 -10.591  -5.389  -4.809
  110   1HE   LYS  16          1HE       LYS  16 -12.452  -5.247  -3.064
  111   2HE   LYS  16          2HE       LYS  16 -13.616  -4.874  -4.345
  112   1HZ   LYS  16          3HZ       LYS  16 -12.015  -7.382  -4.158
  113   2HZ   LYS  16          1HZ       LYS  16 -13.618  -7.228  -3.794
  114   3HZ   LYS  16          2HZ       LYS  16 -13.104  -7.040  -5.352
  115    HA   PRO  17           HA       PRO  17  -6.395  -2.501  -5.818
  116   1HB   PRO  17          1HB       PRO  17  -4.998  -0.867  -3.619
  117   2HB   PRO  17          2HB       PRO  17  -4.977  -0.613  -5.378
  118   1HG   PRO  17          2HG       PRO  17  -6.636   0.882  -3.826
  119   2HG   PRO  17          1HG       PRO  17  -7.243   0.238  -5.371
  120   1HD   PRO  17          2HD       PRO  17  -7.772  -0.800  -2.552
  121   2HD   PRO  17          1HD       PRO  17  -8.885  -0.669  -3.941
  122    H    CYS  18           H        CYS  18  -5.567  -3.155  -2.384
  123    HA   CYS  18           HA       CYS  18  -3.129  -4.723  -2.884
  124   1HB   CYS  18          1HB       CYS  18  -5.051  -4.796  -0.468
  125   2HB   CYS  18          2HB       CYS  18  -3.452  -5.550  -0.536
  126    H    LYS  19           H        LYS  19  -6.510  -5.900  -2.160
  127    HA   LYS  19           HA       LYS  19  -5.977  -8.713  -2.631
  128   1HB   LYS  19          2HB       LYS  19  -8.590  -7.079  -2.872
  129   2HB   LYS  19          1HB       LYS  19  -8.528  -8.814  -2.911
  130   1HG   LYS  19          2HG       LYS  19  -7.769  -7.054  -0.523
  131   2HG   LYS  19          1HG       LYS  19  -9.260  -7.936  -0.735
  132   1HD   LYS  19          1HD       LYS  19  -6.462  -9.183  -0.310
  133   2HD   LYS  19          2HD       LYS  19  -7.700  -8.965   0.894
  134   1HE   LYS  19          1HE       LYS  19  -7.901 -11.240   0.395
  135   2HE   LYS  19          2HE       LYS  19  -9.253 -10.534  -0.486
  136   1HZ   LYS  19          1HZ       LYS  19  -6.615 -11.305  -1.663
  137   2HZ   LYS  19          2HZ       LYS  19  -8.032 -12.138  -1.829
  138   3HZ   LYS  19          3HZ       LYS  19  -7.865 -10.645  -2.517
  139    H    ASP  20           H        ASP  20  -7.357  -6.297  -4.886
  140    HA   ASP  20           HA       ASP  20  -7.608  -7.976  -7.222
  141   1HB   ASP  20          1HB       ASP  20  -8.578  -5.638  -6.859
  142   2HB   ASP  20          2HB       ASP  20  -6.990  -4.946  -7.130
  143    H    ALA  21           H        ALA  21  -4.683  -6.151  -6.171
  144    HA   ALA  21           HA       ALA  21  -3.004  -6.921  -8.498
  145   1HB   ALA  21          2HB       ALA  21  -2.429  -4.948  -7.076
  146   2HB   ALA  21          3HB       ALA  21  -2.161  -6.001  -5.664
  147   3HB   ALA  21          1HB       ALA  21  -1.095  -6.116  -7.082
  148    H    GLY  22           H        GLY  22  -3.298  -8.275  -5.195
  149   1HA   GLY  22          1HA       GLY  22  -3.276 -10.903  -5.193
  150   2HA   GLY  22          2HA       GLY  22  -1.737 -10.798  -6.037
  151    H    MET  23           H        MET  23  -3.190  -9.177  -3.204
  152    HA   MET  23           HA       MET  23  -0.889 -10.005  -1.390
  153   1HB   MET  23          1HB       MET  23  -1.655  -7.045  -1.914
  154   2HB   MET  23          2HB       MET  23  -0.562  -7.606  -0.663
  155   1HG   MET  23          2HG       MET  23   0.922  -8.655  -2.526
  156   2HG   MET  23          1HG       MET  23  -0.066  -7.737  -3.680
  157   1HE   MET  23          3HE       MET  23   1.979  -6.419  -4.593
  158   2HE   MET  23          2HE       MET  23   3.136  -5.506  -3.583
  159   3HE   MET  23          1HE       MET  23   3.098  -7.293  -3.498
  160    H    ARG  24           H        ARG  24  -1.295  -9.168   0.865
  161    HA   ARG  24           HA       ARG  24  -3.941 -10.408   1.609
  162   1HB   ARG  24          1HB       ARG  24  -1.503  -9.688   3.346
  163   2HB   ARG  24          2HB       ARG  24  -2.980 -10.409   3.963
  164   1HG   ARG  24          1HG       ARG  24  -2.686 -12.415   2.527
  165   2HG   ARG  24          2HG       ARG  24  -1.217 -11.758   1.824
  166   1HD   ARG  24          1HD       ARG  24  -1.586 -12.362   4.837
  167   2HD   ARG  24          2HD       ARG  24  -0.883 -13.485   3.670
  168    HE   ARG  24           HE       ARG  24   0.638 -11.013   3.471
  169   1HH1  ARG  24          2HH2      ARG  24   0.116 -13.636   5.814
  170   2HH1  ARG  24          1HH2      ARG  24   1.790 -13.363   6.515
  171   1HH2  ARG  24          1HH1      ARG  24   2.525 -10.793   4.348
  172   2HH2  ARG  24          2HH1      ARG  24   3.058 -11.864   5.739
  173    H    PHE  25           H        PHE  25  -2.250  -7.620   3.143
  174    HA   PHE  25           HA       PHE  25  -4.999  -6.435   3.783
  175   1HB   PHE  25          1HB       PHE  25  -2.304  -5.974   5.221
  176   2HB   PHE  25          2HB       PHE  25  -3.846  -5.322   5.698
  177    HD1  PHE  25           HD2      PHE  25  -5.748  -6.911   6.452
  178    HD2  PHE  25           HD1      PHE  25  -1.691  -8.255   5.940
  179    HE1  PHE  25           HE2      PHE  25  -6.223  -8.908   7.810
  180    HE2  PHE  25           HE1      PHE  25  -2.186 -10.243   7.293
  181    HZ   PHE  25           HZ       PHE  25  -4.449 -10.577   8.230
  182    H    GLY  26           H        GLY  26  -4.988  -4.096   4.115
  183   1HA   GLY  26          1HA       GLY  26  -3.289  -2.485   2.114
  184   2HA   GLY  26          2HA       GLY  26  -5.039  -2.438   1.972
  185    H    LYS  27           H        LYS  27  -2.292  -1.530   3.872
  186    HA   LYS  27           HA       LYS  27  -3.993   0.355   5.614
  187   1HB   LYS  27          1HB       LYS  27  -2.747  -1.434   6.903
  188   2HB   LYS  27          2HB       LYS  27  -1.219  -0.834   6.267
  189   1HG   LYS  27          1HG       LYS  27  -1.695   1.423   7.369
  190   2HG   LYS  27          2HG       LYS  27  -3.206   0.776   8.009
  191   1HD   LYS  27          1HD       LYS  27  -1.912  -0.991   9.272
  192   2HD   LYS  27          2HD       LYS  27  -0.396  -0.366   8.643
  193   1HE   LYS  27          1HE       LYS  27  -2.363   1.251  10.411
  194   2HE   LYS  27          2HE       LYS  27  -0.971   0.360  11.019
  195   1HZ   LYS  27          1HZ       LYS  27   0.484   1.791   9.690
  196   2HZ   LYS  27          2HZ       LYS  27  -0.810   2.639   9.108
  197   3HZ   LYS  27          3HZ       LYS  27  -0.444   2.691  10.718
  198    H    CYS  28           H        CYS  28  -3.775   2.394   5.002
  199    HA   CYS  28           HA       CYS  28  -1.649   3.134   3.000
  200   1HB   CYS  28          1HB       CYS  28  -4.138   3.656   2.636
  201   2HB   CYS  28          2HB       CYS  28  -3.974   4.950   3.831
  202    H    MET  29           H        MET  29  -0.023   4.394   3.347
  203    HA   MET  29           HA       MET  29   0.358   5.999   5.925
  204   1HB   MET  29          1HB       MET  29   2.328   5.390   3.625
  205   2HB   MET  29          2HB       MET  29   2.704   6.358   5.042
  206   1HG   MET  29          1HG       MET  29   1.980   3.373   5.147
  207   2HG   MET  29          2HG       MET  29   3.596   4.075   5.312
  208   1HE   MET  29          2HE       MET  29   3.689   2.594   7.615
  209   2HE   MET  29          1HE       MET  29   2.559   2.843   8.980
  210   3HE   MET  29          3HE       MET  29   1.969   2.114   7.457
  211    H    ASN  30           H        ASN  30   1.913   8.119   4.699
  212    HA   ASN  30           HA       ASN  30  -0.319   9.999   4.486
  213   1HB   ASN  30          1HB       ASN  30   2.686  10.459   3.980
  214   2HB   ASN  30          2HB       ASN  30   1.490  11.741   3.973
  215   1HD2  ASN  30          1HD2      ASN  30   1.224  11.845   7.569
  216   2HD2  ASN  30          2HD2      ASN  30   0.430  12.331   5.982
  217    H    ARG  31           H        ARG  31  -1.591   9.747   2.868
  218    HA   ARG  31           HA       ARG  31  -2.576   9.638   0.765
  219   1HB   ARG  31          1HB       ARG  31  -0.243  11.362  -0.251
  220   2HB   ARG  31          2HB       ARG  31  -1.787  11.128  -1.052
  221   1HG   ARG  31          1HG       ARG  31  -1.387  12.623   1.607
  222   2HG   ARG  31          2HG       ARG  31  -1.580  13.319   0.020
  223   1HD   ARG  31          1HD       ARG  31  -3.696  13.601   0.958
  224   2HD   ARG  31          2HD       ARG  31  -3.929  12.233  -0.133
  225    HE   ARG  31           HE       ARG  31  -3.315  11.077   2.440
  226   1HH1  ARG  31          2HH2      ARG  31  -5.878  13.160   1.126
  227   2HH1  ARG  31          1HH2      ARG  31  -7.069  12.486   2.347
  228   1HH2  ARG  31          1HH1      ARG  31  -4.749  10.378   3.778
  229   2HH2  ARG  31          2HH1      ARG  31  -6.470  11.014   3.748
  230    H    LYS  32           H        LYS  32  -0.376   7.505   1.326
  231    HA   LYS  32           HA       LYS  32  -0.271   6.431  -1.549
  232   1HB   LYS  32          1HB       LYS  32   2.210   6.766   0.268
  233   2HB   LYS  32          2HB       LYS  32   2.157   5.737  -1.160
  234   1HG   LYS  32          2HG       LYS  32   1.591   7.729  -2.604
  235   2HG   LYS  32          1HG       LYS  32   1.738   8.782  -1.195
  236   1HD   LYS  32          1HD       LYS  32   4.128   8.049  -0.877
  237   2HD   LYS  32          2HD       LYS  32   4.020   6.991  -2.275
  238   1HE   LYS  32          1HE       LYS  32   3.644  10.068  -2.370
  239   2HE   LYS  32          2HE       LYS  32   5.163   9.235  -2.687
  240   1HZ   LYS  32          2HZ       LYS  32   4.112   8.100  -4.569
  241   2HZ   LYS  32          3HZ       LYS  32   2.680   8.874  -4.289
  242   3HZ   LYS  32          1HZ       LYS  32   4.012   9.740  -4.740
  243    H    CYS  33           H        CYS  33  -0.967   4.456  -1.557
  244    HA   CYS  33           HA       CYS  33  -1.600   2.827   0.739
  245   1HB   CYS  33          1HB       CYS  33  -1.323   2.127  -2.248
  246   2HB   CYS  33          2HB       CYS  33  -1.884   0.948  -1.052
  247    H    HIS  34           H        HIS  34  -0.623   1.224   1.834
  248    HA   HIS  34           HA       HIS  34   1.946  -0.065   0.743
  249   1HB   HIS  34          1HB       HIS  34   1.378   0.742   3.658
  250   2HB   HIS  34          2HB       HIS  34   2.466  -0.564   3.251
  251    HD1  HIS  34           HD1      HIS  34   4.961   0.125   3.043
  252    HD2  HIS  34           HD2      HIS  34   2.144   3.257   2.223
  253    HE1  HIS  34           HE1      HIS  34   6.186   2.357   2.656
  254    HE2  HIS  34           HE2      HIS  34   4.578   4.310   2.154
  255    H    CYS  35           H        CYS  35   1.235  -1.864  -0.023
  256    HA   CYS  35           HA       CYS  35  -0.976  -3.489   1.247
  257   1HB   CYS  35          1HB       CYS  35   0.606  -3.874  -1.375
  258   2HB   CYS  35          2HB       CYS  35  -0.656  -4.977  -0.787
  259    H    THR  36           H        THR  36  -0.616  -5.370   2.353
  260    HA   THR  36           HA       THR  36   2.194  -6.056   3.195
  261    HB   THR  36           HB       THR  36  -0.480  -7.259   4.108
  262    HG1  THR  36           HG1      THR  36  -0.044  -5.993   5.923
  263   1HG2  THR  36          3HG2      THR  36   2.337  -7.550   5.350
  264   2HG2  THR  36          1HG2      THR  36   0.812  -8.115   6.079
  265   3HG2  THR  36          2HG2      THR  36   1.402  -8.853   4.575
  266    HA   PRO  37           HA       PRO  37   1.964  -8.782  -0.472
  267   1HB   PRO  37          1HB       PRO  37   4.545  -9.824  -0.542
  268   2HB   PRO  37          2HB       PRO  37   4.126  -8.155  -0.940
  269   1HG   PRO  37          1HG       PRO  37   5.194  -9.222   1.719
  270   2HG   PRO  37          2HG       PRO  37   5.761  -7.806   0.800
  271   1HD   PRO  37          1HD       PRO  37   4.004  -7.575   2.931
  272   2HD   PRO  37          2HD       PRO  37   3.908  -6.465   1.533
  273    H    LYS  38           H        LYS  38   1.372 -10.767  -0.999
  274    HA   LYS  38           HA       LYS  38   0.943 -12.846   1.113
  275   1HB   LYS  38          1HB       LYS  38  -0.811 -12.278  -0.603
  276   2HB   LYS  38          2HB       LYS  38   0.245 -12.816  -1.892
  277   1HG   LYS  38          1HG       LYS  38  -1.370 -14.533  -1.531
  278   2HG   LYS  38          2HG       LYS  38   0.167 -15.175  -0.977
  279   1HD   LYS  38          1HD       LYS  38  -0.539 -14.631   1.446
  280   2HD   LYS  38          2HD       LYS  38  -2.063 -14.022   0.816
  281   1HE   LYS  38          1HE       LYS  38  -2.513 -16.232   1.624
  282   2HE   LYS  38          2HE       LYS  38  -2.591 -16.335  -0.133
  283   1HZ   LYS  38          3HZ       LYS  38  -0.260 -17.154   1.547
  284   2HZ   LYS  38          1HZ       LYS  38  -1.338 -18.174   0.823
  285   3HZ   LYS  38          2HZ       LYS  38  -0.316 -17.261  -0.100
   
  No H/Q in entry =         285
  Start of MODEL          15
 Raw file had  289 H/Q atoms
  Start of MODEL   15
    1   1H    GLY   1          1H        GLY   1   6.107  -3.821   4.444
    2   2H    GLY   1          2H        GLY   1   4.646  -4.194   5.121
    3   3H    GLY   1          3H        GLY   1   5.028  -4.761   3.617
    4   1HA   GLY   1          1HA       GLY   1   3.436  -2.893   3.476
    5   2HA   GLY   1          2HA       GLY   1   4.593  -1.906   4.358
    6    H    VAL   2           H        VAL   2   4.080  -3.672   1.354
    7    HA   VAL   2           HA       VAL   2   6.384  -2.259  -0.020
    8    HB   VAL   2           HB       VAL   2   5.928  -3.657  -2.013
    9   1HG1  VAL   2          3HG2      VAL   2   7.692  -4.267  -0.357
   10   2HG1  VAL   2          1HG2      VAL   2   6.527  -5.264   0.548
   11   3HG1  VAL   2          2HG2      VAL   2   6.987  -5.707  -1.115
   12   1HG2  VAL   2          2HG1      VAL   2   3.528  -4.360  -1.707
   13   2HG2  VAL   2          3HG1      VAL   2   4.595  -5.762  -1.862
   14   3HG2  VAL   2          1HG1      VAL   2   3.975  -5.293  -0.263
   15    HA   PRO   3           HA       PRO   3   3.144   0.687  -1.192
   16   1HB   PRO   3          1HB       PRO   3   4.639   2.670  -2.450
   17   2HB   PRO   3          2HB       PRO   3   4.648   2.353  -0.713
   18   1HG   PRO   3          1HG       PRO   3   6.659   1.362  -2.795
   19   2HG   PRO   3          2HG       PRO   3   7.000   2.130  -1.225
   20   1HD   PRO   3          1HD       PRO   3   7.054  -0.619  -1.557
   21   2HD   PRO   3          2HD       PRO   3   6.511   0.118  -0.017
   22    H    ILE   4           H        ILE   4   1.696   0.808  -2.714
   23    HA   ILE   4           HA       ILE   4   2.391   0.327  -5.664
   24    HB   ILE   4           HB       ILE   4   0.077  -0.258  -6.117
   25   1HG1  ILE   4          1HG1      ILE   4  -0.554  -0.471  -3.115
   26   2HG1  ILE   4          2HG1      ILE   4  -0.998   0.923  -4.084
   27   1HG2  ILE   4          2HG2      ILE   4   1.765  -2.053  -5.712
   28   2HG2  ILE   4          3HG2      ILE   4   1.264  -2.157  -4.008
   29   3HG2  ILE   4          1HG2      ILE   4   0.127  -2.584  -5.308
   30   1HD1  ILE   4          2HD1      ILE   4  -2.388  -0.513  -5.623
   31   2HD1  ILE   4          3HD1      ILE   4  -2.017  -1.935  -4.618
   32   3HD1  ILE   4          1HD1      ILE   4  -2.930  -0.574  -3.929
   33    H    ASN   5           H        ASN   5   1.214   1.620  -7.170
   34    HA   ASN   5           HA       ASN   5   1.195   4.512  -6.351
   35   1HB   ASN   5          1HB       ASN   5   1.108   5.103  -8.670
   36   2HB   ASN   5          2HB       ASN   5   2.390   3.965  -8.344
   37   1HD2  ASN   5          1HD2      ASN   5  -0.117   2.988 -11.313
   38   2HD2  ASN   5          2HD2      ASN   5  -0.115   4.633 -10.489
   39    H    VAL   6           H        VAL   6  -0.548   4.460  -4.956
   40    HA   VAL   6           HA       VAL   6  -3.264   4.978  -6.220
   41    HB   VAL   6           HB       VAL   6  -2.774   2.862  -4.028
   42   1HG1  VAL   6          1HG2      VAL   6  -5.520   4.056  -4.801
   43   2HG1  VAL   6          2HG2      VAL   6  -5.254   2.641  -3.746
   44   3HG1  VAL   6          3HG2      VAL   6  -4.705   4.237  -3.230
   45   1HG2  VAL   6          1HG1      VAL   6  -4.265   2.672  -6.731
   46   2HG2  VAL   6          2HG1      VAL   6  -2.701   1.922  -6.332
   47   3HG2  VAL   6          3HG1      VAL   6  -4.166   1.374  -5.516
   48    H    SER   7           H        SER   7  -3.591   6.976  -5.604
   49    HA   SER   7           HA       SER   7  -2.323   8.162  -3.163
   50   1HB   SER   7          1HB       SER   7  -3.214  10.334  -3.914
   51   2HB   SER   7          2HB       SER   7  -2.278   9.511  -5.161
   52    HG   SER   7           HG       SER   7  -4.260   8.804  -6.073
   53    H    CYS   8           H        CYS   8  -3.231   7.975  -1.281
   54    HA   CYS   8           HA       CYS   8  -6.056   7.056  -0.970
   55   1HB   CYS   8          1HB       CYS   8  -3.978   7.571   1.259
   56   2HB   CYS   8          2HB       CYS   8  -5.464   6.623   1.371
   57    H    THR   9           H        THR   9  -7.523   7.737   0.469
   58    HA   THR   9           HA       THR   9  -7.475  10.607   1.528
   59    HB   THR   9           HB       THR   9  -9.414  10.096   0.050
   60    HG1  THR   9           HG1      THR   9  -9.973  10.635   2.765
   61   1HG2  THR   9          2HG2      THR   9  -9.982   7.702   0.803
   62   2HG2  THR   9          3HG2      THR   9 -10.590   8.381   2.329
   63   3HG2  THR   9          1HG2      THR   9 -11.360   8.828   0.790
   64    H    GLY  10           H        GLY  10  -8.137   7.209   2.419
   65   1HA   GLY  10          2HA       GLY  10  -6.755   7.572   5.057
   66   2HA   GLY  10          1HA       GLY  10  -8.443   7.045   5.200
   67    H    SER  11           H        SER  11  -7.710   5.020   6.024
   68    HA   SER  11           HA       SER  11  -5.899   3.192   4.566
   69   1HB   SER  11          1HB       SER  11  -7.833   2.564   6.870
   70   2HB   SER  11          2HB       SER  11  -6.683   1.421   6.174
   71    HG   SER  11           HG       SER  11  -5.852   2.514   7.955
   72    HA   PRO  12           HA       PRO  12  -9.947   0.709   3.137
   73   1HB   PRO  12          1HB       PRO  12 -11.699   3.141   2.472
   74   2HB   PRO  12          2HB       PRO  12 -12.198   1.489   2.901
   75   1HG   PRO  12          2HG       PRO  12 -12.245   3.410   4.808
   76   2HG   PRO  12          1HG       PRO  12 -11.582   1.810   5.226
   77   1HD   PRO  12          1HD       PRO  12 -10.033   4.363   4.532
   78   2HD   PRO  12          2HD       PRO  12  -9.726   3.170   5.826
   79    H    GLN  13           H        GLN  13  -9.039   3.736   1.435
   80    HA   GLN  13           HA       GLN  13  -9.647   2.766  -1.269
   81   1HB   GLN  13          1HB       GLN  13  -7.789   5.012  -0.255
   82   2HB   GLN  13          2HB       GLN  13  -7.840   4.581  -1.951
   83   1HG   GLN  13          2HG       GLN  13 -10.400   4.873  -1.908
   84   2HG   GLN  13          1HG       GLN  13 -10.231   5.555  -0.295
   85   1HE2  GLN  13          1HE2      GLN  13 -10.302   8.445  -2.621
   86   2HE2  GLN  13          2HE2      GLN  13 -11.424   7.128  -1.994
   87    H    CYS  14           H        CYS  14  -6.811   2.041   0.694
   88    HA   CYS  14           HA       CYS  14  -5.307   0.820  -1.629
   89   1HB   CYS  14          1HB       CYS  14  -4.774   0.709   1.416
   90   2HB   CYS  14          2HB       CYS  14  -3.671   0.131   0.149
   91    H    ILE  15           H        ILE  15  -7.576  -0.392   0.843
   92    HA   ILE  15           HA       ILE  15  -6.654  -3.119   0.950
   93    HB   ILE  15           HB       ILE  15  -9.501  -2.142   1.521
   94   1HG1  ILE  15          2HG1      ILE  15  -7.111  -2.479   3.455
   95   2HG1  ILE  15          1HG1      ILE  15  -7.728  -0.945   2.879
   96   1HG2  ILE  15          2HG2      ILE  15  -9.413  -4.656   1.278
   97   2HG2  ILE  15          3HG2      ILE  15  -8.091  -4.737   2.467
   98   3HG2  ILE  15          1HG2      ILE  15  -9.722  -4.205   2.949
   99   1HD1  ILE  15          2HD1      ILE  15  -9.977  -1.436   4.000
  100   2HD1  ILE  15          3HD1      ILE  15  -9.210  -2.861   4.755
  101   3HD1  ILE  15          1HD1      ILE  15  -8.587  -1.231   5.097
  102    H    LYS  16           H        LYS  16  -9.412  -1.910  -1.095
  103    HA   LYS  16           HA       LYS  16  -9.753  -4.491  -2.455
  104   1HB   LYS  16          2HB       LYS  16 -11.586  -2.912  -2.224
  105   2HB   LYS  16          1HB       LYS  16 -10.791  -1.709  -3.205
  106   1HG   LYS  16          1HG       LYS  16 -10.920  -3.311  -5.208
  107   2HG   LYS  16          2HG       LYS  16 -11.679  -4.499  -4.163
  108   1HD   LYS  16          1HD       LYS  16 -13.439  -3.546  -5.378
  109   2HD   LYS  16          2HD       LYS  16 -13.635  -2.882  -3.773
  110   1HE   LYS  16          1HE       LYS  16 -12.252  -1.363  -6.112
  111   2HE   LYS  16          2HE       LYS  16 -13.989  -1.315  -5.825
  112   1HZ   LYS  16          2HZ       LYS  16 -13.580  -0.343  -3.637
  113   2HZ   LYS  16          3HZ       LYS  16 -11.946  -0.376  -3.880
  114   3HZ   LYS  16          1HZ       LYS  16 -12.903   0.579  -4.829
  115    HA   PRO  17           HA       PRO  17  -6.971  -2.723  -6.239
  116   1HB   PRO  17          1HB       PRO  17  -5.294  -0.859  -4.447
  117   2HB   PRO  17          2HB       PRO  17  -5.528  -0.777  -6.203
  118   1HG   PRO  17          1HG       PRO  17  -6.997   0.837  -4.639
  119   2HG   PRO  17          2HG       PRO  17  -7.836  -0.039  -5.939
  120   1HD   PRO  17          1HD       PRO  17  -7.776  -0.735  -2.953
  121   2HD   PRO  17          2HD       PRO  17  -9.141  -0.759  -4.108
  122    H    CYS  18           H        CYS  18  -5.375  -2.879  -3.018
  123    HA   CYS  18           HA       CYS  18  -3.085  -4.522  -3.870
  124   1HB   CYS  18          1HB       CYS  18  -4.280  -3.870  -1.110
  125   2HB   CYS  18          2HB       CYS  18  -2.889  -4.925  -1.311
  126    H    LYS  19           H        LYS  19  -6.142  -5.517  -2.192
  127    HA   LYS  19           HA       LYS  19  -5.523  -8.350  -2.088
  128   1HB   LYS  19          1HB       LYS  19  -7.309  -7.100  -0.776
  129   2HB   LYS  19          2HB       LYS  19  -8.316  -7.044  -2.217
  130   1HG   LYS  19          2HG       LYS  19  -8.390  -9.575  -2.241
  131   2HG   LYS  19          1HG       LYS  19  -7.295  -9.625  -0.858
  132   1HD   LYS  19          1HD       LYS  19  -8.997  -8.363   0.531
  133   2HD   LYS  19          2HD       LYS  19 -10.109  -8.327  -0.829
  134   1HE   LYS  19          1HE       LYS  19  -9.058 -10.915   0.518
  135   2HE   LYS  19          2HE       LYS  19 -10.577 -10.121   0.924
  136   1HZ   LYS  19          1HZ       LYS  19 -11.344 -10.495  -1.357
  137   2HZ   LYS  19          2HZ       LYS  19  -9.928 -11.247  -1.754
  138   3HZ   LYS  19          3HZ       LYS  19 -10.935 -11.922  -0.632
  139    H    ASP  20           H        ASP  20  -7.409  -6.609  -4.589
  140    HA   ASP  20           HA       ASP  20  -7.756  -8.891  -6.408
  141   1HB   ASP  20          1HB       ASP  20  -7.721  -5.859  -7.010
  142   2HB   ASP  20          2HB       ASP  20  -8.095  -7.072  -8.215
  143    H    ALA  21           H        ALA  21  -5.035  -6.550  -6.207
  144    HA   ALA  21           HA       ALA  21  -3.572  -7.542  -8.564
  145   1HB   ALA  21          2HB       ALA  21  -3.057  -5.335  -7.519
  146   2HB   ALA  21          3HB       ALA  21  -2.500  -6.130  -6.026
  147   3HB   ALA  21          1HB       ALA  21  -1.603  -6.356  -7.542
  148    H    GLY  22           H        GLY  22  -3.147  -8.335  -5.091
  149   1HA   GLY  22          2HA       GLY  22  -2.862 -11.047  -5.025
  150   2HA   GLY  22          1HA       GLY  22  -1.296 -10.673  -5.738
  151    H    MET  23           H        MET  23  -3.202  -9.154  -3.122
  152    HA   MET  23           HA       MET  23  -0.934  -9.669  -1.124
  153   1HB   MET  23          1HB       MET  23  -2.492  -7.037  -1.205
  154   2HB   MET  23          2HB       MET  23  -1.063  -7.409  -0.268
  155   1HG   MET  23          1HG       MET  23  -1.098  -6.989  -3.315
  156   2HG   MET  23          2HG       MET  23  -0.564  -5.833  -2.094
  157   1HE   MET  23          3HE       MET  23   1.758  -5.509  -3.252
  158   2HE   MET  23          2HE       MET  23   2.849  -6.851  -3.706
  159   3HE   MET  23          1HE       MET  23   1.280  -6.652  -4.546
  160    H    ARG  24           H        ARG  24  -1.690  -9.018   1.117
  161    HA   ARG  24           HA       ARG  24  -4.346 -10.410   1.752
  162   1HB   ARG  24          1HB       ARG  24  -1.980  -9.796   3.624
  163   2HB   ARG  24          2HB       ARG  24  -3.534 -10.426   4.146
  164   1HG   ARG  24          2HG       ARG  24  -3.231 -12.458   2.686
  165   2HG   ARG  24          1HG       ARG  24  -1.648 -11.877   2.200
  166   1HD   ARG  24          2HD       ARG  24  -2.440 -12.484   5.126
  167   2HD   ARG  24          1HD       ARG  24  -1.665 -13.643   4.039
  168    HE   ARG  24           HE       ARG  24   0.028 -11.291   4.050
  169   1HH1  ARG  24          2HH2      ARG  24  -0.979 -13.826   6.331
  170   2HH1  ARG  24          1HH2      ARG  24   0.617 -13.678   7.222
  171   1HH2  ARG  24          1HH1      ARG  24   1.809 -11.209   5.139
  172   2HH2  ARG  24          2HH1      ARG  24   2.088 -12.297   6.592
  173    H    PHE  25           H        PHE  25  -2.464  -7.603   3.023
  174    HA   PHE  25           HA       PHE  25  -5.120  -6.176   3.617
  175   1HB   PHE  25          1HB       PHE  25  -2.440  -5.898   5.132
  176   2HB   PHE  25          2HB       PHE  25  -3.931  -5.091   5.522
  177    HD1  PHE  25           HD2      PHE  25  -6.008  -6.497   6.233
  178    HD2  PHE  25           HD1      PHE  25  -2.039  -8.151   6.042
  179    HE1  PHE  25           HE2      PHE  25  -6.706  -8.373   7.667
  180    HE2  PHE  25           HE1      PHE  25  -2.754 -10.016   7.469
  181    HZ   PHE  25           HZ       PHE  25  -5.086 -10.135   8.284
  182    H    GLY  26           H        GLY  26  -4.938  -3.877   3.791
  183   1HA   GLY  26          2HA       GLY  26  -2.896  -2.483   1.967
  184   2HA   GLY  26          1HA       GLY  26  -4.601  -2.212   1.661
  185    H    LYS  27           H        LYS  27  -1.951  -1.672   3.859
  186    HA   LYS  27           HA       LYS  27  -3.642   0.053   5.745
  187   1HB   LYS  27          1HB       LYS  27  -2.203  -1.782   6.718
  188   2HB   LYS  27          2HB       LYS  27  -0.761  -1.012   6.065
  189   1HG   LYS  27          2HG       LYS  27  -1.374   1.082   7.457
  190   2HG   LYS  27          1HG       LYS  27  -2.685   0.167   8.182
  191   1HD   LYS  27          1HD       LYS  27   0.331  -0.545   8.356
  192   2HD   LYS  27          2HD       LYS  27  -0.585   0.338   9.552
  193   1HE   LYS  27          1HE       LYS  27  -0.496  -1.802  10.490
  194   2HE   LYS  27          2HE       LYS  27  -2.129  -1.738   9.836
  195   1HZ   LYS  27          1HZ       LYS  27   0.216  -3.062   8.540
  196   2HZ   LYS  27          2HZ       LYS  27  -1.025  -3.828   9.315
  197   3HZ   LYS  27          3HZ       LYS  27  -1.307  -3.020   7.902
  198    H    CYS  28           H        CYS  28  -3.782   2.044   4.890
  199    HA   CYS  28           HA       CYS  28  -1.583   3.107   3.134
  200   1HB   CYS  28          1HB       CYS  28  -4.097   3.252   2.520
  201   2HB   CYS  28          2HB       CYS  28  -4.171   4.633   3.627
  202    H    MET  29           H        MET  29  -0.106   4.422   3.786
  203    HA   MET  29           HA       MET  29  -0.285   6.069   6.345
  204   1HB   MET  29          1HB       MET  29   2.034   5.772   4.326
  205   2HB   MET  29          2HB       MET  29   2.094   6.684   5.826
  206   1HG   MET  29          1HG       MET  29   1.745   3.639   5.655
  207   2HG   MET  29          2HG       MET  29   3.201   4.512   6.146
  208   1HE   MET  29          1HE       MET  29   2.773   2.600   8.249
  209   2HE   MET  29          3HE       MET  29   1.403   2.761   9.388
  210   3HE   MET  29          2HE       MET  29   1.106   2.233   7.707
  211    H    ASN  30           H        ASN  30   1.116   8.384   5.456
  212    HA   ASN  30           HA       ASN  30  -1.253   9.986   4.833
  213   1HB   ASN  30          1HB       ASN  30   1.715  10.820   4.907
  214   2HB   ASN  30          2HB       ASN  30   0.397  11.949   4.657
  215   1HD2  ASN  30          1HD2      ASN  30  -0.550  11.990   8.132
  216   2HD2  ASN  30          2HD2      ASN  30  -1.058  12.422   6.417
  217    H    ARG  31           H        ARG  31  -2.164   9.666   3.004
  218    HA   ARG  31           HA       ARG  31  -2.742   9.664   0.747
  219   1HB   ARG  31          1HB       ARG  31  -0.303  11.495   0.351
  220   2HB   ARG  31          2HB       ARG  31  -1.533  11.203  -0.864
  221   1HG   ARG  31          1HG       ARG  31  -3.290  12.258   0.402
  222   2HG   ARG  31          2HG       ARG  31  -2.335  12.355   1.866
  223   1HD   ARG  31          1HD       ARG  31  -1.717  13.895  -0.731
  224   2HD   ARG  31          2HD       ARG  31  -2.548  14.563   0.658
  225    HE   ARG  31           HE       ARG  31   0.396  14.143   0.384
  226   1HH1  ARG  31          2HH2      ARG  31  -2.179  14.543   2.807
  227   2HH1  ARG  31          1HH2      ARG  31  -0.939  15.077   4.050
  228   1HH2  ARG  31          1HH1      ARG  31   1.710  14.758   1.878
  229   2HH2  ARG  31          2HH1      ARG  31   1.112  15.189   3.559
  230    H    LYS  32           H        LYS  32  -0.483   7.596   1.663
  231    HA   LYS  32           HA       LYS  32  -0.039   6.531  -1.167
  232   1HB   LYS  32          1HB       LYS  32   2.255   7.107   0.827
  233   2HB   LYS  32          2HB       LYS  32   2.424   5.999  -0.517
  234   1HG   LYS  32          2HG       LYS  32   1.853   8.999  -0.762
  235   2HG   LYS  32          1HG       LYS  32   3.390   8.207  -1.013
  236   1HD   LYS  32          1HD       LYS  32   0.883   7.881  -2.778
  237   2HD   LYS  32          2HD       LYS  32   2.312   8.829  -3.143
  238   1HE   LYS  32          1HE       LYS  32   3.720   6.700  -3.183
  239   2HE   LYS  32          2HE       LYS  32   2.264   5.745  -2.860
  240   1HZ   LYS  32          1HZ       LYS  32   2.661   7.492  -5.238
  241   2HZ   LYS  32          2HZ       LYS  32   2.740   5.841  -5.219
  242   3HZ   LYS  32          3HZ       LYS  32   1.303   6.603  -4.928
  243    H    CYS  33           H        CYS  33  -0.537   4.535  -1.246
  244    HA   CYS  33           HA       CYS  33  -1.258   2.788   0.901
  245   1HB   CYS  33          1HB       CYS  33  -0.435   2.128  -2.011
  246   2HB   CYS  33          2HB       CYS  33  -1.153   0.944  -0.904
  247    H    HIS  34           H        HIS  34  -0.330   1.146   2.057
  248    HA   HIS  34           HA       HIS  34   2.369  -0.004   1.211
  249   1HB   HIS  34          1HB       HIS  34   1.755   1.027   4.058
  250   2HB   HIS  34          2HB       HIS  34   3.016  -0.138   3.711
  251    HD1  HIS  34           HD1      HIS  34   5.140   0.684   2.078
  252    HD2  HIS  34           HD2      HIS  34   2.250   3.623   3.248
  253    HE1  HIS  34           HE1      HIS  34   5.970   3.038   1.491
  254    HE2  HIS  34           HE2      HIS  34   4.322   4.890   2.187
  255    H    CYS  35           H        CYS  35   1.623  -1.896   0.623
  256    HA   CYS  35           HA       CYS  35  -0.567  -3.312   2.182
  257   1HB   CYS  35          1HB       CYS  35   0.502  -3.673  -0.693
  258   2HB   CYS  35          2HB       CYS  35  -0.779  -4.655   0.035
  259    H    THR  36           H        THR  36  -0.506  -5.460   2.716
  260    HA   THR  36           HA       THR  36   2.251  -6.562   3.437
  261    HB   THR  36           HB       THR  36  -0.532  -7.300   4.499
  262    HG1  THR  36           HG1      THR  36   0.233  -6.211   6.318
  263   1HG2  THR  36          3HG2      THR  36   2.252  -8.146   5.547
  264   2HG2  THR  36          1HG2      THR  36   0.688  -8.463   6.343
  265   3HG2  THR  36          2HG2      THR  36   1.057  -9.226   4.783
  266    HA   PRO  37           HA       PRO  37   1.217  -9.107  -0.293
  267   1HB   PRO  37          1HB       PRO  37   3.885 -10.493   0.345
  268   2HB   PRO  37          2HB       PRO  37   3.283  -9.896  -1.215
  269   1HG   PRO  37          1HG       PRO  37   5.104  -8.434   0.161
  270   2HG   PRO  37          2HG       PRO  37   3.718  -7.610  -0.595
  271   1HD   PRO  37          1HD       PRO  37   4.032  -8.417   2.357
  272   2HD   PRO  37          2HD       PRO  37   3.499  -6.865   1.659
  273    H    LYS  38           H        LYS  38   0.724 -11.175  -0.986
  274    HA   LYS  38           HA       LYS  38   0.049 -13.203   1.213
  275   1HB   LYS  38          1HB       LYS  38  -1.837 -12.113  -0.098
  276   2HB   LYS  38          2HB       LYS  38  -1.233 -12.842  -1.574
  277   1HG   LYS  38          1HG       LYS  38  -1.699 -15.125  -0.674
  278   2HG   LYS  38          2HG       LYS  38  -2.029 -14.467   0.921
  279   1HD   LYS  38          1HD       LYS  38  -4.125 -15.011  -0.027
  280   2HD   LYS  38          2HD       LYS  38  -4.073 -13.268   0.067
  281   1HE   LYS  38          1HE       LYS  38  -3.466 -14.845  -2.543
  282   2HE   LYS  38          2HE       LYS  38  -5.098 -14.393  -2.058
  283   1HZ   LYS  38          2HZ       LYS  38  -4.446 -12.055  -2.109
  284   2HZ   LYS  38          3HZ       LYS  38  -2.910 -12.449  -2.571
  285   3HZ   LYS  38          1HZ       LYS  38  -4.182 -12.775  -3.573
   
  No H/Q in entry =         285
  Start of MODEL          16
 Raw file had  289 H/Q atoms
  Start of MODEL   16
    1   1H    GLY   1          3H        GLY   1   4.099  -4.284   4.786
    2   2H    GLY   1          1H        GLY   1   5.741  -4.347   4.607
    3   3H    GLY   1          2H        GLY   1   5.084  -3.625   5.939
    4   1HA   GLY   1          1HA       GLY   1   4.114  -1.849   4.616
    5   2HA   GLY   1          2HA       GLY   1   5.866  -1.901   4.438
    6    H    VAL   2           H        VAL   2   6.663  -2.214   2.427
    7    HA   VAL   2           HA       VAL   2   6.878  -2.465   0.132
    8    HB   VAL   2           HB       VAL   2   4.550  -4.442   0.256
    9   1HG1  VAL   2          1HG2      VAL   2   6.665  -4.040  -1.964
   10   2HG1  VAL   2          2HG2      VAL   2   5.477  -5.366  -1.884
   11   3HG1  VAL   2          3HG2      VAL   2   4.925  -3.702  -2.107
   12   1HG2  VAL   2          1HG1      VAL   2   7.610  -4.899   0.407
   13   2HG2  VAL   2          2HG1      VAL   2   6.425  -5.215   1.700
   14   3HG2  VAL   2          3HG1      VAL   2   6.400  -6.187   0.221
   15    HA   PRO   3           HA       PRO   3   3.668   0.807  -0.631
   16   1HB   PRO   3          1HB       PRO   3   5.238   2.696  -1.936
   17   2HB   PRO   3          2HB       PRO   3   5.212   2.438  -0.194
   18   1HG   PRO   3          2HG       PRO   3   7.230   1.344  -2.204
   19   2HG   PRO   3          1HG       PRO   3   7.558   2.130  -0.641
   20   1HD   PRO   3          1HD       PRO   3   7.549  -0.622  -0.946
   21   2HD   PRO   3          2HD       PRO   3   7.015   0.138   0.585
   22    H    ILE   4           H        ILE   4   2.224   0.787  -2.169
   23    HA   ILE   4           HA       ILE   4   2.993   0.402  -5.115
   24    HB   ILE   4           HB       ILE   4   0.792  -0.365  -5.678
   25   1HG1  ILE   4          2HG1      ILE   4  -0.012  -0.641  -2.720
   26   2HG1  ILE   4          1HG1      ILE   4  -0.513   0.688  -3.748
   27   1HG2  ILE   4          2HG2      ILE   4   2.588  -2.035  -5.174
   28   2HG2  ILE   4          3HG2      ILE   4   1.985  -2.198  -3.507
   29   3HG2  ILE   4          1HG2      ILE   4   0.972  -2.698  -4.882
   30   1HD1  ILE   4          2HD1      ILE   4  -1.669  -0.861  -5.344
   31   2HD1  ILE   4          3HD1      ILE   4  -1.268  -2.238  -4.285
   32   3HD1  ILE   4          1HD1      ILE   4  -2.323  -0.936  -3.693
   33    H    ASN   5           H        ASN   5   2.261   1.911  -6.532
   34    HA   ASN   5           HA       ASN   5   1.711   4.612  -5.385
   35   1HB   ASN   5          1HB       ASN   5   2.089   5.541  -7.561
   36   2HB   ASN   5          2HB       ASN   5   3.371   4.460  -7.087
   37   1HD2  ASN   5          1HD2      ASN   5   1.708   3.761 -10.668
   38   2HD2  ASN   5          2HD2      ASN   5   1.335   5.253  -9.657
   39    H    VAL   6           H        VAL   6  -0.276   4.498  -4.513
   40    HA   VAL   6           HA       VAL   6  -2.670   4.785  -6.365
   41    HB   VAL   6           HB       VAL   6  -2.624   2.790  -4.004
   42   1HG1  VAL   6          3HG2      VAL   6  -4.829   3.980  -4.035
   43   2HG1  VAL   6          1HG2      VAL   6  -5.037   3.595  -5.763
   44   3HG1  VAL   6          2HG2      VAL   6  -5.013   2.298  -4.540
   45   1HG2  VAL   6          1HG1      VAL   6  -3.085   2.271  -7.017
   46   2HG2  VAL   6          2HG1      VAL   6  -1.685   1.735  -6.055
   47   3HG2  VAL   6          3HG1      VAL   6  -3.283   1.062  -5.721
   48    H    SER   7           H        SER   7  -3.509   6.654  -5.808
   49    HA   SER   7           HA       SER   7  -2.614   8.140  -3.430
   50   1HB   SER   7          1HB       SER   7  -3.930  10.045  -4.274
   51   2HB   SER   7          2HB       SER   7  -2.896   9.334  -5.510
   52    HG   SER   7           HG       SER   7  -4.982   9.777  -6.263
   53    H    CYS   8           H        CYS   8  -3.414   7.978  -1.493
   54    HA   CYS   8           HA       CYS   8  -6.093   6.720  -0.956
   55   1HB   CYS   8          1HB       CYS   8  -3.926   7.652   1.047
   56   2HB   CYS   8          2HB       CYS   8  -5.353   6.664   1.423
   57    H    THR   9           H        THR   9  -7.620   7.423   0.370
   58    HA   THR   9           HA       THR   9  -7.538  10.131   1.718
   59    HB   THR   9           HB       THR   9  -8.727  10.725  -0.276
   60    HG1  THR   9           HG1      THR   9 -10.588  11.451   0.738
   61   1HG2  THR   9          2HG2      THR   9  -9.765   8.607  -1.098
   62   2HG2  THR   9          3HG2      THR   9 -10.887   8.594   0.289
   63   3HG2  THR   9          1HG2      THR   9 -10.969   9.898  -0.917
   64    H    GLY  10           H        GLY  10  -6.793   8.432   3.172
   65   1HA   GLY  10          1HA       GLY  10  -7.523   7.530   5.416
   66   2HA   GLY  10          2HA       GLY  10  -9.050   7.020   4.720
   67    H    SER  11           H        SER  11  -7.397   5.369   6.159
   68    HA   SER  11           HA       SER  11  -5.792   3.501   4.541
   69   1HB   SER  11          1HB       SER  11  -7.076   3.077   7.298
   70   2HB   SER  11          2HB       SER  11  -6.002   1.926   6.498
   71    HG   SER  11           HG       SER  11  -4.901   3.325   7.870
   72    HA   PRO  12           HA       PRO  12  -9.843   0.614   4.162
   73   1HB   PRO  12          1HB       PRO  12 -11.820   2.931   3.793
   74   2HB   PRO  12          2HB       PRO  12 -12.131   1.273   4.358
   75   1HG   PRO  12          1HG       PRO  12 -11.927   3.262   6.184
   76   2HG   PRO  12          2HG       PRO  12 -11.095   1.721   6.512
   77   1HD   PRO  12          1HD       PRO  12  -9.884   4.323   5.433
   78   2HD   PRO  12          2HD       PRO  12  -9.250   3.226   6.697
   79    H    GLN  13           H        GLN  13  -9.146   3.545   2.350
   80    HA   GLN  13           HA       GLN  13 -10.218   2.787  -0.269
   81   1HB   GLN  13          1HB       GLN  13  -7.836   4.613   0.484
   82   2HB   GLN  13          2HB       GLN  13  -8.440   4.453  -1.148
   83   1HG   GLN  13          1HG       GLN  13 -10.054   5.551   1.226
   84   2HG   GLN  13          2HG       GLN  13  -9.274   6.490  -0.018
   85   1HE2  GLN  13          1HE2      GLN  13 -11.921   5.868  -2.432
   86   2HE2  GLN  13          2HE2      GLN  13 -10.150   6.337  -2.253
   87    H    CYS  14           H        CYS  14  -7.043   2.000   1.194
   88    HA   CYS  14           HA       CYS  14  -5.944   0.742  -1.264
   89   1HB   CYS  14          1HB       CYS  14  -5.046   0.525   1.679
   90   2HB   CYS  14          2HB       CYS  14  -4.091   0.035   0.267
   91    H    ILE  15           H        ILE  15  -8.236  -0.597   0.997
   92    HA   ILE  15           HA       ILE  15  -7.355  -3.326   1.168
   93    HB   ILE  15           HB       ILE  15 -10.225  -2.244   1.193
   94   1HG1  ILE  15          2HG1      ILE  15  -8.865  -1.103   2.909
   95   2HG1  ILE  15          1HG1      ILE  15 -10.153  -2.052   3.578
   96   1HG2  ILE  15          3HG2      ILE  15  -9.248  -4.954   2.279
   97   2HG2  ILE  15          1HG2      ILE  15 -10.857  -4.248   2.573
   98   3HG2  ILE  15          2HG2      ILE  15 -10.372  -4.683   0.929
   99   1HD1  ILE  15          3HD1      ILE  15  -7.172  -2.877   3.555
  100   2HD1  ILE  15          1HD1      ILE  15  -8.062  -2.215   4.942
  101   3HD1  ILE  15          2HD1      ILE  15  -8.480  -3.825   4.310
  102    H    LYS  16           H        LYS  16  -9.759  -2.063  -1.288
  103    HA   LYS  16           HA       LYS  16  -9.784  -4.566  -2.804
  104   1HB   LYS  16          1HB       LYS  16 -10.760  -1.726  -3.434
  105   2HB   LYS  16          2HB       LYS  16 -10.799  -2.972  -4.640
  106   1HG   LYS  16          1HG       LYS  16 -12.252  -3.023  -1.941
  107   2HG   LYS  16          2HG       LYS  16 -12.971  -2.678  -3.497
  108   1HD   LYS  16          1HD       LYS  16 -11.879  -5.415  -2.567
  109   2HD   LYS  16          2HD       LYS  16 -13.545  -4.915  -2.673
  110   1HE   LYS  16          1HE       LYS  16 -13.310  -6.255  -4.576
  111   2HE   LYS  16          2HE       LYS  16 -13.248  -4.627  -5.243
  112   1HZ   LYS  16          1HZ       LYS  16 -10.888  -6.371  -4.685
  113   2HZ   LYS  16          2HZ       LYS  16 -11.530  -6.055  -6.174
  114   3HZ   LYS  16          3HZ       LYS  16 -10.799  -4.847  -5.315
  115    HA   PRO  17           HA       PRO  17  -6.411  -2.542  -5.878
  116   1HB   PRO  17          1HB       PRO  17  -5.038  -0.854  -3.706
  117   2HB   PRO  17          2HB       PRO  17  -5.025  -0.628  -5.469
  118   1HG   PRO  17          1HG       PRO  17  -6.704   0.866  -3.934
  119   2HG   PRO  17          2HG       PRO  17  -7.301   0.191  -5.470
  120   1HD   PRO  17          2HD       PRO  17  -7.817  -0.813  -2.636
  121   2HD   PRO  17          1HD       PRO  17  -8.928  -0.716  -4.031
  122    H    CYS  18           H        CYS  18  -5.578  -3.129  -2.432
  123    HA   CYS  18           HA       CYS  18  -3.117  -4.669  -2.904
  124   1HB   CYS  18          1HB       CYS  18  -5.045  -4.697  -0.491
  125   2HB   CYS  18          2HB       CYS  18  -3.459  -5.481  -0.536
  126    H    LYS  19           H        LYS  19  -6.463  -5.851  -2.193
  127    HA   LYS  19           HA       LYS  19  -5.889  -8.680  -2.609
  128   1HB   LYS  19          2HB       LYS  19  -7.869  -7.656  -1.370
  129   2HB   LYS  19          1HB       LYS  19  -8.576  -7.195  -2.910
  130   1HG   LYS  19          1HG       LYS  19  -8.719  -9.652  -3.559
  131   2HG   LYS  19          2HG       LYS  19  -7.912 -10.088  -2.061
  132   1HD   LYS  19          1HD       LYS  19 -10.259 -10.497  -1.724
  133   2HD   LYS  19          2HD       LYS  19  -9.812  -9.138  -0.720
  134   1HE   LYS  19          1HE       LYS  19 -11.979  -8.645  -1.673
  135   2HE   LYS  19          2HE       LYS  19 -10.840  -7.540  -2.433
  136   1HZ   LYS  19          1HZ       LYS  19 -11.878 -10.059  -3.655
  137   2HZ   LYS  19          2HZ       LYS  19 -12.344  -8.524  -4.050
  138   3HZ   LYS  19          3HZ       LYS  19 -10.808  -9.032  -4.383
  139    H    ASP  20           H        ASP  20  -7.259  -6.311  -4.918
  140    HA   ASP  20           HA       ASP  20  -7.498  -8.055  -7.222
  141   1HB   ASP  20          1HB       ASP  20  -8.514  -5.727  -6.914
  142   2HB   ASP  20          2HB       ASP  20  -6.935  -5.014  -7.187
  143    H    ALA  21           H        ALA  21  -4.616  -6.167  -6.179
  144    HA   ALA  21           HA       ALA  21  -2.897  -6.950  -8.470
  145   1HB   ALA  21          2HB       ALA  21  -2.369  -4.949  -7.072
  146   2HB   ALA  21          3HB       ALA  21  -2.111  -5.973  -5.639
  147   3HB   ALA  21          1HB       ALA  21  -1.019  -6.099  -7.036
  148    H    GLY  22           H        GLY  22  -3.192  -8.235  -5.138
  149   1HA   GLY  22          1HA       GLY  22  -3.155 -10.871  -5.121
  150   2HA   GLY  22          2HA       GLY  22  -1.590 -10.752  -5.913
  151    H    MET  23           H        MET  23  -3.154  -9.136  -3.134
  152    HA   MET  23           HA       MET  23  -1.012 -10.076  -1.200
  153   1HB   MET  23          1HB       MET  23  -1.561  -7.063  -1.701
  154   2HB   MET  23          2HB       MET  23  -0.577  -7.719  -0.406
  155   1HG   MET  23          1HG       MET  23   0.945  -8.797  -2.245
  156   2HG   MET  23          2HG       MET  23   0.089  -7.741  -3.384
  157   1HE   MET  23          3HE       MET  23   1.818  -6.043  -4.163
  158   2HE   MET  23          2HE       MET  23   3.160  -5.450  -3.142
  159   3HE   MET  23          1HE       MET  23   3.021  -7.198  -3.504
  160    H    ARG  24           H        ARG  24  -1.549  -9.074   1.045
  161    HA   ARG  24           HA       ARG  24  -4.341 -10.153   1.587
  162   1HB   ARG  24          1HB       ARG  24  -2.006  -9.676   3.522
  163   2HB   ARG  24          2HB       ARG  24  -3.599 -10.232   4.008
  164   1HG   ARG  24          1HG       ARG  24  -3.369 -12.287   2.603
  165   2HG   ARG  24          2HG       ARG  24  -1.776 -11.771   2.075
  166   1HD   ARG  24          2HD       ARG  24  -2.570 -12.330   5.011
  167   2HD   ARG  24          1HD       ARG  24  -1.757 -13.487   3.951
  168    HE   ARG  24           HE       ARG  24  -0.011 -11.263   3.856
  169   1HH1  ARG  24          2HH2      ARG  24  -1.336 -13.199   6.528
  170   2HH1  ARG  24          1HH2      ARG  24   0.153 -12.842   7.540
  171   1HH2  ARG  24          1HH1      ARG  24   1.630 -10.923   5.092
  172   2HH2  ARG  24          2HH1      ARG  24   1.718 -11.639   6.780
  173    H    PHE  25           H        PHE  25  -2.500  -7.593   3.310
  174    HA   PHE  25           HA       PHE  25  -5.143  -6.215   3.874
  175   1HB   PHE  25          1HB       PHE  25  -2.414  -5.766   5.241
  176   2HB   PHE  25          2HB       PHE  25  -3.947  -5.114   5.743
  177    HD1  PHE  25           HD2      PHE  25  -5.807  -6.676   6.607
  178    HD2  PHE  25           HD1      PHE  25  -1.790  -8.067   5.934
  179    HE1  PHE  25           HE2      PHE  25  -6.247  -8.663   7.991
  180    HE2  PHE  25           HE1      PHE  25  -2.249 -10.044   7.311
  181    HZ   PHE  25           HZ       PHE  25  -4.475 -10.351   8.343
  182    H    GLY  26           H        GLY  26  -5.172  -3.956   4.050
  183   1HA   GLY  26          1HA       GLY  26  -3.457  -2.369   2.020
  184   2HA   GLY  26          2HA       GLY  26  -5.202  -2.213   2.035
  185    H    LYS  27           H        LYS  27  -2.267  -1.621   3.775
  186    HA   LYS  27           HA       LYS  27  -3.666   0.238   5.784
  187   1HB   LYS  27          1HB       LYS  27  -1.717   0.035   7.229
  188   2HB   LYS  27          2HB       LYS  27  -2.449  -1.524   6.925
  189   1HG   LYS  27          2HG       LYS  27  -0.573  -2.017   5.224
  190   2HG   LYS  27          1HG       LYS  27   0.181  -0.491   5.682
  191   1HD   LYS  27          1HD       LYS  27   0.335  -1.322   8.086
  192   2HD   LYS  27          2HD       LYS  27  -0.360  -2.864   7.568
  193   1HE   LYS  27          1HE       LYS  27   1.601  -3.166   5.936
  194   2HE   LYS  27          2HE       LYS  27   2.294  -1.649   6.520
  195   1HZ   LYS  27          1HZ       LYS  27   2.430  -2.636   8.748
  196   2HZ   LYS  27          2HZ       LYS  27   1.778  -4.053   8.204
  197   3HZ   LYS  27          3HZ       LYS  27   3.252  -3.556   7.649
  198    H    CYS  28           H        CYS  28  -3.570   2.305   5.174
  199    HA   CYS  28           HA       CYS  28  -1.534   3.104   3.066
  200   1HB   CYS  28          1HB       CYS  28  -4.040   3.436   2.661
  201   2HB   CYS  28          2HB       CYS  28  -3.967   4.802   3.788
  202    H    MET  29           H        MET  29   0.027   4.415   3.403
  203    HA   MET  29           HA       MET  29   0.320   6.128   5.914
  204   1HB   MET  29          1HB       MET  29   2.263   5.518   3.584
  205   2HB   MET  29          2HB       MET  29   2.623   6.634   4.885
  206   1HG   MET  29          1HG       MET  29   2.113   3.634   5.288
  207   2HG   MET  29          2HG       MET  29   3.677   4.448   5.339
  208   1HE   MET  29          2HE       MET  29   4.646   5.718   7.376
  209   2HE   MET  29          1HE       MET  29   3.503   7.067   7.082
  210   3HE   MET  29          3HE       MET  29   3.671   6.378   8.723
  211    H    ASN  30           H        ASN  30   1.637   8.344   4.831
  212    HA   ASN  30           HA       ASN  30  -0.710  10.029   4.387
  213   1HB   ASN  30          1HB       ASN  30   2.283  10.735   4.164
  214   2HB   ASN  30          2HB       ASN  30   0.991  11.913   4.029
  215   1HD2  ASN  30          1HD2      ASN  30   0.397  12.018   7.584
  216   2HD2  ASN  30          2HD2      ASN  30  -0.274  12.444   5.924
  217    H    ARG  31           H        ARG  31  -1.796   9.773   2.653
  218    HA   ARG  31           HA       ARG  31  -2.572   9.737   0.456
  219   1HB   ARG  31          1HB       ARG  31  -0.043  11.363  -0.246
  220   2HB   ARG  31          2HB       ARG  31  -1.377  11.086  -1.341
  221   1HG   ARG  31          1HG       ARG  31  -1.553  12.663   1.278
  222   2HG   ARG  31          2HG       ARG  31  -1.467  13.325  -0.338
  223   1HD   ARG  31          1HD       ARG  31  -3.804  11.695   0.828
  224   2HD   ARG  31          2HD       ARG  31  -3.785  13.422   0.581
  225    HE   ARG  31           HE       ARG  31  -4.209  11.302  -1.518
  226   1HH1  ARG  31          2HH2      ARG  31  -3.532  14.757  -1.016
  227   2HH1  ARG  31          1HH2      ARG  31  -4.152  15.132  -2.703
  228   1HH2  ARG  31          1HH1      ARG  31  -4.888  11.843  -3.408
  229   2HH2  ARG  31          2HH1      ARG  31  -4.866  13.591  -3.964
  230    H    LYS  32           H        LYS  32  -0.340   7.558   1.242
  231    HA   LYS  32           HA       LYS  32  -0.187   6.416  -1.607
  232   1HB   LYS  32          1HB       LYS  32   2.260   6.777   0.253
  233   2HB   LYS  32          2HB       LYS  32   2.235   5.756  -1.185
  234   1HG   LYS  32          1HG       LYS  32   1.698   7.753  -2.628
  235   2HG   LYS  32          2HG       LYS  32   1.773   8.795  -1.207
  236   1HD   LYS  32          1HD       LYS  32   4.197   8.089  -0.830
  237   2HD   LYS  32          2HD       LYS  32   4.099   7.072  -2.260
  238   1HE   LYS  32          1HE       LYS  32   5.209   9.084  -2.951
  239   2HE   LYS  32          2HE       LYS  32   3.610   9.136  -3.689
  240   1HZ   LYS  32          3HZ       LYS  32   4.423  10.599  -1.215
  241   2HZ   LYS  32          1HZ       LYS  32   4.218  11.264  -2.713
  242   3HZ   LYS  32          2HZ       LYS  32   2.918  10.661  -1.892
  243    H    CYS  33           H        CYS  33  -0.905   4.457  -1.588
  244    HA   CYS  33           HA       CYS  33  -1.528   2.827   0.717
  245   1HB   CYS  33          1HB       CYS  33  -1.248   2.122  -2.271
  246   2HB   CYS  33          2HB       CYS  33  -1.806   0.945  -1.074
  247    H    HIS  34           H        HIS  34  -0.619   1.118   1.708
  248    HA   HIS  34           HA       HIS  34   1.979  -0.122   0.647
  249   1HB   HIS  34          1HB       HIS  34   1.400   0.593   3.591
  250   2HB   HIS  34          2HB       HIS  34   2.520  -0.659   3.128
  251    HD1  HIS  34           HD1      HIS  34   5.003   0.093   2.824
  252    HD2  HIS  34           HD2      HIS  34   2.074   3.210   2.447
  253    HE1  HIS  34           HE1      HIS  34   6.153   2.389   2.643
  254    HE2  HIS  34           HE2      HIS  34   4.479   4.334   2.412
  255    H    CYS  35           H        CYS  35   1.309  -1.956  -0.108
  256    HA   CYS  35           HA       CYS  35  -0.971  -3.523   1.120
  257   1HB   CYS  35          1HB       CYS  35   0.606  -3.933  -1.496
  258   2HB   CYS  35          2HB       CYS  35  -0.687  -5.004  -0.908
  259    H    THR  36           H        THR  36  -0.650  -5.282   2.358
  260    HA   THR  36           HA       THR  36   2.138  -6.046   3.193
  261    HB   THR  36           HB       THR  36  -0.570  -7.014   4.255
  262    HG1  THR  36           HG1      THR  36   1.265  -5.073   5.198
  263   1HG2  THR  36          3HG2      THR  36   2.246  -7.255   5.513
  264   2HG2  THR  36          1HG2      THR  36   0.709  -7.677   6.308
  265   3HG2  THR  36          2HG2      THR  36   1.263  -8.611   4.904
  266    HA   PRO  37           HA       PRO  37   1.827  -9.205  -0.159
  267   1HB   PRO  37          1HB       PRO  37   4.366 -10.349   1.133
  268   2HB   PRO  37          2HB       PRO  37   4.035 -10.018  -0.581
  269   1HG   PRO  37          1HG       PRO  37   5.543  -8.287   0.849
  270   2HG   PRO  37          2HG       PRO  37   4.319  -7.642  -0.275
  271   1HD   PRO  37          1HD       PRO  37   4.111  -7.922   2.774
  272   2HD   PRO  37          2HD       PRO  37   3.641  -6.562   1.719
  273    H    LYS  38           H        LYS  38   1.175 -11.266  -0.531
  274    HA   LYS  38           HA       LYS  38   0.210 -12.894   1.812
  275   1HB   LYS  38          1HB       LYS  38  -1.112 -14.173   0.283
  276   2HB   LYS  38          2HB       LYS  38  -1.352 -12.467  -0.015
  277   1HG   LYS  38          1HG       LYS  38   0.194 -12.642  -2.058
  278   2HG   LYS  38          2HG       LYS  38   0.302 -14.381  -1.774
  279   1HD   LYS  38          1HD       LYS  38  -2.254 -14.540  -1.987
  280   2HD   LYS  38          2HD       LYS  38  -2.298 -12.813  -2.307
  281   1HE   LYS  38          1HE       LYS  38  -2.453 -13.872  -4.448
  282   2HE   LYS  38          2HE       LYS  38  -0.837 -13.176  -4.386
  283   1HZ   LYS  38          1HZ       LYS  38  -1.501 -16.044  -3.892
  284   2HZ   LYS  38          2HZ       LYS  38  -0.805 -15.429  -5.258
  285   3HZ   LYS  38          3HZ       LYS  38   0.022 -15.407  -3.828
   
  No H/Q in entry =         285
  Start of MODEL          17
 Raw file had  289 H/Q atoms
  Start of MODEL   17
    1   1H    GLY   1          1H        GLY   1   4.242  -3.831   3.906
    2   2H    GLY   1          2H        GLY   1   5.621  -4.606   3.433
    3   3H    GLY   1          3H        GLY   1   5.602  -3.737   4.837
    4   1HA   GLY   1          1HA       GLY   1   5.306  -1.647   3.652
    5   2HA   GLY   1          2HA       GLY   1   6.791  -2.464   3.160
    6    H    VAL   2           H        VAL   2   6.966  -3.092   1.064
    7    HA   VAL   2           HA       VAL   2   6.660  -2.790  -1.258
    8    HB   VAL   2           HB       VAL   2   5.056  -4.440  -2.238
    9   1HG1  VAL   2          3HG2      VAL   2   7.427  -5.005  -1.737
   10   2HG1  VAL   2          1HG2      VAL   2   6.980  -5.534  -0.097
   11   3HG1  VAL   2          2HG2      VAL   2   6.370  -6.411  -1.521
   12   1HG2  VAL   2          2HG1      VAL   2   3.284  -4.555  -0.409
   13   2HG2  VAL   2          3HG1      VAL   2   3.943  -6.135  -0.849
   14   3HG2  VAL   2          1HG1      VAL   2   4.465  -5.345   0.655
   15    HA   PRO   3           HA       PRO   3   3.347   0.452  -1.295
   16   1HB   PRO   3          1HB       PRO   3   4.737   2.517  -2.566
   17   2HB   PRO   3          2HB       PRO   3   4.821   2.130  -0.849
   18   1HG   PRO   3          2HG       PRO   3   6.765   1.286  -3.047
   19   2HG   PRO   3          1HG       PRO   3   7.150   1.957  -1.444
   20   1HD   PRO   3          2HD       PRO   3   7.253  -0.752  -1.957
   21   2HD   PRO   3          1HD       PRO   3   6.736  -0.146  -0.355
   22    H    ILE   4           H        ILE   4   1.765   0.413  -2.689
   23    HA   ILE   4           HA       ILE   4   2.228   0.118  -5.701
   24    HB   ILE   4           HB       ILE   4  -0.139  -0.400  -5.969
   25   1HG1  ILE   4          2HG1      ILE   4  -0.452  -0.584  -2.911
   26   2HG1  ILE   4          1HG1      ILE   4  -1.050   0.740  -3.898
   27   1HG2  ILE   4          2HG2      ILE   4   1.560  -2.230  -5.760
   28   2HG2  ILE   4          3HG2      ILE   4   1.207  -2.372  -4.021
   29   3HG2  ILE   4          1HG2      ILE   4  -0.046  -2.753  -5.228
   30   1HD1  ILE   4          2HD1      ILE   4  -2.568  -0.798  -5.172
   31   2HD1  ILE   4          3HD1      ILE   4  -2.038  -2.161  -4.148
   32   3HD1  ILE   4          1HD1      ILE   4  -2.894  -0.785  -3.422
   33    H    ASN   5           H        ASN   5   1.296   1.582  -7.083
   34    HA   ASN   5           HA       ASN   5   1.212   4.399  -6.046
   35   1HB   ASN   5          1HB       ASN   5   1.270   5.155  -8.337
   36   2HB   ASN   5          2HB       ASN   5   2.560   4.040  -7.959
   37   1HD2  ASN   5          1HD2      ASN   5   1.592   1.725 -10.555
   38   2HD2  ASN   5          2HD2      ASN   5   2.617   1.971  -9.048
   39    H    VAL   6           H        VAL   6  -0.625   4.353  -4.817
   40    HA   VAL   6           HA       VAL   6  -3.236   4.916  -6.269
   41    HB   VAL   6           HB       VAL   6  -2.984   2.818  -4.018
   42   1HG1  VAL   6          3HG2      VAL   6  -5.029   4.217  -3.577
   43   2HG1  VAL   6          1HG2      VAL   6  -5.596   3.944  -5.242
   44   3HG1  VAL   6          2HG2      VAL   6  -5.478   2.588  -4.089
   45   1HG2  VAL   6          1HG1      VAL   6  -4.054   2.525  -6.902
   46   2HG2  VAL   6          2HG1      VAL   6  -2.560   1.807  -6.246
   47   3HG2  VAL   6          3HG1      VAL   6  -4.127   1.268  -5.638
   48    H    SER   7           H        SER   7  -3.659   6.883  -5.613
   49    HA   SER   7           HA       SER   7  -2.400   8.087  -3.198
   50   1HB   SER   7          1HB       SER   7  -3.336  10.239  -3.946
   51   2HB   SER   7          2HB       SER   7  -2.461   9.409  -5.230
   52    HG   SER   7           HG       SER   7  -5.278   9.426  -4.866
   53    H    CYS   8           H        CYS   8  -3.241   8.101  -1.265
   54    HA   CYS   8           HA       CYS   8  -6.108   7.251  -0.805
   55   1HB   CYS   8          1HB       CYS   8  -3.801   7.576   1.236
   56   2HB   CYS   8          2HB       CYS   8  -5.362   6.821   1.544
   57    H    THR   9           H        THR   9  -7.418   8.030   0.684
   58    HA   THR   9           HA       THR   9  -7.067  10.845   1.831
   59    HB   THR   9           HB       THR   9  -9.024  10.760   0.367
   60    HG1  THR   9           HG1      THR   9  -9.612  10.947   3.123
   61   1HG2  THR   9          2HG2      THR   9  -9.899   8.425   0.617
   62   2HG2  THR   9          3HG2      THR   9 -10.334   8.751   2.315
   63   3HG2  THR   9          1HG2      THR   9 -11.142   9.632   0.998
   64    H    GLY  10           H        GLY  10  -7.934   7.457   2.546
   65   1HA   GLY  10          2HA       GLY  10  -6.663   7.684   5.246
   66   2HA   GLY  10          1HA       GLY  10  -8.371   7.219   5.314
   67    H    SER  11           H        SER  11  -7.443   5.269   6.262
   68    HA   SER  11           HA       SER  11  -5.820   3.327   4.747
   69   1HB   SER  11          1HB       SER  11  -7.558   2.877   7.242
   70   2HB   SER  11          2HB       SER  11  -6.495   1.668   6.521
   71    HG   SER  11           HG       SER  11  -5.712   4.241   7.412
   72    HA   PRO  12           HA       PRO  12 -10.045   0.903   3.701
   73   1HB   PRO  12          1HB       PRO  12 -11.731   3.398   3.115
   74   2HB   PRO  12          2HB       PRO  12 -12.269   1.775   3.601
   75   1HG   PRO  12          2HG       PRO  12 -12.120   3.721   5.477
   76   2HG   PRO  12          1HG       PRO  12 -11.491   2.103   5.878
   77   1HD   PRO  12          2HD       PRO  12  -9.902   4.585   5.034
   78   2HD   PRO  12          1HD       PRO  12  -9.551   3.411   6.335
   79    H    GLN  13           H        GLN  13  -8.910   3.782   1.985
   80    HA   GLN  13           HA       GLN  13  -9.828   3.167  -0.705
   81   1HB   GLN  13          1HB       GLN  13  -7.262   4.653   0.176
   82   2HB   GLN  13          2HB       GLN  13  -7.865   4.614  -1.472
   83   1HG   GLN  13          1HG       GLN  13  -9.367   5.854   0.907
   84   2HG   GLN  13          2HG       GLN  13  -8.395   6.722  -0.255
   85   1HE2  GLN  13          1HE2      GLN  13 -11.010   6.715  -2.752
   86   2HE2  GLN  13          2HE2      GLN  13  -9.221   7.002  -2.430
   87    H    CYS  14           H        CYS  14  -6.780   2.121   0.868
   88    HA   CYS  14           HA       CYS  14  -5.724   0.766  -1.549
   89   1HB   CYS  14          1HB       CYS  14  -4.864   0.475   1.398
   90   2HB   CYS  14          2HB       CYS  14  -3.897   0.052  -0.032
   91    H    ILE  15           H        ILE  15  -8.007  -0.427   0.833
   92    HA   ILE  15           HA       ILE  15  -7.200  -3.129   1.173
   93    HB   ILE  15           HB       ILE  15 -10.053  -2.000   1.103
   94   1HG1  ILE  15          2HG1      ILE  15  -8.631  -0.803   2.755
   95   2HG1  ILE  15          1HG1      ILE  15  -9.989  -1.627   3.452
   96   1HG2  ILE  15          3HG2      ILE  15  -9.168  -4.664   2.363
   97   2HG2  ILE  15          1HG2      ILE  15 -10.753  -3.887   2.610
   98   3HG2  ILE  15          2HG2      ILE  15 -10.284  -4.441   0.998
   99   1HD1  ILE  15          3HD1      ILE  15  -7.090  -2.698   3.553
  100   2HD1  ILE  15          1HD1      ILE  15  -7.907  -1.809   4.858
  101   3HD1  ILE  15          2HD1      ILE  15  -8.488  -3.422   4.382
  102    H    LYS  16           H        LYS  16  -9.653  -2.147  -1.328
  103    HA   LYS  16           HA       LYS  16  -9.571  -4.802  -2.598
  104   1HB   LYS  16          1HB       LYS  16 -11.588  -3.453  -2.702
  105   2HB   LYS  16          2HB       LYS  16 -10.807  -2.188  -3.607
  106   1HG   LYS  16          1HG       LYS  16 -12.234  -3.552  -5.060
  107   2HG   LYS  16          2HG       LYS  16 -10.567  -3.622  -5.586
  108   1HD   LYS  16          1HD       LYS  16 -11.557  -5.812  -5.839
  109   2HD   LYS  16          2HD       LYS  16 -10.292  -5.912  -4.627
  110   1HE   LYS  16          1HE       LYS  16 -12.068  -5.848  -2.785
  111   2HE   LYS  16          2HE       LYS  16 -13.331  -5.747  -4.020
  112   1HZ   LYS  16          1HZ       LYS  16 -11.397  -7.997  -3.721
  113   2HZ   LYS  16          2HZ       LYS  16 -12.988  -8.022  -3.277
  114   3HZ   LYS  16          3HZ       LYS  16 -12.577  -7.909  -4.873
  115    HA   PRO  17           HA       PRO  17  -6.539  -2.810  -6.055
  116   1HB   PRO  17          1HB       PRO  17  -5.191  -0.851  -4.114
  117   2HB   PRO  17          2HB       PRO  17  -5.276  -0.785  -5.890
  118   1HG   PRO  17          2HG       PRO  17  -6.987   0.721  -4.417
  119   2HG   PRO  17          1HG       PRO  17  -7.616  -0.153  -5.834
  120   1HD   PRO  17          1HD       PRO  17  -7.876  -0.911  -2.885
  121   2HD   PRO  17          2HD       PRO  17  -9.081  -1.024  -4.199
  122    H    CYS  18           H        CYS  18  -5.364  -2.949  -2.657
  123    HA   CYS  18           HA       CYS  18  -2.928  -4.517  -3.148
  124   1HB   CYS  18          1HB       CYS  18  -4.701  -4.193  -0.639
  125   2HB   CYS  18          2HB       CYS  18  -3.209  -5.130  -0.649
  126    H    LYS  19           H        LYS  19  -6.244  -5.612  -2.217
  127    HA   LYS  19           HA       LYS  19  -5.618  -8.441  -2.139
  128   1HB   LYS  19          2HB       LYS  19  -7.683  -7.174  -1.142
  129   2HB   LYS  19          1HB       LYS  19  -8.386  -7.234  -2.739
  130   1HG   LYS  19          1HG       LYS  19  -9.344  -9.040  -1.539
  131   2HG   LYS  19          2HG       LYS  19  -8.202  -9.819  -2.625
  132   1HD   LYS  19          1HD       LYS  19  -6.520  -9.953  -0.702
  133   2HD   LYS  19          2HD       LYS  19  -7.690  -9.166   0.359
  134   1HE   LYS  19          1HE       LYS  19  -9.292 -11.109   0.029
  135   2HE   LYS  19          2HE       LYS  19  -8.123 -11.889  -1.050
  136   1HZ   LYS  19          2HZ       LYS  19  -6.540 -11.956   0.811
  137   2HZ   LYS  19          3HZ       LYS  19  -7.631 -11.230   1.817
  138   3HZ   LYS  19          1HZ       LYS  19  -7.943 -12.733   1.208
  139    H    ASP  20           H        ASP  20  -7.110  -6.592  -4.855
  140    HA   ASP  20           HA       ASP  20  -7.068  -8.891  -6.707
  141   1HB   ASP  20          1HB       ASP  20  -7.700  -7.342  -8.486
  142   2HB   ASP  20          2HB       ASP  20  -8.706  -7.178  -7.076
  143    H    ALA  21           H        ALA  21  -4.557  -6.447  -6.060
  144    HA   ALA  21           HA       ALA  21  -2.872  -7.133  -8.390
  145   1HB   ALA  21          2HB       ALA  21  -2.559  -4.996  -7.165
  146   2HB   ALA  21          3HB       ALA  21  -2.077  -5.864  -5.686
  147   3HB   ALA  21          1HB       ALA  21  -1.055  -5.936  -7.142
  148    H    GLY  22           H        GLY  22  -2.631  -8.181  -4.961
  149   1HA   GLY  22          1HA       GLY  22  -2.306 -10.889  -5.153
  150   2HA   GLY  22          2HA       GLY  22  -0.691 -10.422  -5.681
  151    H    MET  23           H        MET  23  -2.752  -9.063  -3.092
  152    HA   MET  23           HA       MET  23  -0.849 -10.061  -0.924
  153   1HB   MET  23          1HB       MET  23  -1.656  -7.088  -1.344
  154   2HB   MET  23          2HB       MET  23  -0.875  -7.716   0.090
  155   1HG   MET  23          1HG       MET  23   0.972  -6.885  -0.979
  156   2HG   MET  23          2HG       MET  23   1.061  -8.561  -1.520
  157   1HE   MET  23          3HE       MET  23   2.645  -7.786  -3.482
  158   2HE   MET  23          2HE       MET  23   2.234  -6.519  -4.678
  159   3HE   MET  23          1HE       MET  23   2.524  -6.074  -2.968
  160    H    ARG  24           H        ARG  24  -1.791  -9.153   1.267
  161    HA   ARG  24           HA       ARG  24  -4.593 -10.319   1.486
  162   1HB   ARG  24          1HB       ARG  24  -2.733 -11.394   2.690
  163   2HB   ARG  24          2HB       ARG  24  -2.344  -9.913   3.548
  164   1HG   ARG  24          2HG       ARG  24  -4.512  -9.997   4.766
  165   2HG   ARG  24          1HG       ARG  24  -5.051 -11.333   3.761
  166   1HD   ARG  24          1HD       ARG  24  -4.329 -12.166   5.981
  167   2HD   ARG  24          2HD       ARG  24  -3.351 -12.854   4.690
  168    HE   ARG  24           HE       ARG  24  -2.234 -10.390   6.097
  169   1HH1  ARG  24          2HH2      ARG  24  -2.059 -13.926   5.759
  170   2HH1  ARG  24          1HH2      ARG  24  -0.388 -13.923   6.518
  171   1HH2  ARG  24          1HH1      ARG  24  -0.346 -10.506   6.948
  172   2HH2  ARG  24          2HH1      ARG  24   0.514 -12.115   7.146
  173    H    PHE  25           H        PHE  25  -2.915  -7.766   3.424
  174    HA   PHE  25           HA       PHE  25  -5.535  -6.209   3.479
  175   1HB   PHE  25          1HB       PHE  25  -3.059  -5.687   5.232
  176   2HB   PHE  25          2HB       PHE  25  -4.646  -5.011   5.415
  177    HD1  PHE  25           HD2      PHE  25  -6.666  -6.784   5.779
  178    HD2  PHE  25           HD1      PHE  25  -2.517  -7.566   6.627
  179    HE1  PHE  25           HE2      PHE  25  -7.309  -8.566   7.349
  180    HE2  PHE  25           HE1      PHE  25  -3.182  -9.329   8.201
  181    HZ   PHE  25           HZ       PHE  25  -5.572  -9.841   8.562
  182    H    GLY  26           H        GLY  26  -5.422  -3.930   3.459
  183   1HA   GLY  26          2HA       GLY  26  -3.227  -2.631   1.708
  184   2HA   GLY  26          1HA       GLY  26  -4.925  -2.265   1.474
  185    H    LYS  27           H        LYS  27  -2.155  -1.734   3.439
  186    HA   LYS  27           HA       LYS  27  -3.708  -0.079   5.516
  187   1HB   LYS  27          1HB       LYS  27  -0.867  -1.274   5.683
  188   2HB   LYS  27          2HB       LYS  27  -1.635  -0.281   6.914
  189   1HG   LYS  27          1HG       LYS  27  -3.432  -2.023   7.247
  190   2HG   LYS  27          2HG       LYS  27  -2.708  -3.018   5.982
  191   1HD   LYS  27          1HD       LYS  27  -0.541  -3.116   7.347
  192   2HD   LYS  27          2HD       LYS  27  -1.365  -2.246   8.648
  193   1HE   LYS  27          1HE       LYS  27  -3.083  -4.123   8.806
  194   2HE   LYS  27          2HE       LYS  27  -2.270  -4.978   7.487
  195   1HZ   LYS  27          2HZ       LYS  27  -0.269  -5.108   8.874
  196   2HZ   LYS  27          3HZ       LYS  27  -1.023  -4.311  10.109
  197   3HZ   LYS  27          1HZ       LYS  27  -1.560  -5.801   9.639
  198    H    CYS  28           H        CYS  28  -3.769   1.976   4.870
  199    HA   CYS  28           HA       CYS  28  -1.658   3.002   2.986
  200   1HB   CYS  28          1HB       CYS  28  -4.233   3.259   2.585
  201   2HB   CYS  28          2HB       CYS  28  -4.119   4.661   3.653
  202    H    MET  29           H        MET  29  -0.138   4.302   3.498
  203    HA   MET  29           HA       MET  29   0.007   5.893   6.085
  204   1HB   MET  29          1HB       MET  29   1.988   5.639   3.716
  205   2HB   MET  29          2HB       MET  29   2.273   6.613   5.150
  206   1HG   MET  29          1HG       MET  29   1.941   3.556   5.206
  207   2HG   MET  29          2HG       MET  29   3.464   4.454   5.310
  208   1HE   MET  29          2HE       MET  29   3.959   3.083   7.600
  209   2HE   MET  29          1HE       MET  29   2.856   3.100   9.007
  210   3HE   MET  29          3HE       MET  29   2.359   2.284   7.495
  211    H    ASN  30           H        ASN  30   1.040   8.286   5.393
  212    HA   ASN  30           HA       ASN  30  -1.393   9.771   4.717
  213   1HB   ASN  30          1HB       ASN  30   1.501  10.798   5.026
  214   2HB   ASN  30          2HB       ASN  30   0.109  11.835   4.795
  215   1HD2  ASN  30          1HD2      ASN  30   0.759  10.571   8.559
  216   2HD2  ASN  30          2HD2      ASN  30   1.916  10.187   7.180
  217    H    ARG  31           H        ARG  31  -2.159   9.546   2.806
  218    HA   ARG  31           HA       ARG  31  -2.596   9.741   0.534
  219   1HB   ARG  31          1HB       ARG  31  -0.050  11.451   0.282
  220   2HB   ARG  31          2HB       ARG  31  -1.240  11.214  -0.984
  221   1HG   ARG  31          1HG       ARG  31  -3.036  12.237   0.405
  222   2HG   ARG  31          2HG       ARG  31  -1.910  12.524   1.720
  223   1HD   ARG  31          1HD       ARG  31  -1.637  13.723  -1.119
  224   2HD   ARG  31          2HD       ARG  31  -2.387  14.542   0.255
  225    HE   ARG  31           HE       ARG  31   0.274  13.787   1.122
  226   1HH1  ARG  31          2HH2      ARG  31  -1.189  15.990  -1.256
  227   2HH1  ARG  31          1HH2      ARG  31   0.271  17.098  -1.146
  228   1HH2  ARG  31          1HH1      ARG  31   1.880  15.118   1.167
  229   2HH2  ARG  31          2HH1      ARG  31   1.890  16.636   0.135
  230    H    LYS  32           H        LYS  32  -0.286   7.628   1.511
  231    HA   LYS  32           HA       LYS  32   0.134   6.602  -1.361
  232   1HB   LYS  32          1HB       LYS  32   2.385   6.763   0.764
  233   2HB   LYS  32          2HB       LYS  32   2.444   5.801  -0.691
  234   1HG   LYS  32          2HG       LYS  32   3.632   7.576  -1.428
  235   2HG   LYS  32          1HG       LYS  32   2.056   7.973  -2.065
  236   1HD   LYS  32          1HD       LYS  32   3.081   9.995  -1.212
  237   2HD   LYS  32          2HD       LYS  32   1.711   9.637  -0.201
  238   1HE   LYS  32          1HE       LYS  32   3.500  10.408   1.227
  239   2HE   LYS  32          2HE       LYS  32   3.259   8.708   1.597
  240   1HZ   LYS  32          1HZ       LYS  32   5.414   9.809  -0.152
  241   2HZ   LYS  32          2HZ       LYS  32   5.604   9.254   1.392
  242   3HZ   LYS  32          3HZ       LYS  32   5.204   8.204   0.181
  243    H    CYS  33           H        CYS  33  -0.620   4.645  -1.517
  244    HA   CYS  33           HA       CYS  33  -1.413   2.878   0.662
  245   1HB   CYS  33          1HB       CYS  33  -0.996   2.387  -2.354
  246   2HB   CYS  33          2HB       CYS  33  -1.560   1.111  -1.264
  247    H    HIS  34           H        HIS  34  -0.448   1.241   1.748
  248    HA   HIS  34           HA       HIS  34   2.108  -0.045   0.632
  249   1HB   HIS  34          1HB       HIS  34   1.626   0.842   3.548
  250   2HB   HIS  34          2HB       HIS  34   2.786  -0.394   3.114
  251    HD1  HIS  34           HD1      HIS  34   5.117   0.331   1.960
  252    HD2  HIS  34           HD2      HIS  34   2.227   3.443   2.590
  253    HE1  HIS  34           HE1      HIS  34   6.167   2.634   1.515
  254    HE2  HIS  34           HE2      HIS  34   4.521   4.584   1.888
  255    H    CYS  35           H        CYS  35   1.310  -1.898  -0.041
  256    HA   CYS  35           HA       CYS  35  -0.923  -3.362   1.252
  257   1HB   CYS  35          1HB       CYS  35   1.045  -4.326  -0.925
  258   2HB   CYS  35          2HB       CYS  35  -0.460  -5.124  -0.428
  259    H    THR  36           H        THR  36  -0.860  -5.346   2.295
  260    HA   THR  36           HA       THR  36   1.762  -6.111   3.719
  261    HB   THR  36           HB       THR  36  -1.112  -6.560   4.689
  262    HG1  THR  36           HG1      THR  36  -0.422  -4.399   4.717
  263   1HG2  THR  36          3HG2      THR  36   1.577  -7.002   6.147
  264   2HG2  THR  36          1HG2      THR  36  -0.041  -7.127   6.880
  265   3HG2  THR  36          2HG2      THR  36   0.450  -8.285   5.626
  266    HA   PRO  37           HA       PRO  37   1.014  -9.529   0.619
  267   1HB   PRO  37          1HB       PRO  37   3.580 -10.527   1.989
  268   2HB   PRO  37          2HB       PRO  37   3.145 -10.589   0.266
  269   1HG   PRO  37          2HG       PRO  37   4.788  -8.627   1.131
  270   2HG   PRO  37          1HG       PRO  37   3.453  -8.191   0.036
  271   1HD   PRO  37          1HD       PRO  37   3.564  -7.861   3.089
  272   2HD   PRO  37          2HD       PRO  37   2.982  -6.719   1.846
  273    H    LYS  38           H        LYS  38   0.416 -11.686   0.578
  274    HA   LYS  38           HA       LYS  38  -0.847 -12.705   3.098
  275   1HB   LYS  38          1HB       LYS  38  -1.881 -12.637   0.680
  276   2HB   LYS  38          2HB       LYS  38  -0.945 -14.066   0.326
  277   1HG   LYS  38          1HG       LYS  38  -3.068 -13.752   2.554
  278   2HG   LYS  38          2HG       LYS  38  -3.355 -14.427   0.963
  279   1HD   LYS  38          1HD       LYS  38  -1.748 -16.313   1.452
  280   2HD   LYS  38          2HD       LYS  38  -1.492 -15.696   3.077
  281   1HE   LYS  38          1HE       LYS  38  -4.243 -16.592   1.976
  282   2HE   LYS  38          2HE       LYS  38  -3.151 -17.615   2.907
  283   1HZ   LYS  38          3HZ       LYS  38  -3.340 -16.064   4.775
  284   2HZ   LYS  38          1HZ       LYS  38  -4.364 -15.091   3.918
  285   3HZ   LYS  38          2HZ       LYS  38  -4.827 -16.624   4.324
   
  No H/Q in entry =         285
   
  No H/Q in entry =         285