*HEADER   BLOOD COAGULATION                       17-MAY-94   1DEC    
*COMPND   DECORSIN (NMR, 25 STRUCTURES)                               
*SOURCE   NORTH AMERICAN LEECH (MACROBDELLA DECORA) RECOMBINANT FORM  
*SOURCE  2 EXPRESSED IN (ESCHERICHIA COLI)                            
*AUTHOR   A.M.KREZEL,G.WAGNER,J.SEYMOUR-ULMER,R.A.LAZARUS             
*REVDAT  1   31-AUG-94 1DEC    0                                      


!BIOSYM restraint 1
!
#remote_prochiral_center
1:LEU_4:HD1*    1:LEU_4:HD2*    1:LEU_4:CD1     1:LEU_4:CD2     1:LEU_4:CG     
!
#chiral
! this should be automatic but I fix it anyway
1:CYS_7:CB         R
1:CYS_15:CB        R
1:CYS_17:CB        R
1:CYS_22:CB        R
1:CYS_27:CB        R
1:CYS_38:CB        R
1:ALAN_1:CA        S
1:PRO_2:CA         S
1:ARG+_3:CA        S
1:LEU_4:CA         S
1:PRO_5:CA         S
1:GLN_6:CA         S
1:CYS_7:CA         R
1:GLN_8:CA         S
1:ASP-_10:CA       S
1:ASP-_11:CA       S
1:GLN_12:CA        S
1:GLU-_13:CA       S
1:LYS+_14:CA       S
1:CYS_15:CA        R
1:LEU_16:CA        S
1:CYS_17:CA        R
1:ASN_18:CA        S
1:LYS+_19:CA       S
1:ASP-_20:CA       S
1:GLU-_21:CA       S
1:CYS_22:CA        R
1:PRO_23:CA        S
1:PRO_24:CA        S
1:GLN_26:CA        S
1:CYS_27:CA        R
1:ARG+_28:CA       S
1:PHE_29:CA        S
1:PRO_30:CA        S
1:ARG+_31:CA       S
1:ASP-_33:CA       S
1:ALA_34:CA        S
1:ASP-_35:CA       S
1:PRO_36:CA        S
1:TYR_37:CA        S
1:CYS_38:CA        R
1:GL-C_39:CA       S
#distance
!generic distances, hbonds, and some fixed distances
1:GLN_8:HN      1:ASP-_11:OD*    1.800    3.400 10.00 10.00 1000.000
1:GLY_9:HN      1:ASP-_11:OD*    1.800    3.400 10.00 10.00 1000.000
1:CYS_15:O      1:CYS_22:HN      1.800    2.400 10.00 10.00 1000.000
1:CYS_22:O      1:CYS_15:HN      1.800    2.400 10.00 10.00 1000.000
1:ASP-_20:O     1:CYS_17:HN      1.800    2.400 10.00 10.00 1000.000
!:ASP-_35:HN    1:PRO_30:O       1.800    2.800 10.00 10.00 1000.000
1:ALA_34:HN     1:ARG+_31:O      1.800    2.800 10.00 10.00 1000.000
1:CYS_17:O      1:ASP-_20:HN     1.800    2.400 10.00 10.00 1000.000
1:GLN_26:O      1:GL-C_39:HN     1.800    2.400 10.00 10.00 1000.000
1:ARG+_28:O     1:TYR_37:HN      1.800    2.400 10.00 10.00 1000.000
1:TYR_37:O      1:ARG+_28:HN     1.800    2.400 10.00 10.00 1000.000
1:ARG+_28:HE    1:GL-C_39:OE2    1.800    2.400 10.00 10.00 1000.000
1:ASN_18:HD21   1:ASN_18:OD1     2.290    2.350 10.00 10.00 1000.000
1:ASN_18:HD22   1:ASN_18:OD1     3.070    3.130 10.00 10.00 1000.000
1:GLN_6:HE22   1:GLN_6:OE1     2.290    2.350 10.00 10.00 1000.000
1:GLN_6:HE21   1:GLN_6:OE1     3.070    3.130 10.00 10.00 1000.000
1:GLN_8:HE22   1:GLN_8:OE1     2.290    2.350 10.00 10.00 1000.000
1:GLN_8:HE21   1:GLN_8:OE1     3.070    3.130 10.00 10.00 1000.000
1:GLN_12:HE22   1:GLN_12:OE1     2.290    2.350 10.00 10.00 1000.000
1:GLN_12:HE21   1:GLN_12:OE1     3.070    3.130 10.00 10.00 1000.000
1:GLN_26:HE22   1:GLN_26:OE1     2.290    2.350 10.00 10.00 1000.000
1:GLN_26:HE21   1:GLN_26:OE1     3.070    3.130 10.00 10.00 1000.000
!
#NOE_distance
!distances derived from NOE cross peaks,
!atom 1          atom 2          lower    upper  upper k low k upp max force
!                                         actual origi
!lower limits were Van der Waals radii, which are automatically calculated
1:ALAN_1:HB*	1:PRO_2:HD1	-1.000    4.400  3.400 10.00 10.00 1000.000 0.00
1:ALAN_1:HB*	1:PRO_2:HD2	-1.000    5.023  4.023 10.00 10.00 1000.000 0.00
1:ALAN_1:HA	1:PRO_2:HD1	-1.000    3.214  3.214 10.00 10.00 1000.000 0.00
1:ALAN_1:HA	1:PRO_2:HD2	-1.000    2.873  2.873 10.00 10.00 1000.000 0.00
1:LEU_4:HDR*	1:LEU_4:HA	-1.000    5.255  4.255 10.00 10.00 1000.000 0.00
!this probably has a lot of s d thru 4hbs increase to 4.255 from 4.023
1:LEU_4:HDR*	1:PRO_5:HD*	-1.000    6.255  4.255 10.00 10.00 1000.000 0.00
1:LEU_4:HDR*	1:LYS+_14:HE*	-1.000    6.023  4.023 10.00 10.00 1000.000 0.00
1:LEU_4:HDR*	1:CYS_15:HA	-1.000    4.400  3.400 10.00 10.00 1000.000 0.00
1:LEU_4:HDR*	1:GLU-_21:HA	-1.000    5.023  4.023 10.00 10.00 1000.000 0.00
1:LEU_4:HDR*	1:GLU-_21:HBR	-1.000    5.255  4.255 10.00 10.00 1000.000 0.00
1:LEU_4:HDR*	1:GLU-_21:HBS	-1.000    5.500  4.500 10.00 10.00 1000.000 0.00
1:LEU_4:HDR*	1:GLU-_21:HG1	-1.000    5.023  4.023 10.00 10.00 1000.000 0.00
1:LEU_4:HDR*	1:GLU-_21:HG2	-1.000    5.500  4.500 10.00 10.00 1000.000 0.00
1:LEU_4:HDS*	1:LEU_4:HA	-1.000    4.039  3.039 10.00 10.00 1000.000 0.00
1:LEU_4:HDS*	1:PRO_5:HD*	-1.000    5.214  3.214 10.00 10.00 1000.000 0.00
1:LEU_4:HDS*	1:LYS+_14:HE*	-1.000    6.255  4.255 10.00 10.00 1000.000 0.00
1:LEU_4:HDS*	1:CYS_15:HA	-1.000    4.596  3.596 10.00 10.00 1000.000 0.00
!most probably s d
!:LEU_4:HDS*	1:GLU-_21:HA	-1.000    5.500  4.500 10.00 10.00 1000.000 0.00
1:LEU_4:HA	1:LEU_4:HBR	-1.000    3.214  3.214 10.00 10.00 1000.000 0.00
1:LEU_4:HA	1:LEU_4:HBS	-1.000    2.873  2.873 10.00 10.00 1000.000 0.00
1:LEU_4:HA	1:LEU_4:HG	-1.000    3.596  3.596 10.00 10.00 1000.000 0.00
1:LEU_4:HA	1:PRO_5:HD*	-1.000    3.428  2.428 10.00 10.00 1000.000 0.00
1:LEU_4:HA	1:CYS_15:HA	-1.000    3.803  3.803 10.00 10.00 1000.000 0.00
1:LEU_4:HBR	1:PRO_5:HD*	-1.000    5.023  4.023 10.00 10.00 1000.000 0.00
1:LEU_4:HBR	1:CYS_15:HA	-1.000    4.255  4.255 10.00 10.00 1000.000 0.00
1:LEU_4:HBS	1:PRO_5:HD*	-1.000    4.214  3.214 10.00 10.00 1000.000 0.00
1:LEU_4:HBS	1:CYS_15:HA	-1.000    3.039  3.039 10.00 10.00 1000.000 0.00
1:PRO_5:HD*	1:CYS_15:HA	-1.000    4.214  3.214 10.00 10.00 1000.000 0.00
1:PRO_5:HD*	1:CYS_15:HBR	-1.000    5.255  4.255 10.00 10.00 1000.000 0.00
1:PRO_5:HBR	1:CYS_15:HA	-1.000    3.803  3.803 10.00 10.00 1000.000 0.00
1:PRO_5:HBR	1:CYS_15:HBR	-1.000    4.023  4.023 10.00 10.00 1000.000 0.00
1:PRO_5:HBR	1:CYS_15:HBS	-1.000    4.023  4.023 10.00 10.00 1000.000 0.00
!lots of sd from huge 6hb's simply removed
!:GLN_6:HG*	1:GLN_6:HA	-1.000    4.214  3.214 10.00 10.00 1000.000 0.00
1:GLN_6:HG*	1:LEU_16:HB*	-1.000    6.000  4.000 10.00 10.00 1000.000 0.00
1:GLN_6:HG*	1:LEU_16:HD*	-1.000    7.000  4.000 10.00 10.00 1000.000 0.00
1:GLN_6:HA	1:LEU_16:HB*	-1.000    3.873  2.873 10.00 10.00 1000.000 0.00
1:GLN_6:HA	1:LEU_16:HD*	-1.000    6.423  4.023 10.00 10.00 1000.000 0.00
1:GLN_6:HA	1:LEU_16:HG	-1.000    4.023  4.023 10.00 10.00 1000.000 0.00
1:CYS_7:HA	1:CYS_7:HBR	-1.000    2.600  2.600 10.00 10.00 1000.000 0.00
1:CYS_7:HA	1:CYS_7:HBS	-1.000    3.200  3.200 10.00 10.00 1000.000 0.00
1:CYS_7:HA	1:CYS_15:HBR	-1.000    3.873  3.873 10.00 10.00 1000.000 0.00
1:CYS_7:HA	1:CYS_15:HBS	-1.000    3.214  3.214 10.00 10.00 1000.000 0.00
1:CYS_7:HBR	1:CYS_17:HA	-1.000    4.255  4.255 10.00 10.00 1000.000 0.00
1:CYS_7:HBR	1:CYS_27:HBR	-1.000    4.023  4.023 10.00 10.00 1000.000 0.00
1:CYS_7:HBR	1:CYS_27:HBS	-1.000    4.023  4.023 10.00 10.00 1000.000 0.00
1:CYS_7:HBR	1:PHE_29:HZ	-1.000    3.803  3.803 10.00 10.00 1000.000 0.00
1:CYS_7:HBS	1:CYS_15:HBS	-1.000    4.255  4.255 10.00 10.00 1000.000 0.00
1:CYS_7:HBS	1:CYS_17:HA	-1.000    3.596  3.596 10.00 10.00 1000.000 0.00
1:CYS_7:HBS	1:PHE_29:HZ	-1.000    3.596  3.596 10.00 10.00 1000.000 0.00
1:GLN_8:HA	1:PHE_29:HZ	-1.000    3.596  3.596 10.00 10.00 1000.000 0.00
1:GLY_9:HA1	1:PHE_29:HE1	-1.000    4.203  3.803 10.00 10.00 1000.000 0.00
1:ASP-_10:HA	1:GLY_25:HA1	-1.000    3.803  3.803 10.00 10.00 1000.000 0.00
1:GLU-_13:HG*	1:GLU-_13:HA	-1.000    4.039  3.039 10.00 10.00 1000.000 0.00
1:GLU-_13:HA	1:GLU-_13:HBS	-1.000    2.568  2.568 10.00 10.00 1000.000 0.00
1:GLU-_13:HA	1:GLU-_13:HBR	-1.000    3.400  3.400 10.00 10.00 1000.000 0.00
1:GLU-_13:HA	1:PRO_24:HB*	-1.000    5.023  4.023 10.00 10.00 1000.000 0.00
1:GLU-_13:HA	1:PRO_24:HG1	-1.000    3.400  3.400 10.00 10.00 1000.000 0.00
1:LYS+_14:HG*	1:LYS+_14:HA	-1.000    4.400  3.400 10.00 10.00 1000.000 0.00
1:LYS+_14:HG*	1:PRO_24:HD1	-1.000    5.500  4.500 10.00 10.00 1000.000 0.00
1:LYS+_14:HA	1:PRO_23:HA	-1.000    3.214  3.214 10.00 10.00 1000.000 0.00
1:LYS+_14:HA	1:PRO_24:HA	-1.000    4.500  4.500 10.00 10.00 1000.000 0.00
1:LYS+_14:HA	1:PRO_24:HD1	-1.000    3.214  3.214 10.00 10.00 1000.000 0.00
1:LYS+_14:HA	1:PRO_24:HD2	-1.000    4.023  4.023 10.00 10.00 1000.000 0.00
1:LYS+_14:HBR	1:PRO_23:HA	-1.000    3.803  3.803 10.00 10.00 1000.000 0.00
1:CYS_15:HBS	1:LEU_16:HD*	-1.000    6.655  4.255 10.00 10.00 1000.000 0.00
1:LEU_16:HA	1:LEU_16:HD*	-1.000    5.117  2.717 10.00 10.00 1000.000 0.00
1:LEU_16:HA	1:GLU-_21:HA	-1.000    2.873  2.873 10.00 10.00 1000.000 0.00
1:LEU_16:HD*	1:LYS+_19:HA	-1.000    5.996  3.596 10.00 10.00 1000.000 0.00
1:LEU_16:HD*	1:GLU-_21:HA	-1.000    5.614  3.214 10.00 10.00 1000.000 0.00
1:LEU_16:HD*	1:ASP-_20:HA	-1.000    6.655  4.255 10.00 10.00 1000.000 0.00
1:CYS_17:HA	1:CYS_17:HBS	-1.000    3.039  3.039 10.00 10.00 1000.000 0.00
1:CYS_17:HA	1:CYS_17:HBR	-1.000    3.400  3.400 10.00 10.00 1000.000 0.00
1:CYS_17:HBS	1:CYS_38:HBS	-1.000    3.400  3.400 10.00 10.00 1000.000 0.00
1:ASN_18:HA	1:PRO_36:HD1	-1.000    4.023  4.023 10.00 10.00 1000.000 0.00
1:ASN_18:HBS	1:PRO_36:HB*	-1.000    5.255  4.255 10.00 10.00 1000.000 0.00
1:ASN_18:HBS	1:PRO_36:HG*	-1.000    5.023  4.023 10.00 10.00 1000.000 0.00
1:ASP-_20:HA	1:ASP-_20:HBR	-1.000    2.600  2.600 10.00 10.00 1000.000 0.00
1:ASP-_20:HA	1:ASP-_20:HBS	-1.000    3.200  3.200 10.00 10.00 1000.000 0.00
1:CYS_22:HA	1:CYS_22:HBR	-1.000    3.039  3.039 10.00 10.00 1000.000 0.00
1:CYS_22:HA	1:CYS_22:HBS	-1.000    3.214  3.214 10.00 10.00 1000.000 0.00
1:CYS_22:HA	1:PRO_23:HD1	-1.000    3.214  3.214 10.00 10.00 1000.000 0.00
1:CYS_22:HA	1:PRO_23:HD2	-1.000    2.717  2.717 10.00 10.00 1000.000 0.00
!very close to diagonal but visible 
!:CYS_22:HBR	1:CYS_38:HBR	-1.000    4.023  4.023 10.00 10.00 1000.000 0.00
1:CYS_22:HBR	1:CYS_38:HBS	-1.000    3.803  3.803 10.00 10.00 1000.000 0.00
1:CYS_22:HBS	1:CYS_38:HBR	-1.000    3.803  3.803 10.00 10.00 1000.000 0.00
1:PRO_23:HA	1:PRO_23:HBR	-1.000    3.400  3.400 10.00 10.00 1000.000 0.00
1:PRO_23:HA	1:PRO_23:HBS	-1.000    2.873  2.873 10.00 10.00 1000.000 0.00
1:PRO_23:HA	1:PRO_24:HD1	-1.000    2.717  2.717 10.00 10.00 1000.000 0.00
1:PRO_23:HA	1:PRO_24:HD2	-1.000    2.873  2.873 10.00 10.00 1000.000 0.00
1:PRO_23:HBS	1:PRO_24:HD1	-1.000    4.023  4.023 10.00 10.00 1000.000 0.00
1:PRO_23:HBS	1:PRO_24:HD2	-1.000    3.400  3.400 10.00 10.00 1000.000 0.00
1:PRO_23:HD1	1:GLN_26:HB1	-1.000    4.400  3.400 10.00 10.00 1000.000 0.00
1:PRO_23:HD1	1:GLN_26:HB2	-1.000    4.023  4.023 10.00 10.00 1000.000 0.00
!this is overlapped and very uncertain
!:PRO_24:HG1	1:GLN_26:HG2	-1.000    4.255  4.255 10.00 10.00 1000.000 0.00
1:GLN_26:HA	1:GL-C_39:HG*	-1.000    5.500  4.500 10.00 10.00 1000.000 0.00
1:GLN_26:HB2	1:GL-C_39:HB*	-1.000    4.803  3.803 10.00 10.00 1000.000 0.00
1:CYS_27:HA	1:CYS_38:HA	-1.000    3.214  3.214 10.00 10.00 1000.000 0.00
1:CYS_27:HBR	1:PHE_29:HE1	-1.000    4.423  4.023 10.00 10.00 1000.000 0.00
1:CYS_27:HBS	1:CYS_38:HA	-1.000    4.255  4.255 10.00 10.00 1000.000 0.00
1:ARG+_28:HG*	1:TYR_37:HE1	-1.000    4.996  3.596 10.00 10.00 1000.000 0.00
1:ARG+_28:HG*	1:GL-C_39:HB*	-1.000    5.596  3.596 10.00 10.00 1000.000 0.00
1:ARG+_28:HG*	1:GL-C_39:HG*	-1.000    6.500  4.500 10.00 10.00 1000.000 0.00
1:ARG+_28:HD*	1:ARG+_28:HA	-1.000    4.214  3.214 10.00 10.00 1000.000 0.00
1:ARG+_28:HA	1:PHE_29:HD1	-1.000    4.203  3.803 10.00 10.00 1000.000 0.00
1:ARG+_28:HBS	1:TYR_37:HE1	-1.000    4.655  4.255 10.00 10.00 1000.000 0.00
1:ARG+_28:HBR	1:TYR_37:HE1	-1.000    4.423  4.023 10.00 10.00 1000.000 0.00
1:PHE_29:HD1	1:PHE_29:HB*	-1.000    4.273  2.873 10.00 10.00 1000.000 0.00
1:PHE_29:HD2	1:PHE_29:HA	-1.000    3.996  3.596 10.00 10.00 1000.000 0.00
1:PHE_29:HD2	1:PRO_36:HB*	-1.000    5.423  4.023 10.00 10.00 1000.000 0.00
1:PHE_29:HD2	1:PRO_36:HG*	-1.000    5.423  4.023 10.00 10.00 1000.000 0.00
1:PHE_29:HE2	1:PRO_36:HG*	-1.000    5.655  4.255 10.00 10.00 1000.000 0.00
1:PHE_29:HA	1:PRO_30:HD1	-1.000    3.214  3.214 10.00 10.00 1000.000 0.00
1:PHE_29:HA	1:PRO_30:HD2	-1.000    2.873  2.873 10.00 10.00 1000.000 0.00
!this 29ha 36ha seen well in subtracted D2O NOESY
1:PHE_29:HA	1:PRO_36:HA 	-1.000    3.500  3.500 10.00 10.00 1000.000 0.00
1:PHE_29:HA	1:PRO_36:HB*	-1.000    4.596  3.596 10.00 10.00 1000.000 0.00
1:PRO_30:HBS	1:ALA_34:HB*	-1.000    5.500  4.500 10.00 10.00 1000.000 0.00
1:PRO_30:HBS	1:TYR_37:HE2	-1.000    4.203  3.803 10.00 10.00 1000.000 0.00
1:PRO_30:HG1	1:ALA_34:HB*	-1.000    5.023  4.023 10.00 10.00 1000.000 0.00
1:PRO_30:HG1	1:TYR_37:HE2	-1.000    4.655  4.255 10.00 10.00 1000.000 0.00
1:PRO_30:HG2	1:ALA_34:HB*	-1.000    4.596  3.596 10.00 10.00 1000.000 0.00
1:PRO_30:HG2	1:TYR_37:HD2	-1.000    4.203  3.803 10.00 10.00 1000.000 0.00
1:PRO_30:HG2	1:TYR_37:HE2	-1.000    3.614  3.214 10.00 10.00 1000.000 0.00
!very weak in 50ms maybe s d from 30hg increase to 5.00 from 4.255
1:PRO_30:HD1	1:ALA_34:HB*	-1.000    6.000  5.000 10.00 10.00 1000.000 0.00
1:PRO_30:HD1	1:PRO_36:HB*	-1.000    5.500  4.500 10.00 10.00 1000.000 0.00
1:PRO_30:HD1	1:TYR_37:HD2	-1.000    4.423  4.023 10.00 10.00 1000.000 0.00
1:PRO_30:HD1	1:TYR_37:HE2	-1.000    4.203  3.803 10.00 10.00 1000.000 0.00
!very weak in 50ms maybe s d from 30hg increase to 5.00 from 4.255
1:PRO_30:HD2	1:ALA_34:HB*	-1.000    6.000  5.000 10.00 10.00 1000.000 0.00
1:PRO_30:HD2	1:PRO_36:HB*	-1.000    5.500  4.500 10.00 10.00 1000.000 0.00
1:PRO_30:HD2	1:PRO_36:HA	-1.000    3.039  3.039 10.00 10.00 1000.000 0.00
1:PRO_30:HD2	1:TYR_37:HD2	-1.000    4.423  4.023 10.00 10.00 1000.000 0.00
1:PRO_30:HD2	1:TYR_37:HE2	-1.000    4.203  3.803 10.00 10.00 1000.000 0.00
1:ASP-_35:HA	1:ASP-_35:HBR	-1.000    2.717  2.717 10.00 10.00 1000.000 0.00
1:ASP-_35:HA	1:ASP-_35:HBS	-1.000    3.039  3.039 10.00 10.00 1000.000 0.00
1:ASP-_35:HA	1:PRO_36:HD1	-1.000    3.039  3.039 10.00 10.00 1000.000 0.00
1:ASP-_35:HA	1:PRO_36:HD2	-1.000    2.717  2.717 10.00 10.00 1000.000 0.00
1:ASP-_35:HBR	1:PRO_36:HD1	-1.000    3.214  3.214 10.00 10.00 1000.000 0.00
1:ASP-_35:HBR	1:PRO_36:HD2	-1.000    3.596  3.596 10.00 10.00 1000.000 0.00
1:ASP-_35:HBS	1:PRO_36:HD1	-1.000    4.255  4.255 10.00 10.00 1000.000 0.00
1:PRO_36:HA	1:TYR_37:HD2	-1.000    4.203  3.803 10.00 10.00 1000.000 0.00
1:TYR_37:HD1	1:TYR_37:HB*	-1.000    3.968  2.568 10.00 10.00 1000.000 0.00
1:TYR_37:HD1	1:TYR_37:HA	-1.000    4.203  3.803 10.00 10.00 1000.000 0.00
1:TYR_37:HD1	1:GL-C_39:HB*	-1.000    5.423  4.023 10.00 10.00 1000.000 0.00
1:TYR_37:HD1	1:GL-C_39:HA	-1.000    4.203  3.803 10.00 10.00 1000.000 0.00
1:TYR_37:HE1	1:GL-C_39:HB*	-1.000    4.996  3.596 10.00 10.00 1000.000 0.00
1:TYR_37:HE1	1:GL-C_39:HG*	-1.000    5.203  3.803 10.00 10.00 1000.000 0.00
1:TYR_37:HE1	1:GL-C_39:HA	-1.000    3.996  3.596 10.00 10.00 1000.000 0.00
1:CYS_38:HA	1:CYS_38:HBR	-1.000    3.214  3.214 10.00 10.00 1000.000 0.00
1:CYS_38:HA	1:CYS_38:HBS	-1.000    3.039  3.039 10.00 10.00 1000.000 0.00
1:PRO_2:HA	1:ARG+_3:HN	-1.000    2.500  2.500 10.00 10.00 1000.000 0.00
1:PRO_2:HBR	1:ARG+_3:HN	-1.000    4.141  4.141 10.00 10.00 1000.000 0.00
1:PRO_2:HBS	1:ARG+_3:HN	-1.000    4.141  4.141 10.00 10.00 1000.000 0.00
1:ARG+_3:HG*	1:ARG+_3:HN	-1.000    4.500  3.500 10.00 10.00 1000.000 0.00
1:ARG+_3:HG*	1:ARG+_3:HE	-1.000    6.500  5.500 10.00 10.00 1000.000 0.00
1:ARG+_3:HD*	1:ARG+_3:HN	-1.000    6.500  5.500 10.00 10.00 1000.000 0.00
1:ARG+_3:HD*	1:ARG+_3:HE	-1.000    4.500  3.500 10.00 10.00 1000.000 0.00
1:ARG+_3:HN	1:ARG+_3:HA	-1.000    2.958  2.958 10.00 10.00 1000.000 0.00
1:ARG+_3:HN	1:ARG+_3:HB2	-1.000    3.500  3.500 10.00 10.00 1000.000 0.00
1:ARG+_3:HN	1:ARG+_3:HB1	-1.000    3.500  3.500 10.00 10.00 1000.000 0.00
1:ARG+_3:HN	1:LEU_4:HN	-1.000    4.141  4.141 10.00 10.00 1000.000 0.00
1:ARG+_3:HA	1:LEU_4:HN	-1.000    2.500  2.500 10.00 10.00 1000.000 0.00
1:ARG+_3:HB2	1:LEU_4:HN	-1.000    4.633  4.633 10.00 10.00 1000.000 0.00
1:ARG+_3:HB1	1:LEU_4:HN	-1.000    4.633  4.633 10.00 10.00 1000.000 0.00
1:LEU_4:HDS*	1:LYS+_14:HN	-1.000    5.633  4.633 10.00 10.00 1000.000 0.00
1:LEU_4:HDR*	1:CYS_22:HN	-1.000    5.141  4.141 10.00 10.00 1000.000 0.00
1:LEU_4:HN	1:LEU_4:HA	-1.000    3.702  3.702 10.00 10.00 1000.000 0.00
1:LEU_4:HN	1:LEU_4:HBR	-1.000    2.958  2.958 10.00 10.00 1000.000 0.00
1:LEU_4:HN	1:LEU_4:HBS	-1.000    3.500  3.500 10.00 10.00 1000.000 0.00
1:LEU_4:HN	1:LEU_4:HDS*	-1.000    4.915  3.915 10.00 10.00 1000.000 0.00
1:LEU_4:HN	1:LEU_4:HDR*	-1.000    4.500  3.500 10.00 10.00 1000.000 0.00
1:LEU_4:HN	1:LEU_4:HG	-1.000    3.309  3.309 10.00 10.00 1000.000 0.00
1:LEU_4:HN	1:PRO_5:HD*	-1.000    5.380  4.380 10.00 10.00 1000.000 0.00
1:LEU_4:HBR	1:LEU_16:HN	-1.000    4.633  4.633 10.00 10.00 1000.000 0.00
1:LEU_4:HDS*	1:LEU_16:HN	-1.000    6.500  5.500 10.00 10.00 1000.000 0.00
!prob sd
!:PRO_5:HD*	1:GLN_6:HN	-1.000    6.500  5.500 10.00 10.00 1000.000 0.00
1:PRO_5:HA	1:GLN_6:HN	-1.000    3.129  3.129 10.00 10.00 1000.000 0.00
1:PRO_5:HBR	1:GLN_6:HN	-1.000    3.309  3.309 10.00 10.00 1000.000 0.00
1:PRO_5:HBS	1:GLN_6:HN	-1.000    3.702  3.702 10.00 10.00 1000.000 0.00
!this most likely gets a lot of sd from huge 6hb's increase to 4.00 from 3.309
1:GLN_6:HG*	1:GLN_6:HN	-1.000    5.000  4.000 10.00 10.00 1000.000 0.00
1:GLN_6:HG*	1:GLN_6:HE21	-1.000    4.500  3.500 10.00 10.00 1000.000 0.00
1:GLN_6:HG*	1:GLN_6:HE22	-1.000    5.141  4.141 10.00 10.00 1000.000 0.00
1:GLN_6:HG*	1:CYS_7:HN	-1.000    4.702  3.702 10.00 10.00 1000.000 0.00
1:GLN_6:HN	1:GLN_6:HA	-1.000    3.702  3.702 10.00 10.00 1000.000 0.00
1:GLN_6:HN	1:GLN_6:HB2	-1.000    3.129  3.129 10.00 10.00 1000.000 0.00
1:GLN_6:HN	1:GLN_6:HB1	-1.000    2.958  2.958 10.00 10.00 1000.000 0.00
1:GLN_6:HN	1:CYS_7:HN	-1.000    4.380  4.380 10.00 10.00 1000.000 0.00
!this is very weak but visible
1:GLN_6:HN	1:CYS_15:HBS	-1.000    5.500  5.500 10.00 10.00 1000.000 0.00
!visible in many spectra confirms positive phi
1:GLN_6:HN	1:LEU_16:HN 	-1.000    4.500  4.500 10.00 10.00 1000.000 0.00
1:GLN_6:HN	1:LEU_16:HB*	-1.000    5.633  4.633 10.00 10.00 1000.000 0.00
1:GLN_6:HN	1:LEU_16:HD*	-1.000    6.780  4.380 10.00 10.00 1000.000 0.00
1:GLN_6:HE21	1:GLN_6:HA	-1.000    5.500  5.500 10.00 10.00 1000.000 0.00
1:GLN_6:HE21	1:CYS_7:HN	-1.000    4.380  4.380 10.00 10.00 1000.000 0.00
1:GLN_6:HE22	1:CYS_7:HN	-1.000    4.633  4.633 10.00 10.00 1000.000 0.00
!these prob. thru 6hg
!:GLN_6:HE21	1:GLN_6:HB2	-1.000    4.380  4.380 10.00 10.00 1000.000 0.00
!:GLN_6:HE21	1:GLN_6:HB1	-1.000    4.380  4.380 10.00 10.00 1000.000 0.00
1:GLN_6:HE21	1:LEU_16:HB*	-1.000    5.633  4.633 10.00 10.00 1000.000 0.00
1:GLN_6:HE21	1:LEU_16:HD*	-1.000    6.541  4.141 10.00 10.00 1000.000 0.00
1:GLN_6:HB2	1:CYS_7:HN	-1.000    3.915  3.915 10.00 10.00 1000.000 0.00
1:GLN_6:HE22	1:LEU_16:HB*	-1.000    5.141  4.141 10.00 10.00 1000.000 0.00
1:GLN_6:HE22	1:LEU_16:HD*	-1.000    6.315  3.915 10.00 10.00 1000.000 0.00
1:GLN_6:HE22	1:ASN_18:HN 	-1.000    4.380  4.380 10.00 10.00 1000.000 0.00
1:CYS_7:HN	1:CYS_7:HBR	-1.000    3.915  3.915 10.00 10.00 1000.000 0.00
1:CYS_7:HN	1:CYS_7:HBS	-1.000    3.500  3.500 10.00 10.00 1000.000 0.00
1:CYS_7:HN	1:PHE_29:HZ	-1.000    5.500  5.500 10.00 10.00 1000.000 0.00
1:CYS_7:HBR	1:GLN_8:HN	-1.000    4.380  4.380 10.00 10.00 1000.000 0.00
1:CYS_7:HBR	1:GLY_9:HN	-1.000    4.141  4.141 10.00 10.00 1000.000 0.00
1:GLN_8:HBR	1:GLN_8:HN	-1.000    4.915  3.915 10.00 10.00 1000.000 0.00
1:GLN_8:HBR	1:GLY_9:HN	-1.000    5.380  4.380 10.00 10.00 1000.000 0.00
1:GLN_8:HN	1:GLN_8:HA	-1.000    4.141  4.141 10.00 10.00 1000.000 0.00
1:GLN_8:HN	1:GLN_8:HBS	-1.000    4.633  4.633 10.00 10.00 1000.000 0.00
1:GLN_8:HN	1:GLN_8:HG*	-1.000    3.915  3.915 10.00 10.00 1000.000 0.00
1:GLN_8:HN	1:GLY_9:HN	-1.000    3.309  3.309 10.00 10.00 1000.000 0.00
1:GLN_8:HE21	1:GLN_8:HG*	-1.000    3.702  3.702 10.00 10.00 1000.000 0.00
1:GLN_8:HA	1:GLY_9:HN	-1.000    3.915  3.915 10.00 10.00 1000.000 0.00
1:GLN_8:HG*	1:GLN_8:HE22	-1.000    4.141  4.141 10.00 10.00 1000.000 0.00
1:GLY_9:HN	1:GLY_9:HA1	-1.000    3.309  3.309 10.00 10.00 1000.000 0.00
1:GLY_9:HN	1:GLY_9:HA2	-1.000    3.702  3.702 10.00 10.00 1000.000 0.00
1:GLY_9:HN	1:ASP-_10:HN	-1.000    4.141  4.141 10.00 10.00 1000.000 0.00
1:GLY_9:HN	1:ASP-_11:HN	-1.000    4.380  4.380 10.00 10.00 1000.000 0.00
1:GLY_9:HN	1:PHE_29:HE1	-1.000    4.780  4.380 10.00 10.00 1000.000 0.00
1:GLY_9:HN	1:PHE_29:HZ	-1.000    4.633  4.633 10.00 10.00 1000.000 0.00
1:GLY_9:HA1	1:ASP-_10:HN	-1.000    3.129  3.129 10.00 10.00 1000.000 0.00
!none in 60ms
!:GLY_9:HA1	1:ASP-_11:HN	-1.000    4.380  4.380 10.00 10.00 1000.000 0.00
!very very weak in 60ms increase to 4.38 from 3.702
1:GLY_9:HA2	1:ASP-_10:HN	-1.000    4.380  4.380 10.00 10.00 1000.000 0.00
1:ASP-_10:HN	1:ASP-_10:HA	-1.000    2.958  2.958 10.00 10.00 1000.000 0.00
1:ASP-_10:HN	1:ASP-_10:HBR	-1.000    3.915  3.915 10.00 10.00 1000.000 0.00
1:ASP-_10:HN	1:ASP-_10:HBS	-1.000    3.915  3.915 10.00 10.00 1000.000 0.00
1:ASP-_10:HN	1:ASP-_11:HN	-1.000    3.309  3.309 10.00 10.00 1000.000 0.00
1:ASP-_10:HBR	1:ASP-_11:HN	-1.000    4.633  4.633 10.00 10.00 1000.000 0.00
1:ASP-_10:HBS	1:ASP-_11:HN	-1.000    4.633  4.633 10.00 10.00 1000.000 0.00
1:ASP-_11:HN	1:ASP-_11:HBR	-1.000    3.500  3.500 10.00 10.00 1000.000 0.00
1:ASP-_11:HN	1:ASP-_11:HBS	-1.000    3.129  3.129 10.00 10.00 1000.000 0.00
1:ASP-_11:HN	1:GLN_12:HN	-1.000    4.633  4.633 10.00 10.00 1000.000 0.00
1:ASP-_11:HN	1:GLY_25:HN	-1.000    4.633  4.633 10.00 10.00 1000.000 0.00
1:ASP-_11:HN	1:GLY_25:HA1	-1.000    4.380  4.380 10.00 10.00 1000.000 0.00
1:ASP-_11:HA	1:GLN_12:HN	-1.000    2.958  2.958 10.00 10.00 1000.000 0.00
1:ASP-_11:HA	1:GLU-_13:HN	-1.000    4.633  4.633 10.00 10.00 1000.000 0.00
1:ASP-_11:HBR	1:GLN_12:HN	-1.000    3.702  3.702 10.00 10.00 1000.000 0.00
1:ASP-_11:HBR	1:GLU-_13:HN	-1.000    3.500  3.500 10.00 10.00 1000.000 0.00
1:ASP-_11:HBR	1:GLY_25:HN	-1.000    4.633  4.633 10.00 10.00 1000.000 0.00
1:ASP-_11:HBS	1:GLN_12:HN	-1.000    5.500  5.500 10.00 10.00 1000.000 0.00
1:ASP-_11:HBS	1:GLU-_13:HN	-1.000    4.141  4.141 10.00 10.00 1000.000 0.00
1:ASP-_11:HBS	1:GLY_25:HN	-1.000    3.915  3.915 10.00 10.00 1000.000 0.00
1:GLN_12:HN	1:GLN_12:HA	-1.000    3.500  3.500 10.00 10.00 1000.000 0.00
1:GLN_12:HN	1:GLN_12:HBR	-1.000    3.129  3.129 10.00 10.00 1000.000 0.00
1:GLN_12:HN	1:GLN_12:HBS	-1.000    3.915  3.915 10.00 10.00 1000.000 0.00
1:GLN_12:HN	1:GLN_12:HG1	-1.000    3.915  3.915 10.00 10.00 1000.000 0.00
1:GLN_12:HN	1:GLN_12:HG2	-1.000    3.915  3.915 10.00 10.00 1000.000 0.00
1:GLN_12:HN	1:GLU-_13:HN	-1.000    3.309  3.309 10.00 10.00 1000.000 0.00
1:GLN_12:HE21	1:GLN_12:HG2	-1.000    4.633  4.633 10.00 10.00 1000.000 0.00
1:GLN_12:HA	1:GLU-_13:HN	-1.000    3.915  3.915 10.00 10.00 1000.000 0.00
1:GLN_12:HE21	1:GLN_12:HG1	-1.000    3.915  3.915 10.00 10.00 1000.000 0.00
1:GLN_12:HBR	1:GLU-_13:HN	-1.000    4.380  4.380 10.00 10.00 1000.000 0.00
1:GLN_12:HBS	1:GLU-_13:HN	-1.000    5.500  5.500 10.00 10.00 1000.000 0.00
1:GLN_12:HG1	1:GLN_12:HE22	-1.000    4.633  4.633 10.00 10.00 1000.000 0.00
1:GLN_12:HG2	1:GLN_12:HE22	-1.000    5.500  5.500 10.00 10.00 1000.000 0.00
1:GLU-_13:HG*	1:GLU-_13:HN	-1.000    4.500  3.500 10.00 10.00 1000.000 0.00
1:GLU-_13:HG*	1:LYS+_14:HN	-1.000    4.702  3.702 10.00 10.00 1000.000 0.00
1:GLU-_13:HN	1:GLU-_13:HA	-1.000    4.633  4.633 10.00 10.00 1000.000 0.00
1:GLU-_13:HN	1:GLU-_13:HBR	-1.000    3.702  3.702 10.00 10.00 1000.000 0.00
1:GLU-_13:HN	1:GLU-_13:HBS	-1.000    3.915  3.915 10.00 10.00 1000.000 0.00
1:GLU-_13:HN	1:LYS+_14:HN	-1.000    4.633  4.633 10.00 10.00 1000.000 0.00
1:GLU-_13:HN	1:PRO_24:HA	-1.000    5.500  5.500 10.00 10.00 1000.000 0.00
1:GLU-_13:HA	1:LYS+_14:HN	-1.000    3.702  3.702 10.00 10.00 1000.000 0.00
1:GLU-_13:HBR	1:LYS+_14:HN	-1.000    3.309  3.309 10.00 10.00 1000.000 0.00
1:GLU-_13:HBS	1:LYS+_14:HN	-1.000    3.309  3.309 10.00 10.00 1000.000 0.00
1:LYS+_14:HG*	1:LYS+_14:HN	-1.000    4.702  3.702 10.00 10.00 1000.000 0.00
1:LYS+_14:HG*	1:CYS_15:HN	-1.000    5.141  4.141 10.00 10.00 1000.000 0.00
1:LYS+_14:HG*	1:CYS_22:HN	-1.000    6.500  5.500 10.00 10.00 1000.000 0.00
1:LYS+_14:HN	1:LYS+_14:HA	-1.000    2.958  2.958 10.00 10.00 1000.000 0.00
1:LYS+_14:HN	1:LYS+_14:HBR	-1.000    2.958  2.958 10.00 10.00 1000.000 0.00
1:LYS+_14:HN	1:LYS+_14:HBS	-1.000    2.958  2.958 10.00 10.00 1000.000 0.00
1:LYS+_14:HN	1:CYS_15:HN	-1.000    4.633  4.633 10.00 10.00 1000.000 0.00
1:LYS+_14:HN	1:PRO_24:HB*	-1.000    6.500  5.500 10.00 10.00 1000.000 0.00
1:LYS+_14:HN	1:PRO_24:HA	-1.000    5.500  5.500 10.00 10.00 1000.000 0.00
1:LYS+_14:HN	1:PRO_24:HD1	-1.000    3.702  3.702 10.00 10.00 1000.000 0.00
1:LYS+_14:HN	1:PRO_24:HD2	-1.000    5.500  5.500 10.00 10.00 1000.000 0.00
1:CYS_15:HN	1:CYS_15:HA	-1.000    3.702  3.702 10.00 10.00 1000.000 0.00
1:CYS_15:HN	1:CYS_15:HBR	-1.000    4.380  4.380 10.00 10.00 1000.000 0.00
1:CYS_15:HN	1:CYS_15:HBS	-1.000    4.141  4.141 10.00 10.00 1000.000 0.00
1:CYS_15:HN	1:LEU_16:HN	-1.000    4.380  4.380 10.00 10.00 1000.000 0.00
1:CYS_15:HN	1:GLU-_21:HA	-1.000    4.633  4.633 10.00 10.00 1000.000 0.00
1:CYS_15:HN	1:CYS_22:HN	-1.000    3.915  3.915 10.00 10.00 1000.000 0.00
1:CYS_15:HA	1:LEU_16:HN	-1.000    3.309  3.309 10.00 10.00 1000.000 0.00
1:CYS_15:HBR	1:LEU_16:HN	-1.000    3.915  3.915 10.00 10.00 1000.000 0.00
1:CYS_15:HBS	1:LEU_16:HN	-1.000    3.309  3.309 10.00 10.00 1000.000 0.00
1:LEU_16:HB*	1:LEU_16:HN	-1.000    3.958  2.958 10.00 10.00 1000.000 0.00
1:LEU_16:HB*	1:CYS_17:HN	-1.000    4.915  3.915 10.00 10.00 1000.000 0.00
1:LEU_16:HN	1:LEU_16:HA	-1.000    3.500  3.500 10.00 10.00 1000.000 0.00
1:LEU_16:HN	1:LEU_16:HG	-1.000    3.702  3.702 10.00 10.00 1000.000 0.00
1:LEU_16:HN	1:LEU_16:HD*	-1.000    6.102  3.702 10.00 10.00 1000.000 0.00
1:LEU_16:HA	1:CYS_17:HN	-1.000    2.644  2.644 10.00 10.00 1000.000 0.00
1:LEU_16:HA	1:GLU-_21:HN	-1.000    4.633  4.633 10.00 10.00 1000.000 0.00
1:LEU_16:HA	1:CYS_22:HN	-1.000    3.915  3.915 10.00 10.00 1000.000 0.00
1:LEU_16:HD*	1:GLU-_21:HN	-1.000    6.102  3.702 10.00 10.00 1000.000 0.00
!prob s d from 16hb*
!:LEU_16:HG	1:CYS_17:HN	-1.000    4.633  4.633 10.00 10.00 1000.000 0.00
1:LEU_16:HD*	1:CYS_17:HN	-1.000    5.900  3.500 10.00 10.00 1000.000 0.00
1:LEU_16:HD*	1:LYS+_19:HN	-1.000    6.541  4.141 10.00 10.00 1000.000 0.00
1:LEU_16:HD*	1:ASP-_20:HN	-1.000    6.541  4.141 10.00 10.00 1000.000 0.00
1:CYS_17:HN	1:CYS_17:HA	-1.000    3.915  3.915 10.00 10.00 1000.000 0.00
1:CYS_17:HN	1:CYS_17:HBR	-1.000    3.309  3.309 10.00 10.00 1000.000 0.00
1:CYS_17:HN	1:CYS_17:HBS	-1.000    3.702  3.702 10.00 10.00 1000.000 0.00
1:CYS_17:HN	1:LYS+_19:HN	-1.000    4.633  4.633 10.00 10.00 1000.000 0.00
1:CYS_17:HN	1:ASP-_20:HN	-1.000    4.141  4.141 10.00 10.00 1000.000 0.00
1:CYS_17:HN	1:GLU-_21:HA	-1.000    3.915  3.915 10.00 10.00 1000.000 0.00
1:CYS_17:HN	1:CYS_22:HBR	-1.000    4.380  4.380 10.00 10.00 1000.000 0.00
1:CYS_17:HN	1:CYS_22:HBS	-1.000    4.141  4.141 10.00 10.00 1000.000 0.00
!most likely s d through 17ha
!:CYS_17:HBR	1:ASN_18:HN	-1.000    4.141  4.141 10.00 10.00 1000.000 0.00
!:CYS_17:HBS	1:ASN_18:HN	-1.000    4.380  4.380 10.00 10.00 1000.000 0.00
1:CYS_17:HBR	1:ASP-_20:HN	-1.000    5.500  5.500 10.00 10.00 1000.000 0.00
1:CYS_17:HBR	1:CYS_22:HN	-1.000    5.500  5.500 10.00 10.00 1000.000 0.00
1:CYS_17:HBR	1:CYS_38:HN	-1.000    4.633  4.633 10.00 10.00 1000.000 0.00
1:CYS_17:HBS	1:CYS_22:HN	-1.000    4.633  4.633 10.00 10.00 1000.000 0.00
1:ASN_18:HN	1:ASN_18:HA	-1.000    2.958  2.958 10.00 10.00 1000.000 0.00
1:ASN_18:HN	1:ASN_18:HBR	-1.000    4.380  4.380 10.00 10.00 1000.000 0.00
1:ASN_18:HN	1:ASN_18:HBS	-1.000    3.915  3.915 10.00 10.00 1000.000 0.00
1:ASN_18:HN	1:LYS+_19:HN	-1.000    3.915  3.915 10.00 10.00 1000.000 0.00
1:ASN_18:HN	1:ASP-_20:HN	-1.000    4.633  4.633 10.00 10.00 1000.000 0.00
1:ASN_18:HN	1:PRO_36:HB*	-1.000    5.380  4.380 10.00 10.00 1000.000 0.00
1:ASN_18:HN	1:PRO_36:HG*	-1.000    5.141  4.141 10.00 10.00 1000.000 0.00
1:ASN_18:HD22	1:ASN_18:HBR	-1.000    3.129  3.129 10.00 10.00 1000.000 0.00
1:ASN_18:HD21	1:LYS+_19:HN	-1.000    4.380  4.380 10.00 10.00 1000.000 0.00
1:ASN_18:HA	1:LYS+_19:HN	-1.000    3.500  3.500 10.00 10.00 1000.000 0.00
1:ASN_18:HD22	1:PRO_36:HD1	-1.000    4.633  4.633 10.00 10.00 1000.000 0.00
1:ASN_18:HD22	1:ASN_18:HBS	-1.000    4.141  4.141 10.00 10.00 1000.000 0.00
1:ASN_18:HD22	1:ASP-_35:HBR	-1.000    3.915  3.915 10.00 10.00 1000.000 0.00
1:ASN_18:HD22	1:ASP-_35:HBS	-1.000    4.141  4.141 10.00 10.00 1000.000 0.00
1:ASN_18:HD22	1:LYS+_19:HG1	-1.000    4.380  4.380 10.00 10.00 1000.000 0.00
!almost none in 60ms
!:ASN_18:HBR	1:ASN_18:HD21	-1.000    3.702  3.702 10.00 10.00 1000.000 0.00
1:ASN_18:HBR	1:LYS+_19:HN	-1.000    2.958  2.958 10.00 10.00 1000.000 0.00
1:ASN_18:HBR	1:ASP-_20:HN	-1.000    4.380  4.380 10.00 10.00 1000.000 0.00
1:ASN_18:HBS	1:ASN_18:HD21	-1.000    4.380  4.380 10.00 10.00 1000.000 0.00
1:ASN_18:HD22	1:LYS+_19:HN	-1.000    3.915  3.915 10.00 10.00 1000.000 0.00
1:ASN_18:HBS	1:LYS+_19:HN	-1.000    3.500  3.500 10.00 10.00 1000.000 0.00
1:ASN_18:HD21	1:PRO_36:HD1	-1.000    5.500  5.500 10.00 10.00 1000.000 0.00
1:ASN_18:HD21	1:ASP-_35:HBR	-1.000    4.141  4.141 10.00 10.00 1000.000 0.00
1:ASN_18:HD21	1:ASP-_35:HBS	-1.000    4.380  4.380 10.00 10.00 1000.000 0.00
1:ASN_18:HD21	1:LYS+_19:HG1	-1.000    3.915  3.915 10.00 10.00 1000.000 0.00
1:LYS+_19:HB*	1:LYS+_19:HN	-1.000    4.129  3.129 10.00 10.00 1000.000 0.00
1:LYS+_19:HB*	1:ASP-_20:HN	-1.000    5.141  4.141 10.00 10.00 1000.000 0.00
1:LYS+_19:HN	1:LYS+_19:HA	-1.000    2.958  2.958 10.00 10.00 1000.000 0.00
1:LYS+_19:HN	1:LYS+_19:HG1	-1.000    3.500  3.500 10.00 10.00 1000.000 0.00
1:LYS+_19:HN	1:LYS+_19:HG2	-1.000    3.702  3.702 10.00 10.00 1000.000 0.00
1:LYS+_19:HN	1:ASP-_20:HN	-1.000    2.958  2.958 10.00 10.00 1000.000 0.00
1:LYS+_19:HA	1:ASP-_20:HN	-1.000    3.915  3.915 10.00 10.00 1000.000 0.00
1:LYS+_19:HG1	1:ASP-_20:HN	-1.000    4.633  4.633 10.00 10.00 1000.000 0.00
1:ASP-_20:HN	1:ASP-_20:HA	-1.000    4.380  4.380 10.00 10.00 1000.000 0.00
1:ASP-_20:HN	1:ASP-_20:HBR	-1.000    3.702  3.702 10.00 10.00 1000.000 0.00
1:ASP-_20:HN	1:ASP-_20:HBS	-1.000    3.309  3.309 10.00 10.00 1000.000 0.00
1:ASP-_20:HN	1:GLU-_21:HN	-1.000    4.633  4.633 10.00 10.00 1000.000 0.00
1:ASP-_20:HA	1:GLU-_21:HN	-1.000    3.500  3.500 10.00 10.00 1000.000 0.00
1:ASP-_20:HBR	1:GLU-_21:HN	-1.000    3.702  3.702 10.00 10.00 1000.000 0.00
1:ASP-_20:HBS	1:GLU-_21:HN	-1.000    4.380  4.380 10.00 10.00 1000.000 0.00
1:GLU-_21:HN	1:GLU-_21:HA	-1.000    3.500  3.500 10.00 10.00 1000.000 0.00
1:GLU-_21:HN	1:GLU-_21:HBR	-1.000    3.500  3.500 10.00 10.00 1000.000 0.00
1:GLU-_21:HN	1:GLU-_21:HBS	-1.000    3.129  3.129 10.00 10.00 1000.000 0.00
1:GLU-_21:HN	1:GLU-_21:HG1	-1.000    4.380  4.380 10.00 10.00 1000.000 0.00
1:GLU-_21:HN	1:GLU-_21:HG2	-1.000    3.500  3.500 10.00 10.00 1000.000 0.00
1:GLU-_21:HA	1:CYS_22:HN	-1.000    2.797  2.797 10.00 10.00 1000.000 0.00
1:GLU-_21:HBR	1:CYS_22:HN	-1.000    4.633  4.633 10.00 10.00 1000.000 0.00
1:GLU-_21:HBS	1:CYS_22:HN	-1.000    4.380  4.380 10.00 10.00 1000.000 0.00
1:CYS_22:HN	1:CYS_22:HA	-1.000    3.915  3.915 10.00 10.00 1000.000 0.00
1:CYS_22:HN	1:CYS_22:HBR	-1.000    3.500  3.500 10.00 10.00 1000.000 0.00
1:CYS_22:HN	1:CYS_22:HBS	-1.000    3.702  3.702 10.00 10.00 1000.000 0.00
1:CYS_22:HBS	1:CYS_38:HN	-1.000    5.500  5.500 10.00 10.00 1000.000 0.00
1:PRO_23:HBR	1:GLN_26:HN	-1.000    4.633  4.633 10.00 10.00 1000.000 0.00
!this is all s d thru aliphatics
!:PRO_23:HG2	1:GLN_26:HE21	-1.000    4.633  4.633 10.00 10.00 1000.000 0.00
!:PRO_23:HG2	1:GLN_26:HE22	-1.000    4.380  4.380 10.00 10.00 1000.000 0.00
!:PRO_23:HD1	1:GLN_26:HE22	-1.000    5.500  5.500 10.00 10.00 1000.000 0.00
1:PRO_24:HB*	1:GLY_25:HN	-1.000    4.915  3.915 10.00 10.00 1000.000 0.00
1:PRO_24:HA	1:GLY_25:HN	-1.000    2.797  2.797 10.00 10.00 1000.000 0.00
1:PRO_24:HA	1:GLN_26:HN	-1.000    4.141  4.141 10.00 10.00 1000.000 0.00
1:PRO_24:HA	1:CYS_27:HN	-1.000    4.633  4.633 10.00 10.00 1000.000 0.00
!this is all s d thru aliphatics
!:PRO_24:HG2	1:GLN_26:HE21	-1.000    3.915  3.915 10.00 10.00 1000.000 0.00
!:PRO_24:HG2	1:GLN_26:HE22	-1.000    4.141  4.141 10.00 10.00 1000.000 0.00
1:GLY_25:HN	1:GLY_25:HA1	-1.000    3.129  3.129 10.00 10.00 1000.000 0.00
1:GLY_25:HN	1:GLY_25:HA2	-1.000    3.500  3.500 10.00 10.00 1000.000 0.00
1:GLY_25:HN	1:GLN_26:HN	-1.000    3.500  3.500 10.00 10.00 1000.000 0.00
1:GLY_25:HA1	1:GLN_26:HN	-1.000    4.380  4.380 10.00 10.00 1000.000 0.00
1:GLY_25:HA1	1:CYS_27:HN	-1.000    5.500  5.500 10.00 10.00 1000.000 0.00
1:GLY_25:HA2	1:GLN_26:HN	-1.000    4.141  4.141 10.00 10.00 1000.000 0.00
1:GLN_26:HB1	1:GLN_26:HN	-1.000    4.129  3.129 10.00 10.00 1000.000 0.00
1:GLN_26:HB1	1:GLN_26:HE21	-1.000    4.915  3.915 10.00 10.00 1000.000 0.00
1:GLN_26:HB1	1:GLN_26:HE22	-1.000    5.141  4.141 10.00 10.00 1000.000 0.00
1:GLN_26:HB1	1:CYS_27:HN	-1.000    5.633  4.633 10.00 10.00 1000.000 0.00
1:GLN_26:HN	1:GLN_26:HA	-1.000    3.500  3.500 10.00 10.00 1000.000 0.00
1:GLN_26:HN	1:GLN_26:HG2	-1.000    3.500  3.500 10.00 10.00 1000.000 0.00
1:GLN_26:HN	1:GLN_26:HB2	-1.000    3.915  3.915 10.00 10.00 1000.000 0.00
1:GLN_26:HN	1:CYS_27:HN	-1.000    3.129  3.129 10.00 10.00 1000.000 0.00
1:GLN_26:HA	1:GLN_26:HE21	-1.000    5.500  5.500 10.00 10.00 1000.000 0.00
1:GLN_26:HA	1:CYS_27:HN	-1.000    3.915  3.915 10.00 10.00 1000.000 0.00
1:GLN_26:HA	1:ARG+_28:NH2	-1.000    5.000  5.000 10.00 10.00 1000.000 0.00
1:GLN_26:HA	1:GL-C_39:HN	-1.000    4.633  4.633 10.00 10.00 1000.000 0.00
1:GLN_26:HE21	1:GLN_26:HB2	-1.000    3.500  3.500 10.00 10.00 1000.000 0.00
1:GLN_26:HE21	1:GLN_26:HG2	-1.000    3.915  3.915 10.00 10.00 1000.000 0.00
1:GLN_26:HG2	1:GLN_26:HE22	-1.000    4.380  4.380 10.00 10.00 1000.000 0.00
1:GLN_26:HB2	1:GLN_26:HE22	-1.000    4.141  4.141 10.00 10.00 1000.000 0.00
1:GLN_26:HB2	1:GL-C_39:HN	-1.000    3.702  3.702 10.00 10.00 1000.000 0.00
1:CYS_27:HN	1:CYS_27:HA	-1.000    4.380  4.380 10.00 10.00 1000.000 0.00
1:CYS_27:HN	1:CYS_27:HBR	-1.000    3.309  3.309 10.00 10.00 1000.000 0.00
1:CYS_27:HN	1:CYS_27:HBS	-1.000    3.309  3.309 10.00 10.00 1000.000 0.00
1:CYS_27:HN	1:ARG+_28:HN	-1.000    5.500  5.500 10.00 10.00 1000.000 0.00
1:CYS_27:HA	1:ARG+_28:HN	-1.000    3.129  3.129 10.00 10.00 1000.000 0.00
1:CYS_27:HA	1:GL-C_39:HN	-1.000    5.500  5.500 10.00 10.00 1000.000 0.00
1:CYS_27:HBR	1:ARG+_28:HN	-1.000    5.500  5.500 10.00 10.00 1000.000 0.00
1:CYS_27:HBS	1:ARG+_28:HN	-1.000    4.633  4.633 10.00 10.00 1000.000 0.00
1:ARG+_28:HG*	1:ARG+_28:HN	-1.000    4.309  3.309 10.00 10.00 1000.000 0.00
1:ARG+_28:HG*	1:ARG+_28:HE	-1.000    4.129  3.129 10.00 10.00 1000.000 0.00
1:ARG+_28:HG*	1:PHE_29:HN	-1.000    5.141  4.141 10.00 10.00 1000.000 0.00
1:ARG+_28:HG*	1:GL-C_39:HN	-1.000    4.702  3.702 10.00 10.00 1000.000 0.00
1:ARG+_28:HD*	1:ARG+_28:HN	-1.000    5.633  4.633 10.00 10.00 1000.000 0.00
1:ARG+_28:HD*	1:ARG+_28:HE	-1.000    4.129  3.129 10.00 10.00 1000.000 0.00
1:ARG+_28:HD*	1:PHE_29:HN	-1.000    5.380  4.380 10.00 10.00 1000.000 0.00
1:ARG+_28:HN	1:ARG+_28:HA	-1.000    3.702  3.702 10.00 10.00 1000.000 0.00
1:ARG+_28:HN	1:ARG+_28:HBR	-1.000    3.309  3.309 10.00 10.00 1000.000 0.00
1:ARG+_28:HN	1:ARG+_28:HBS	-1.000    3.702  3.702 10.00 10.00 1000.000 0.00
1:ARG+_28:HN	1:PHE_29:HN	-1.000    4.633  4.633 10.00 10.00 1000.000 0.00
1:ARG+_28:HN	1:PHE_29:HD1	-1.000    5.900  5.500 10.00 10.00 1000.000 0.00
1:ARG+_28:HN	1:TYR_37:HN	-1.000    3.702  3.702 10.00 10.00 1000.000 0.00
1:ARG+_28:HN	1:TYR_37:HE1	-1.000    5.033  4.633 10.00 10.00 1000.000 0.00
1:ARG+_28:HN	1:CYS_38:HA	-1.000    3.915  3.915 10.00 10.00 1000.000 0.00
1:ARG+_28:HA	1:PHE_29:HN	-1.000    2.797  2.797 10.00 10.00 1000.000 0.00
1:ARG+_28:HBR	1:ARG+_28:HE	-1.000    5.500  5.500 10.00 10.00 1000.000 0.00
1:ARG+_28:HBR	1:PHE_29:HN	-1.000    4.633  4.633 10.00 10.00 1000.000 0.00
1:ARG+_28:HBR	1:TYR_37:HN	-1.000    3.915  3.915 10.00 10.00 1000.000 0.00
1:ARG+_28:HBS	1:ARG+_28:HE	-1.000    4.380  4.380 10.00 10.00 1000.000 0.00
1:ARG+_28:HBS	1:PHE_29:HN	-1.000    3.702  3.702 10.00 10.00 1000.000 0.00
1:ARG+_28:HBS	1:TYR_37:HN	-1.000    4.633  4.633 10.00 10.00 1000.000 0.00
1:ARG+_28:HE	1:GL-C_39:HB*	-1.000    5.141  4.141 10.00 10.00 1000.000 0.00
1:ARG+_28:HE	1:GL-C_39:HG*	-1.000    5.380  4.380 10.00 10.00 1000.000 0.00
1:PHE_29:HB*	1:PHE_29:HN	-1.000    4.129  3.129 10.00 10.00 1000.000 0.00
1:PHE_29:HN	1:PHE_29:HD1	-1.000    3.529  3.129 10.00 10.00 1000.000 0.00
1:PHE_29:HN	1:PRO_30:HD2	-1.000    4.380  4.380 10.00 10.00 1000.000 0.00
1:PRO_30:HA	1:ARG+_31:HN	-1.000    2.500  2.500 10.00 10.00 1000.000 0.00
1:PRO_30:HBR	1:ARG+_31:HN	-1.000    3.129  3.129 10.00 10.00 1000.000 0.00
1:PRO_30:HBS	1:ARG+_31:HN	-1.000    3.702  3.702 10.00 10.00 1000.000 0.00
!both are probably s d from 34hbx
!:PRO_30:HG1	1:ALA_34:HN	-1.000    5.500  5.500 10.00 10.00 1000.000 0.00
!:PRO_30:HG2	1:ALA_34:HN	-1.000    4.633  4.633 10.00 10.00 1000.000 0.00
1:PRO_30:HG1	1:ASP-_35:HN	-1.000    4.633  4.633 10.00 10.00 1000.000 0.00
!this is most likely s d from 30gs and 30bs
!:PRO_30:HD2	1:ARG+_31:HN	-1.000    4.380  4.380 10.00 10.00 1000.000 0.00
1:PRO_30:HD2	1:TYR_37:HN	-1.000    4.141  4.141 10.00 10.00 1000.000 0.00
1:ARG+_31:HG*	1:ARG+_31:HN	-1.000    4.500  3.500 10.00 10.00 1000.000 0.00
1:ARG+_31:HG*	1:ARG+_31:HE	-1.000    5.633  4.633 10.00 10.00 1000.000 0.00
1:ARG+_31:HG*	1:GLY_32:HN	-1.000    4.915  3.915 10.00 10.00 1000.000 0.00
1:ARG+_31:HD*	1:ARG+_31:HN	-1.000    5.380  4.380 10.00 10.00 1000.000 0.00
1:ARG+_31:HD*	1:ARG+_31:HE	-1.000    4.309  3.309 10.00 10.00 1000.000 0.00
1:ARG+_31:HD*	1:GLY_32:HN	-1.000    6.500  5.500 10.00 10.00 1000.000 0.00
1:ARG+_31:HN	1:ARG+_31:HA	-1.000    2.797  2.797 10.00 10.00 1000.000 0.00
!probably overlaps with 31hg1 increase to 3.702 from 3.309
1:ARG+_31:HN	1:ARG+_31:HB2	-1.000    3.702  3.702 10.00 10.00 1000.000 0.00
1:ARG+_31:HN	1:ARG+_31:HB1	-1.000    2.958  2.958 10.00 10.00 1000.000 0.00
1:ARG+_31:HN	1:ALA_34:HB*	-1.000    5.380  4.380 10.00 10.00 1000.000 0.00
1:ARG+_31:HA	1:GLY_32:HN	-1.000    2.797  2.797 10.00 10.00 1000.000 0.00
1:ARG+_31:HB2	1:GLY_32:HN	-1.000    3.129  3.129 10.00 10.00 1000.000 0.00
1:ARG+_31:HB1	1:GLY_32:HN	-1.000    4.380  4.380 10.00 10.00 1000.000 0.00
1:GLY_32:HN	1:GLY_32:HA1	-1.000    2.958  2.958 10.00 10.00 1000.000 0.00
1:GLY_32:HN	1:GLY_32:HA2	-1.000    3.129  3.129 10.00 10.00 1000.000 0.00
1:GLY_32:HA1	1:ASP-_33:HN	-1.000    3.309  3.309 10.00 10.00 1000.000 0.00
1:GLY_32:HA1	1:ALA_34:HN	-1.000    5.500  5.500 10.00 10.00 1000.000 0.00
1:GLY_32:HA2	1:ASP-_33:HN	-1.000    3.129  3.129 10.00 10.00 1000.000 0.00
1:GLY_32:HA2	1:ALA_34:HN	-1.000    4.633  4.633 10.00 10.00 1000.000 0.00
1:ASP-_33:HN	1:ASP-_33:HA	-1.000    3.702  3.702 10.00 10.00 1000.000 0.00
1:ASP-_33:HN	1:ASP-_33:HB2	-1.000    3.500  3.500 10.00 10.00 1000.000 0.00
1:ASP-_33:HN	1:ASP-_33:HB1	-1.000    3.309  3.309 10.00 10.00 1000.000 0.00
1:ASP-_33:HN	1:ALA_34:HB*	-1.000    5.633  4.633 10.00 10.00 1000.000 0.00
1:ASP-_33:HN	1:ALA_34:HN	-1.000    3.129  3.129 10.00 10.00 1000.000 0.00
1:ASP-_33:HA	1:ALA_34:HN	-1.000    3.915  3.915 10.00 10.00 1000.000 0.00
1:ASP-_33:HB2	1:ALA_34:HN	-1.000    4.633  4.633 10.00 10.00 1000.000 0.00
1:ASP-_33:HB1	1:ALA_34:HN	-1.000    5.500  5.500 10.00 10.00 1000.000 0.00
1:ALA_34:HB*	1:ALA_34:HN	-1.000    3.644  2.644 10.00 10.00 1000.000 0.00
1:ALA_34:HB*	1:ASP-_35:HN	-1.000    3.644  2.644 10.00 10.00 1000.000 0.00
1:ALA_34:HN	1:ALA_34:HA	-1.000    3.500  3.500 10.00 10.00 1000.000 0.00
!increase to 4.129 it is much weaker than 33hn-34hn
1:ALA_34:HN	1:ASP-_35:HN	-1.000    4.129  4.129 10.00 10.00 1000.000 0.00
1:ALA_34:HA	1:ASP-_35:HN	-1.000    2.500  2.500 10.00 10.00 1000.000 0.00
1:ASP-_35:HN	1:ASP-_35:HA	-1.000    3.702  3.702 10.00 10.00 1000.000 0.00
!much smaller in 60ms than hbs increase to 3.702 from 3.31
1:ASP-_35:HN	1:ASP-_35:HBR	-1.000    3.702  3.702 10.00 10.00 1000.000 0.00
1:ASP-_35:HN	1:ASP-_35:HBS	-1.000    2.797  2.797 10.00 10.00 1000.000 0.00
!both 36ds are almost absent in 60ms
!:ASP-_35:HN	1:PRO_36:HD1	-1.000    4.633  4.633 10.00 10.00 1000.000 0.00
!this one is barely in 60ms increase to 5.500 from 4.141
1:ASP-_35:HN	1:PRO_36:HD2	-1.000    5.500  5.500 10.00 10.00 1000.000 0.00
1:PRO_36:HB*	1:TYR_37:HN	-1.000    4.500  3.500 10.00 10.00 1000.000 0.00
1:TYR_37:HB*	1:TYR_37:HN	-1.000    4.500  3.500 10.00 10.00 1000.000 0.00
1:TYR_37:HB*	1:CYS_38:HN	-1.000    4.129  3.129 10.00 10.00 1000.000 0.00
1:TYR_37:HN	1:TYR_37:HD2	-1.000    3.709  3.309 10.00 10.00 1000.000 0.00
1:TYR_37:HN	1:CYS_38:HN	-1.000    5.500  5.500 10.00 10.00 1000.000 0.00
1:TYR_37:HD1	1:CYS_38:HN	-1.000    4.315  3.915 10.00 10.00 1000.000 0.00
1:TYR_37:HD1	1:GL-C_39:HN	-1.000    4.780  4.380 10.00 10.00 1000.000 0.00
1:TYR_37:HE1	1:GL-C_39:HN	-1.000    5.900  5.500 10.00 10.00 1000.000 0.00
1:CYS_38:HN	1:CYS_38:HA	-1.000    3.915  3.915 10.00 10.00 1000.000 0.00
1:CYS_38:HN	1:CYS_38:HBR	-1.000    3.129  3.129 10.00 10.00 1000.000 0.00
1:CYS_38:HN	1:CYS_38:HBS	-1.000    3.309  3.309 10.00 10.00 1000.000 0.00
1:CYS_38:HA	1:GL-C_39:HN	-1.000    2.958  2.958 10.00 10.00 1000.000 0.00
1:CYS_38:HBR	1:GL-C_39:HN	-1.000    4.380  4.380 10.00 10.00 1000.000 0.00
1:GL-C_39:HB*	1:GL-C_39:HN	-1.000    4.129  3.129 10.00 10.00 1000.000 0.00
1:GL-C_39:HG*	1:GL-C_39:HN	-1.000    4.702  3.702 10.00 10.00 1000.000 0.00
1:GL-C_39:HN	1:GL-C_39:HA	-1.000    3.129  3.129 10.00 10.00 1000.000 0.00

  Entry H atom name         Orig H atom name
  Start of MODEL           1
 Raw file had 275 H/Q atoms
  Start of MODEL    1
    1   1H    ALA   1          2H        ALA   1   8.434 -11.031 -13.895
    2   2H    ALA   1          1H        ALA   1   8.970 -11.964 -12.641
    3   3H    ALA   1          3H        ALA   1   7.464 -12.214 -13.272
    4    HA   ALA   1           HA       ALA   1   6.686 -10.068 -12.523
    5   1HB   ALA   1          1HB       ALA   1   6.305 -11.997 -11.041
    6   2HB   ALA   1          2HB       ALA   1   7.908 -11.797 -10.284
    7   3HB   ALA   1          3HB       ALA   1   6.654 -10.552 -10.072
    8    HA   PRO   2           HA       PRO   2  10.438  -7.280 -12.315
    9   1HB   PRO   2          1HB       PRO   2   8.161  -5.293 -11.723
   10   2HB   PRO   2          2HB       PRO   2   9.597  -5.063 -12.744
   11   1HG   PRO   2          2HG       PRO   2   7.219  -5.647 -13.906
   12   2HG   PRO   2          1HG       PRO   2   8.683  -6.479 -14.488
   13   1HD   PRO   2          1HD       PRO   2   6.519  -7.576 -12.616
   14   2HD   PRO   2          2HD       PRO   2   7.383  -8.386 -13.955
   15    NH1  ARG   3           NH1      ARG   3  17.768  -7.837  -7.472
   16    NH2  ARG   3           NH2      ARG   3  17.050  -7.274  -5.389
   17    H    ARG   3           H        ARG   3  11.623  -6.156 -10.751
   18    HA   ARG   3           HA       ARG   3  10.955  -6.735  -7.878
   19   1HB   ARG   3          2HB       ARG   3  13.462  -5.566  -9.234
   20   2HB   ARG   3          1HB       ARG   3  13.274  -5.746  -7.504
   21   1HG   ARG   3          1HG       ARG   3  12.943  -8.256  -7.773
   22   2HG   ARG   3          2HG       ARG   3  13.154  -8.074  -9.505
   23   1HD   ARG   3          1HD       ARG   3  15.256  -8.839  -8.668
   24   2HD   ARG   3          2HD       ARG   3  15.499  -7.152  -9.130
   25    HE   ARG   3           HE       ARG   3  14.815  -7.277  -6.267
   26   1HH1  ARG   3          2HH1      ARG   3  17.520  -8.046  -8.445
   27   2HH1  ARG   3          1HH1      ARG   3  18.710  -7.827  -7.066
   28   1HH2  ARG   3          1HH2      ARG   3  18.041  -7.304  -5.128
   29   2HH2  ARG   3          2HH2      ARG   3  16.258  -7.055  -4.774
   30    H    LEU   4           H        LEU   4   9.283  -5.366  -7.421
   31    HA   LEU   4           HA       LEU   4   9.460  -2.409  -7.932
   32   1HB   LEU   4          1HB       LEU   4   7.141  -4.185  -7.014
   33   2HB   LEU   4          2HB       LEU   4   7.061  -2.478  -7.394
   34    HG   LEU   4           HG       LEU   4   7.711  -4.703  -9.402
   35   1HD1  LEU   4          1HD1      LEU   4   5.356  -4.669  -8.629
   36   2HD1  LEU   4          2HD1      LEU   4   5.200  -2.949  -9.022
   37   3HD1  LEU   4          3HD1      LEU   4   5.452  -4.148 -10.325
   38   1HD2  LEU   4          1HD2      LEU   4   7.418  -1.672  -9.931
   39   2HD2  LEU   4          3HD2      LEU   4   8.893  -2.642 -10.150
   40   3HD2  LEU   4          2HD2      LEU   4   7.489  -2.932 -11.187
   41    HA   PRO   5           HA       PRO   5   9.968  -1.370  -3.374
   42   1HB   PRO   5          1HB       PRO   5   8.640   1.166  -4.506
   43   2HB   PRO   5          2HB       PRO   5   9.985   1.039  -3.349
   44   1HG   PRO   5          1HG       PRO   5  10.520   1.633  -5.935
   45   2HG   PRO   5          2HG       PRO   5  11.547   0.432  -5.110
   46   1HD   PRO   5          1HD       PRO   5   9.220  -0.096  -7.044
   47   2HD   PRO   5          2HD       PRO   5  10.835  -0.868  -6.981
   48    H    GLN   6           H        GLN   6   8.402  -0.437  -1.692
   49    HA   GLN   6           HA       GLN   6   5.632  -1.590  -2.048
   50   1HB   GLN   6          1HB       GLN   6   7.136  -2.062   0.021
   51   2HB   GLN   6          2HB       GLN   6   6.868  -0.398   0.498
   52   1HG   GLN   6          2HG       GLN   6   5.348  -1.785   1.735
   53   2HG   GLN   6          1HG       GLN   6   4.383  -0.834   0.618
   54   1HE2  GLN   6          2HE2      GLN   6   2.766  -3.949  -0.155
   55   2HE2  GLN   6          1HE2      GLN   6   2.649  -2.212   0.426
   56    H    CYS   7           H        CYS   7   3.889  -0.399  -2.139
   57    HA   CYS   7           HA       CYS   7   3.960   2.366  -3.074
   58   1HB   CYS   7          1HB       CYS   7   1.563   0.648  -2.180
   59   2HB   CYS   7          2HB       CYS   7   1.401   2.243  -2.939
   60    H    GLN   8           H        GLN   8   3.095   4.228  -2.251
   61    HA   GLN   8           HA       GLN   8   2.920   4.512   0.806
   62   1HB   GLN   8          1HB       GLN   8   3.878   6.566  -1.286
   63   2HB   GLN   8          2HB       GLN   8   3.599   6.920   0.417
   64   1HG   GLN   8          1HG       GLN   8   5.343   5.266   1.112
   65   2HG   GLN   8          2HG       GLN   8   5.638   4.818  -0.559
   66   1HE2  GLN   8          2HE2      GLN   8   7.703   7.721  -1.173
   67   2HE2  GLN   8          1HE2      GLN   8   6.836   6.267  -1.887
   68    H    GLY   9           H        GLY   9   1.625   6.115  -2.175
   69   1HA   GLY   9          1HA       GLY   9  -1.152   5.894  -1.676
   70   2HA   GLY   9          2HA       GLY   9  -0.706   7.264  -0.656
   71    H    ASP  10           H        ASP  10  -1.140   6.160  -3.897
   72    HA   ASP  10           HA       ASP  10  -1.185   7.155  -6.009
   73   1HB   ASP  10          1HB       ASP  10  -2.681   8.866  -4.863
   74   2HB   ASP  10          2HB       ASP  10  -1.283   9.916  -4.660
   75    H    ASP  11           H        ASP  11   0.799   6.270  -6.400
   76    HA   ASP  11           HA       ASP  11   3.297   7.530  -5.427
   77   1HB   ASP  11          1HB       ASP  11   2.670   4.908  -6.957
   78   2HB   ASP  11          2HB       ASP  11   4.296   5.380  -6.530
   79    H    GLN  12           H        GLN  12   5.195   7.738  -6.631
   80    HA   GLN  12           HA       GLN  12   4.945   9.138  -9.288
   81   1HB   GLN  12          1HB       GLN  12   7.431   8.528  -7.565
   82   2HB   GLN  12          2HB       GLN  12   7.469   9.369  -9.111
   83   1HG   GLN  12          1HG       GLN  12   5.966  11.186  -8.209
   84   2HG   GLN  12          2HG       GLN  12   5.926  10.383  -6.648
   85   1HE2  GLN  12          2HE2      GLN  12   9.229  12.615  -7.560
   86   2HE2  GLN  12          1HE2      GLN  12   7.869  12.353  -8.767
   87    H    GLU  13           H        GLU  13   6.488   6.074  -8.138
   88    HA   GLU  13           HA       GLU  13   6.514   5.100 -11.056
   89   1HB   GLU  13          1HB       GLU  13   8.640   4.499  -8.881
   90   2HB   GLU  13          2HB       GLU  13   8.571   3.739 -10.461
   91   1HG   GLU  13          2HG       GLU  13   8.905   5.949 -11.612
   92   2HG   GLU  13          1HG       GLU  13   9.020   6.757 -10.051
   93    H    LYS  14           H        LYS  14   6.810   2.662 -11.077
   94    HA   LYS  14           HA       LYS  14   4.287   1.543 -10.081
   95   1HB   LYS  14          1HB       LYS  14   5.431   1.036 -12.309
   96   2HB   LYS  14          2HB       LYS  14   6.639   0.080 -11.447
   97   1HG   LYS  14          2HG       LYS  14   4.779  -1.438 -10.618
   98   2HG   LYS  14          1HG       LYS  14   3.600  -0.483 -11.488
   99   1HD   LYS  14          2HD       LYS  14   5.942  -1.963 -12.842
  100   2HD   LYS  14          1HD       LYS  14   4.345  -2.656 -12.585
  101   1HE   LYS  14          2HE       LYS  14   3.290  -0.816 -13.982
  102   2HE   LYS  14          1HE       LYS  14   4.892  -0.127 -14.282
  103   1HZ   LYS  14          3HZ       LYS  14   5.534  -2.234 -15.341
  104   2HZ   LYS  14          1HZ       LYS  14   4.031  -2.867 -15.075
  105   3HZ   LYS  14          2HZ       LYS  14   4.215  -1.574 -16.086
  106    H    CYS  15           H        CYS  15   3.893   0.026  -8.489
  107    HA   CYS  15           HA       CYS  15   6.040  -0.799  -6.553
  108   1HB   CYS  15          1HB       CYS  15   5.195   0.573  -4.661
  109   2HB   CYS  15          2HB       CYS  15   5.728   1.619  -5.991
  110    H    LEU  16           H        LEU  16   5.131  -1.824  -4.644
  111    HA   LEU  16           HA       LEU  16   2.984  -3.809  -5.333
  112   1HB   LEU  16          2HB       LEU  16   4.751  -3.448  -2.836
  113   2HB   LEU  16          1HB       LEU  16   3.573  -4.725  -2.969
  114    HG   LEU  16           HG       LEU  16   5.913  -4.408  -4.939
  115   1HD1  LEU  16          2HD2      LEU  16   6.776  -4.751  -2.629
  116   2HD1  LEU  16          1HD2      LEU  16   5.729  -6.172  -2.410
  117   3HD1  LEU  16          3HD2      LEU  16   7.049  -6.204  -3.611
  118   1HD2  LEU  16          3HD1      LEU  16   4.009  -6.796  -4.395
  119   2HD2  LEU  16          1HD1      LEU  16   4.010  -5.780  -5.856
  120   3HD2  LEU  16          2HD1      LEU  16   5.407  -6.816  -5.504
  121    H    CYS  17           H        CYS  17   0.938  -3.304  -4.986
  122    HA   CYS  17           HA       CYS  17   0.048  -1.409  -2.770
  123   1HB   CYS  17          1HB       CYS  17  -0.779  -1.325  -5.293
  124   2HB   CYS  17          2HB       CYS  17  -1.862  -2.652  -4.819
  125    H    ASN  18           H        ASN  18   0.315  -2.652  -0.975
  126    HA   ASN  18           HA       ASN  18   0.027  -4.257   0.681
  127   1HB   ASN  18          1HB       ASN  18  -2.428  -4.143   0.306
  128   2HB   ASN  18          2HB       ASN  18  -2.334  -5.372  -0.931
  129   1HD2  ASN  18          1HD2      ASN  18  -2.745  -7.956   1.460
  130   2HD2  ASN  18          2HD2      ASN  18  -3.170  -7.189  -0.151
  131    H    LYS  19           H        LYS  19  -0.791  -6.339  -2.010
  132    HA   LYS  19           HA       LYS  19   2.011  -7.135  -2.533
  133   1HB   LYS  19          2HB       LYS  19   1.689  -9.626  -2.282
  134   2HB   LYS  19          1HB       LYS  19   1.866  -8.731  -0.794
  135   1HG   LYS  19          1HG       LYS  19  -0.489  -8.938  -0.215
  136   2HG   LYS  19          2HG       LYS  19  -0.929  -9.551  -1.798
  137   1HD   LYS  19          2HD       LYS  19   0.479 -11.628  -1.372
  138   2HD   LYS  19          1HD       LYS  19   0.926 -10.991   0.216
  139   1HE   LYS  19          2HE       LYS  19  -1.526 -10.997   0.907
  140   2HE   LYS  19          1HE       LYS  19  -1.970 -11.640  -0.681
  141   1HZ   LYS  19          2HZ       LYS  19  -0.599 -13.604  -0.202
  142   2HZ   LYS  19          3HZ       LYS  19  -0.187 -13.004   1.281
  143   3HZ   LYS  19          1HZ       LYS  19  -1.758 -13.400   0.957
  144    H    ASP  20           H        ASP  20   0.458  -5.732  -4.095
  145    HA   ASP  20           HA       ASP  20  -0.176  -7.576  -6.460
  146   1HB   ASP  20          1HB       ASP  20  -1.778  -5.098  -5.503
  147   2HB   ASP  20          2HB       ASP  20  -2.037  -5.945  -7.012
  148    H    GLU  21           H        GLU  21   1.168  -7.040  -8.134
  149    HA   GLU  21           HA       GLU  21   2.847  -4.659  -8.148
  150   1HB   GLU  21          1HB       GLU  21   2.239  -6.769 -10.349
  151   2HB   GLU  21          2HB       GLU  21   3.502  -5.566 -10.389
  152   1HG   GLU  21          1HG       GLU  21   4.438  -6.639  -8.176
  153   2HG   GLU  21          2HG       GLU  21   3.309  -7.950  -8.461
  154    H    CYS  22           H        CYS  22   2.042  -2.751  -8.480
  155    HA   CYS  22           HA       CYS  22  -0.446  -2.352 -10.204
  156   1HB   CYS  22          1HB       CYS  22  -0.694  -2.464  -7.663
  157   2HB   CYS  22          2HB       CYS  22   0.234  -0.948  -7.548
  158    HA   PRO  23           HA       PRO  23   1.976   1.002 -12.154
  159   1HB   PRO  23          1HB       PRO  23  -0.009   2.355 -13.566
  160   2HB   PRO  23          2HB       PRO  23   0.635   0.773 -14.016
  161   1HG   PRO  23          2HG       PRO  23  -1.918   1.370 -12.442
  162   2HG   PRO  23          1HG       PRO  23  -1.723   0.273 -13.831
  163   1HD   PRO  23          1HD       PRO  23  -1.718  -0.640 -11.231
  164   2HD   PRO  23          2HD       PRO  23  -0.688  -1.425 -12.468
  165    HA   PRO  24           HA       PRO  24   1.936   4.373  -9.273
  166   1HB   PRO  24          2HB       PRO  24   2.878   6.580 -10.887
  167   2HB   PRO  24          1HB       PRO  24   3.791   5.398  -9.963
  168   1HG   PRO  24          2HG       PRO  24   3.351   5.522 -12.905
  169   2HG   PRO  24          1HG       PRO  24   4.631   4.711 -12.035
  170   1HD   PRO  24          2HD       PRO  24   2.433   3.381 -13.220
  171   2HD   PRO  24          1HD       PRO  24   3.507   2.689 -11.984
  172    H    GLY  25           H        GLY  25   0.517   5.634  -8.350
  173   1HA   GLY  25          1HA       GLY  25  -1.183   7.474  -8.288
  174   2HA   GLY  25          2HA       GLY  25  -1.640   7.167  -9.932
  175    H    GLN  26           H        GLN  26  -2.113   4.495 -10.059
  176    HA   GLN  26           HA       GLN  26  -4.746   4.250  -8.878
  177   1HB   GLN  26          1HB       GLN  26  -2.962   2.159 -10.285
  178   2HB   GLN  26          2HB       GLN  26  -4.644   1.888  -9.938
  179   1HG   GLN  26          2HG       GLN  26  -3.592   4.121 -11.783
  180   2HG   GLN  26          1HG       GLN  26  -4.171   2.565 -12.304
  181   1HE2  GLN  26          2HE2      GLN  26  -7.634   3.580 -12.085
  182   2HE2  GLN  26          1HE2      GLN  26  -6.434   2.233 -12.425
  183    H    CYS  27           H        CYS  27  -1.910   3.466  -7.109
  184    HA   CYS  27           HA       CYS  27  -3.120   1.198  -5.575
  185   1HB   CYS  27          1HB       CYS  27  -0.682   1.341  -5.765
  186   2HB   CYS  27          2HB       CYS  27  -0.654   2.897  -4.887
  187    NH1  ARG  28           NH1      ARG  28  -5.780   7.643  -6.490
  188    NH2  ARG  28           NH2      ARG  28  -6.636   6.970  -8.484
  189    H    ARG  28           H        ARG  28  -4.827   1.591  -4.420
  190    HA   ARG  28           HA       ARG  28  -5.314   4.252  -3.011
  191   1HB   ARG  28          1HB       ARG  28  -7.264   2.000  -3.801
  192   2HB   ARG  28          2HB       ARG  28  -7.715   3.524  -3.062
  193   1HG   ARG  28          1HG       ARG  28  -6.610   3.092  -5.871
  194   2HG   ARG  28          2HG       ARG  28  -8.244   3.547  -5.429
  195   1HD   ARG  28          2HD       ARG  28  -7.438   5.797  -4.611
  196   2HD   ARG  28          1HD       ARG  28  -5.758   5.330  -4.954
  197    HE   ARG  28           HE       ARG  28  -7.476   5.012  -7.343
  198   1HH1  ARG  28          2HH1      ARG  28  -5.652   7.442  -5.492
  199   2HH1  ARG  28          1HH1      ARG  28  -5.441   8.466  -7.001
  200   1HH2  ARG  28          1HH2      ARG  28  -7.159   6.261  -9.009
  201   2HH2  ARG  28          2HH2      ARG  28  -6.238   7.840  -8.855
  202    H    PHE  29           H        PHE  29  -5.762   4.366  -0.908
  203    HA   PHE  29           HA       PHE  29  -5.150   1.891   0.823
  204   1HB   PHE  29          2HB       PHE  29  -4.332   4.839   1.124
  205   2HB   PHE  29          1HB       PHE  29  -4.262   3.709   2.443
  206    HD1  PHE  29           HD1      PHE  29  -2.966   4.134  -1.110
  207    HD2  PHE  29           HD2      PHE  29  -2.337   2.328   2.749
  208    HE1  PHE  29           HE1      PHE  29  -0.792   3.277  -1.852
  209    HE2  PHE  29           HE2      PHE  29  -0.153   1.495   1.987
  210    HZ   PHE  29           HZ       PHE  29   0.610   1.948  -0.315
  211    HA   PRO  30           HA       PRO  30  -9.372   3.285   2.357
  212   1HB   PRO  30          1HB       PRO  30 -10.550   0.823   2.721
  213   2HB   PRO  30          2HB       PRO  30 -10.370   1.575   1.132
  214   1HG   PRO  30          1HG       PRO  30  -8.541  -0.528   2.400
  215   2HG   PRO  30          2HG       PRO  30  -9.277  -0.577   0.789
  216   1HD   PRO  30          1HD       PRO  30  -6.695   0.306   1.245
  217   2HD   PRO  30          2HD       PRO  30  -7.679   1.027  -0.060
  218    NH1  ARG  31           NH1      ARG  31 -11.643   9.470   7.170
  219    NH2  ARG  31           NH2      ARG  31 -10.021  10.336   5.833
  220    H    ARG  31           H        ARG  31 -10.237   3.339   4.387
  221    HA   ARG  31           HA       ARG  31  -8.257   3.247   6.527
  222   1HB   ARG  31          1HB       ARG  31 -11.229   4.100   6.524
  223   2HB   ARG  31          2HB       ARG  31 -10.160   4.325   7.895
  224   1HG   ARG  31          1HG       ARG  31  -8.615   5.759   6.536
  225   2HG   ARG  31          2HG       ARG  31  -9.674   5.585   5.134
  226   1HD   ARG  31          1HD       ARG  31 -11.579   6.647   6.434
  227   2HD   ARG  31          2HD       ARG  31 -10.508   6.842   7.835
  228    HE   ARG  31           HE       ARG  31  -9.197   8.098   5.553
  229   1HH1  ARG  31          2HH1      ARG  31 -12.055   8.635   7.602
  230   2HH1  ARG  31          1HH1      ARG  31 -11.970  10.437   7.269
  231   1HH2  ARG  31          1HH2      ARG  31  -9.197  10.163   5.245
  232   2HH2  ARG  31          2HH2      ARG  31 -10.460  11.243   6.024
  233    H    GLY  32           H        GLY  32  -8.723   2.625   8.745
  234   1HA   GLY  32          1HA       GLY  32  -9.411   1.203  10.508
  235   2HA   GLY  32          2HA       GLY  32 -10.775   0.720   9.524
  236    H    ASP  33           H        ASP  33 -10.809  -1.401   9.052
  237    HA   ASP  33           HA       ASP  33  -8.217  -3.041   8.854
  238   1HB   ASP  33          2HB       ASP  33 -11.020  -3.859   9.870
  239   2HB   ASP  33          1HB       ASP  33  -9.782  -4.997   9.422
  240    H    ALA  34           H        ALA  34  -8.642  -1.696   6.703
  241    HA   ALA  34           HA       ALA  34  -9.578  -3.824   4.713
  242   1HB   ALA  34          2HB       ALA  34 -10.002  -0.775   4.446
  243   2HB   ALA  34          3HB       ALA  34 -10.395  -2.005   3.215
  244   3HB   ALA  34          1HB       ALA  34 -11.266  -1.994   4.761
  245    H    ASP  35           H        ASP  35  -8.126  -4.328   3.344
  246    HA   ASP  35           HA       ASP  35  -5.350  -3.340   3.646
  247   1HB   ASP  35          1HB       ASP  35  -6.451  -5.590   1.853
  248   2HB   ASP  35          2HB       ASP  35  -4.757  -5.166   1.946
  249    HA   PRO  36           HA       PRO  36  -5.066  -0.536   0.058
  250   1HB   PRO  36          2HB       PRO  36  -2.274  -1.680  -0.383
  251   2HB   PRO  36          1HB       PRO  36  -2.795   0.011  -0.300
  252   1HG   PRO  36          2HG       PRO  36  -1.588  -1.161   1.848
  253   2HG   PRO  36          1HG       PRO  36  -2.970  -0.070   2.099
  254   1HD   PRO  36          1HD       PRO  36  -2.984  -3.123   2.194
  255   2HD   PRO  36          2HD       PRO  36  -3.816  -1.924   3.225
  256    OH   TYR  37           OH       TYR  37 -10.640   2.335  -3.682
  257    H    TYR  37           H        TYR  37  -6.024  -0.802  -1.844
  258    HA   TYR  37           HA       TYR  37  -5.694  -3.421  -3.398
  259   1HB   TYR  37          2HB       TYR  37  -7.883  -3.147  -4.299
  260   2HB   TYR  37          1HB       TYR  37  -7.952  -3.107  -2.571
  261    HD1  TYR  37           HD1      TYR  37  -8.443  -1.101  -5.662
  262    HD2  TYR  37           HD2      TYR  37  -8.628  -1.006  -1.373
  263    HE1  TYR  37           HE1      TYR  37  -9.725   0.994  -5.762
  264    HE2  TYR  37           HE2      TYR  37  -9.915   1.080  -1.470
  265    HH   TYR  37           HH       TYR  37 -10.758   2.584  -4.602
  266    H    CYS  38           H        CYS  38  -5.230  -3.428  -5.500
  267    HA   CYS  38           HA       CYS  38  -4.204  -0.925  -6.848
  268   1HB   CYS  38          1HB       CYS  38  -2.963  -3.098  -7.089
  269   2HB   CYS  38          2HB       CYS  38  -4.334  -3.780  -8.002
  270    H    GLU  39           H        GLU  39  -5.552   0.314  -7.928
  271    HA   GLU  39           HA       GLU  39  -8.377  -0.474  -8.522
  272   1HB   GLU  39          1HB       GLU  39  -7.677   1.731  -7.499
  273   2HB   GLU  39          2HB       GLU  39  -6.911   2.195  -9.015
  274   1HG   GLU  39          2HG       GLU  39  -9.180   2.076 -10.166
  275   2HG   GLU  39          1HG       GLU  39  -9.921   1.570  -8.647
   
  Start of MODEL           2
 Raw file had 275 H/Q atoms
  Start of MODEL    2
    1   1H    ALA   1          3H        ALA   1  12.137  -9.631 -14.899
    2   2H    ALA   1          1H        ALA   1  13.417  -9.956 -13.906
    3   3H    ALA   1          2H        ALA   1  12.456 -11.187 -14.444
    4    HA   ALA   1           HA       ALA   1  10.557 -10.373 -13.221
    5   1HB   ALA   1          1HB       ALA   1  11.986 -12.055 -12.122
    6   2HB   ALA   1          2HB       ALA   1  13.063 -10.789 -11.478
    7   3HB   ALA   1          3HB       ALA   1  11.377 -10.900 -10.920
    8    HA   PRO   2           HA       PRO   2  11.147  -5.764 -12.737
    9   1HB   PRO   2          2HB       PRO   2   8.310  -6.024 -11.594
   10   2HB   PRO   2          1HB       PRO   2   8.957  -4.822 -12.724
   11   1HG   PRO   2          2HG       PRO   2   7.460  -6.894 -13.655
   12   2HG   PRO   2          1HG       PRO   2   8.912  -6.399 -14.557
   13   1HD   PRO   2          1HD       PRO   2   8.613  -8.785 -12.649
   14   2HD   PRO   2          2HD       PRO   2   9.445  -8.683 -14.230
   15    NH1  ARG   3           NH1      ARG   3  13.968 -10.378  -8.344
   16    NH2  ARG   3           NH2      ARG   3  15.700 -10.760  -9.766
   17    H    ARG   3           H        ARG   3  12.255  -4.881 -11.098
   18    HA   ARG   3           HA       ARG   3  11.981  -5.898  -8.272
   19   1HB   ARG   3          2HB       ARG   3  14.099  -4.046  -9.508
   20   2HB   ARG   3          1HB       ARG   3  14.125  -4.735  -7.905
   21   1HG   ARG   3          2HG       ARG   3  14.387  -6.256 -10.559
   22   2HG   ARG   3          1HG       ARG   3  15.667  -5.913  -9.406
   23   1HD   ARG   3          1HD       ARG   3  14.549  -7.414  -7.691
   24   2HD   ARG   3          2HD       ARG   3  13.238  -7.740  -8.841
   25    HE   ARG   3           HE       ARG   3  15.886  -8.381 -10.024
   26   1HH1  ARG   3          1HH1      ARG   3  13.369  -9.689  -7.877
   27   2HH1  ARG   3          2HH1      ARG   3  13.915 -11.399  -8.256
   28   1HH2  ARG   3          1HH2      ARG   3  16.421 -10.367 -10.382
   29   2HH2  ARG   3          2HH2      ARG   3  15.527 -11.754  -9.579
   30    H    LEU   4           H        LEU   4  10.100  -4.941  -7.631
   31    HA   LEU   4           HA       LEU   4   9.621  -2.016  -8.028
   32   1HB   LEU   4          1HB       LEU   4   7.749  -4.243  -7.080
   33   2HB   LEU   4          2HB       LEU   4   7.306  -2.590  -7.461
   34    HG   LEU   4           HG       LEU   4   8.389  -4.643  -9.472
   35   1HD1  LEU   4          2HD2      LEU   4   6.079  -5.097  -8.653
   36   2HD1  LEU   4          1HD2      LEU   4   5.568  -3.451  -9.106
   37   3HD1  LEU   4          3HD2      LEU   4   6.071  -4.616 -10.364
   38   1HD2  LEU   4          2HD1      LEU   4   7.413  -1.762 -10.026
   39   2HD2  LEU   4          3HD1      LEU   4   9.077  -2.360 -10.238
   40   3HD2  LEU   4          1HD1      LEU   4   7.778  -2.983 -11.266
   41    HA   PRO   5           HA       PRO   5  10.061  -1.032  -3.460
   42   1HB   PRO   5          1HB       PRO   5   8.386   1.333  -4.494
   43   2HB   PRO   5          2HB       PRO   5   9.768   1.354  -3.376
   44   1HG   PRO   5          1HG       PRO   5  10.143   2.084  -5.956
   45   2HG   PRO   5          2HG       PRO   5  11.347   1.014  -5.191
   46   1HD   PRO   5          1HD       PRO   5   9.052   0.217  -7.071
   47   2HD   PRO   5          2HD       PRO   5  10.759  -0.320  -7.085
   48    H    GLN   6           H        GLN   6   8.397  -0.221  -1.794
   49    HA   GLN   6           HA       GLN   6   5.714  -1.609  -2.105
   50   1HB   GLN   6          1HB       GLN   6   7.136  -2.133  -0.109
   51   2HB   GLN   6          2HB       GLN   6   7.050  -0.461   0.415
   52   1HG   GLN   6          1HG       GLN   6   5.500  -1.742   1.725
   53   2HG   GLN   6          2HG       GLN   6   4.547  -0.698   0.689
   54   1HE2  GLN   6          2HE2      GLN   6   2.667  -3.621  -0.216
   55   2HE2  GLN   6          1HE2      GLN   6   2.726  -1.839   0.217
   56    H    CYS   7           H        CYS   7   3.939  -0.514  -2.144
   57    HA   CYS   7           HA       CYS   7   3.892   2.312  -3.031
   58   1HB   CYS   7          1HB       CYS   7   1.555   0.437  -2.319
   59   2HB   CYS   7          2HB       CYS   7   1.348   2.064  -2.993
   60    H    GLN   8           H        GLN   8   2.965   4.078  -2.096
   61    HA   GLN   8           HA       GLN   8   2.572   4.102   0.956
   62   1HB   GLN   8          1HB       GLN   8   3.762   6.312  -0.839
   63   2HB   GLN   8          2HB       GLN   8   3.333   6.518   0.858
   64   1HG   GLN   8          1HG       GLN   8   4.971   4.765   1.554
   65   2HG   GLN   8          2HG       GLN   8   5.414   4.459  -0.117
   66   1HE2  GLN   8          2HE2      GLN   8   7.591   7.337  -0.264
   67   2HE2  GLN   8          1HE2      GLN   8   6.776   5.971  -1.180
   68    H    GLY   9           H        GLY   9   1.502   5.771  -2.057
   69   1HA   GLY   9          1HA       GLY   9  -1.285   5.736  -1.664
   70   2HA   GLY   9          2HA       GLY   9  -0.811   7.100  -0.646
   71    H    ASP  10           H        ASP  10  -1.386   6.069  -3.848
   72    HA   ASP  10           HA       ASP  10  -1.122   6.896  -5.967
   73   1HB   ASP  10          1HB       ASP  10  -1.800   9.082  -6.523
   74   2HB   ASP  10          2HB       ASP  10  -2.834   8.405  -5.291
   75    H    ASP  11           H        ASP  11   0.833   6.123  -6.338
   76    HA   ASP  11           HA       ASP  11   3.284   7.472  -5.338
   77   1HB   ASP  11          1HB       ASP  11   2.766   4.799  -6.824
   78   2HB   ASP  11          2HB       ASP  11   4.359   5.320  -6.337
   79    H    GLN  12           H        GLN  12   5.224   7.607  -6.565
   80    HA   GLN  12           HA       GLN  12   4.948   9.058  -9.188
   81   1HB   GLN  12          1HB       GLN  12   7.455   8.371  -7.527
   82   2HB   GLN  12          2HB       GLN  12   7.480   9.243  -9.057
   83   1HG   GLN  12          1HG       GLN  12   6.048  11.068  -8.108
   84   2HG   GLN  12          2HG       GLN  12   5.969  10.242  -6.561
   85   1HE2  GLN  12          2HE2      GLN  12   9.262  11.377  -5.582
   86   2HE2  GLN  12          1HE2      GLN  12   7.837  10.282  -5.205
   87    H    GLU  13           H        GLU  13   6.531   5.974  -8.145
   88    HA   GLU  13           HA       GLU  13   6.441   5.045 -11.078
   89   1HB   GLU  13          1HB       GLU  13   8.627   4.378  -8.983
   90   2HB   GLU  13          2HB       GLU  13   8.532   3.690 -10.589
   91   1HG   GLU  13          1HG       GLU  13   9.043   6.668 -10.007
   92   2HG   GLU  13          2HG       GLU  13  10.253   5.469 -10.412
   93    H    LYS  14           H        LYS  14   6.733   2.612 -11.162
   94    HA   LYS  14           HA       LYS  14   4.263   1.448 -10.110
   95   1HB   LYS  14          1HB       LYS  14   5.330   0.932 -12.352
   96   2HB   LYS  14          2HB       LYS  14   6.619   0.048 -11.531
   97   1HG   LYS  14          1HG       LYS  14   4.898  -1.587 -10.635
   98   2HG   LYS  14          2HG       LYS  14   3.620  -0.662 -11.419
   99   1HD   LYS  14          1HD       LYS  14   4.619  -1.139 -13.684
  100   2HD   LYS  14          2HD       LYS  14   5.955  -1.988 -12.920
  101   1HE   LYS  14          2HE       LYS  14   4.428  -3.668 -13.739
  102   2HE   LYS  14          1HE       LYS  14   4.362  -3.715 -11.982
  103   1HZ   LYS  14          3HZ       LYS  14   2.355  -2.385 -13.747
  104   2HZ   LYS  14          2HZ       LYS  14   2.154  -3.825 -12.963
  105   3HZ   LYS  14          1HZ       LYS  14   2.277  -2.424 -12.097
  106    H    CYS  15           H        CYS  15   3.888   0.111  -8.430
  107    HA   CYS  15           HA       CYS  15   6.102  -0.896  -6.629
  108   1HB   CYS  15          1HB       CYS  15   5.294   0.464  -4.674
  109   2HB   CYS  15          2HB       CYS  15   5.865   1.506  -5.991
  110    H    LEU  16           H        LEU  16   5.217  -1.891  -4.681
  111    HA   LEU  16           HA       LEU  16   3.129  -3.930  -5.348
  112   1HB   LEU  16          1HB       LEU  16   4.803  -3.429  -2.812
  113   2HB   LEU  16          2HB       LEU  16   3.683  -4.753  -2.938
  114    HG   LEU  16           HG       LEU  16   6.058  -4.413  -4.868
  115   1HD1  LEU  16          3HD2      LEU  16   6.887  -4.610  -2.524
  116   2HD1  LEU  16          2HD2      LEU  16   5.905  -6.071  -2.265
  117   3HD1  LEU  16          1HD2      LEU  16   7.250  -6.087  -3.438
  118   1HD2  LEU  16          2HD1      LEU  16   4.260  -6.860  -4.252
  119   2HD2  LEU  16          3HD1      LEU  16   4.245  -5.910  -5.757
  120   3HD2  LEU  16          1HD1      LEU  16   5.680  -6.861  -5.330
  121    H    CYS  17           H        CYS  17   1.044  -3.534  -5.058
  122    HA   CYS  17           HA       CYS  17   0.033  -1.557  -2.958
  123   1HB   CYS  17          1HB       CYS  17  -0.697  -1.430  -5.462
  124   2HB   CYS  17          2HB       CYS  17  -1.725  -2.843  -5.119
  125    H    ASN  18           H        ASN  18   0.026  -2.665  -1.121
  126    HA   ASN  18           HA       ASN  18  -0.514  -4.165   0.589
  127   1HB   ASN  18          1HB       ASN  18  -2.806  -4.506  -0.384
  128   2HB   ASN  18          2HB       ASN  18  -2.203  -5.827  -1.353
  129   1HD2  ASN  18          1HD2      ASN  18  -3.527  -7.738   1.342
  130   2HD2  ASN  18          2HD2      ASN  18  -4.074  -6.645  -0.037
  131    H    LYS  19           H        LYS  19  -0.516  -6.616  -1.892
  132    HA   LYS  19           HA       LYS  19   2.484  -6.878  -1.972
  133   1HB   LYS  19          1HB       LYS  19   2.582  -9.274  -1.400
  134   2HB   LYS  19          2HB       LYS  19   2.014  -8.312  -0.058
  135   1HG   LYS  19          1HG       LYS  19  -0.388  -9.038  -0.563
  136   2HG   LYS  19          2HG       LYS  19   0.215 -10.051  -1.873
  137   1HD   LYS  19          2HD       LYS  19   1.613 -11.368  -0.229
  138   2HD   LYS  19          1HD       LYS  19   1.039 -10.337   1.089
  139   1HE   LYS  19          2HE       LYS  19  -1.350 -11.086   0.644
  140   2HE   LYS  19          1HE       LYS  19  -0.781 -12.120  -0.676
  141   1HZ   LYS  19          2HZ       LYS  19   0.563 -13.354   0.950
  142   2HZ   LYS  19          3HZ       LYS  19   0.031 -12.390   2.181
  143   3HZ   LYS  19          1HZ       LYS  19  -1.033 -13.366   1.378
  144    H    ASP  20           H        ASP  20   0.682  -5.982  -3.926
  145    HA   ASP  20           HA       ASP  20   0.979  -8.065  -6.153
  146   1HB   ASP  20          1HB       ASP  20  -1.553  -6.444  -5.386
  147   2HB   ASP  20          2HB       ASP  20  -1.359  -7.315  -6.894
  148    H    GLU  21           H        GLU  21   1.969  -7.181  -7.857
  149    HA   GLU  21           HA       GLU  21   2.875  -4.483  -7.992
  150   1HB   GLU  21          1HB       GLU  21   3.703  -4.985 -10.190
  151   2HB   GLU  21          2HB       GLU  21   4.037  -6.304  -9.087
  152   1HG   GLU  21          1HG       GLU  21   2.174  -7.659 -10.167
  153   2HG   GLU  21          2HG       GLU  21   1.841  -6.324 -11.266
  154    H    CYS  22           H        CYS  22   2.195  -2.658  -8.772
  155    HA   CYS  22           HA       CYS  22  -0.454  -2.430 -10.269
  156   1HB   CYS  22          1HB       CYS  22  -0.863  -2.514  -7.775
  157   2HB   CYS  22          2HB       CYS  22   0.158  -1.067  -7.572
  158    HA   PRO  23           HA       PRO  23   1.960   0.966 -12.167
  159   1HB   PRO  23          1HB       PRO  23  -0.072   2.323 -13.557
  160   2HB   PRO  23          2HB       PRO  23   0.670   0.800 -14.065
  161   1HG   PRO  23          2HG       PRO  23  -1.947   1.185 -12.528
  162   2HG   PRO  23          1HG       PRO  23  -1.655   0.155 -13.950
  163   1HD   PRO  23          1HD       PRO  23  -1.671  -0.868 -11.404
  164   2HD   PRO  23          2HD       PRO  23  -0.530  -1.518 -12.618
  165    HA   PRO  24           HA       PRO  24   1.854   4.278  -9.238
  166   1HB   PRO  24          2HB       PRO  24   2.843   6.515 -10.757
  167   2HB   PRO  24          1HB       PRO  24   3.741   5.270  -9.906
  168   1HG   PRO  24          2HG       PRO  24   3.218   5.526 -12.840
  169   2HG   PRO  24          1HG       PRO  24   4.554   4.729 -12.046
  170   1HD   PRO  24          2HD       PRO  24   2.398   3.349 -13.202
  171   2HD   PRO  24          1HD       PRO  24   3.472   2.674 -11.954
  172    H    GLY  25           H        GLY  25   0.518   5.639  -8.301
  173   1HA   GLY  25          1HA       GLY  25  -1.173   7.485  -8.217
  174   2HA   GLY  25          2HA       GLY  25  -1.637   7.185  -9.860
  175    H    GLN  26           H        GLN  26  -2.173   4.515 -10.003
  176    HA   GLN  26           HA       GLN  26  -4.793   4.322  -8.900
  177   1HB   GLN  26          2HB       GLN  26  -2.937   2.219 -10.208
  178   2HB   GLN  26          1HB       GLN  26  -4.604   1.905  -9.838
  179   1HG   GLN  26          2HG       GLN  26  -4.463   2.417 -12.137
  180   2HG   GLN  26          1HG       GLN  26  -5.438   3.635 -11.348
  181   1HE2  GLN  26          2HE2      GLN  26  -1.951   4.769 -13.253
  182   2HE2  GLN  26          1HE2      GLN  26  -2.278   3.006 -12.859
  183    H    CYS  27           H        CYS  27  -1.945   3.339  -7.107
  184    HA   CYS  27           HA       CYS  27  -3.294   1.193  -5.552
  185   1HB   CYS  27          1HB       CYS  27  -0.820   1.249  -5.796
  186   2HB   CYS  27          2HB       CYS  27  -0.740   2.734  -4.812
  187    NH1  ARG  28           NH1      ARG  28  -5.676   7.817  -6.371
  188    NH2  ARG  28           NH2      ARG  28  -6.725   7.236  -8.303
  189    H    ARG  28           H        ARG  28  -5.012   1.731  -4.450
  190    HA   ARG  28           HA       ARG  28  -5.261   4.341  -2.902
  191   1HB   ARG  28          1HB       ARG  28  -7.395   2.249  -3.652
  192   2HB   ARG  28          2HB       ARG  28  -7.698   3.791  -2.874
  193   1HG   ARG  28          2HG       ARG  28  -6.788   3.310  -5.742
  194   2HG   ARG  28          1HG       ARG  28  -8.344   3.901  -5.193
  195   1HD   ARG  28          1HD       ARG  28  -7.278   6.057  -4.393
  196   2HD   ARG  28          2HD       ARG  28  -5.681   5.449  -4.885
  197    HE   ARG  28           HE       ARG  28  -7.605   5.319  -7.124
  198   1HH1  ARG  28          1HH1      ARG  28  -5.485   7.591  -5.389
  199   2HH1  ARG  28          2HH1      ARG  28  -5.326   8.627  -6.895
  200   1HH2  ARG  28          2HH2      ARG  28  -7.333   6.570  -8.794
  201   2HH2  ARG  28          1HH2      ARG  28  -6.303   8.086  -8.692
  202    H    PHE  29           H        PHE  29  -5.649   4.392  -0.768
  203    HA   PHE  29           HA       PHE  29  -5.209   1.798   0.841
  204   1HB   PHE  29          2HB       PHE  29  -4.131   4.641   1.285
  205   2HB   PHE  29          1HB       PHE  29  -4.140   3.429   2.533
  206    HD1  PHE  29           HD1      PHE  29  -2.853   4.011  -0.987
  207    HD2  PHE  29           HD2      PHE  29  -2.383   1.791   2.674
  208    HE1  PHE  29           HE1      PHE  29  -0.773   3.029  -1.838
  209    HE2  PHE  29           HE2      PHE  29  -0.286   0.839   1.810
  210    HZ   PHE  29           HZ       PHE  29   0.512   1.451  -0.446
  211    HA   PRO  30           HA       PRO  30  -9.286   3.474   2.467
  212   1HB   PRO  30          1HB       PRO  30 -10.633   1.088   2.787
  213   2HB   PRO  30          2HB       PRO  30 -10.438   1.888   1.225
  214   1HG   PRO  30          1HG       PRO  30  -8.756  -0.405   2.355
  215   2HG   PRO  30          2HG       PRO  30  -9.510  -0.310   0.755
  216   1HD   PRO  30          1HD       PRO  30  -6.857   0.335   1.227
  217   2HD   PRO  30          2HD       PRO  30  -7.786   1.176  -0.044
  218    NH1  ARG  31           NH1      ARG  31 -13.917   7.811   8.250
  219    NH2  ARG  31           NH2      ARG  31 -15.653   6.424   7.767
  220    H    ARG  31           H        ARG  31 -10.081   3.572   4.517
  221    HA   ARG  31           HA       ARG  31  -8.074   3.308   6.581
  222   1HB   ARG  31          2HB       ARG  31  -9.554   4.607   7.986
  223   2HB   ARG  31          1HB       ARG  31  -9.541   5.260   6.369
  224   1HG   ARG  31          2HG       ARG  31 -11.804   4.164   5.921
  225   2HG   ARG  31          1HG       ARG  31 -11.803   3.528   7.569
  226   1HD   ARG  31          2HD       ARG  31 -11.703   5.897   8.483
  227   2HD   ARG  31          1HD       ARG  31 -11.712   6.530   6.825
  228    HE   ARG  31           HE       ARG  31 -14.029   4.773   7.135
  229   1HH1  ARG  31          2HH1      ARG  31 -12.901   7.945   8.282
  230   2HH1  ARG  31          1HH1      ARG  31 -14.636   8.495   8.511
  231   1HH2  ARG  31          1HH2      ARG  31 -15.962   5.503   7.435
  232   2HH2  ARG  31          2HH2      ARG  31 -16.251   7.202   8.064
  233    H    GLY  32           H        GLY  32  -8.401   2.640   8.790
  234   1HA   GLY  32          1HA       GLY  32  -9.037   1.193  10.561
  235   2HA   GLY  32          2HA       GLY  32 -10.470   0.781   9.652
  236    H    ASP  33           H        ASP  33 -10.583  -1.289   9.273
  237    HA   ASP  33           HA       ASP  33  -8.084  -3.022   8.785
  238   1HB   ASP  33          2HB       ASP  33  -9.418  -3.628  10.868
  239   2HB   ASP  33          1HB       ASP  33 -10.809  -3.986   9.859
  240    H    ALA  34           H        ALA  34  -8.628  -1.578   6.759
  241    HA   ALA  34           HA       ALA  34  -9.848  -3.541   4.744
  242   1HB   ALA  34          1HB       ALA  34 -11.343  -1.555   4.998
  243   2HB   ALA  34          2HB       ALA  34  -9.994  -0.462   4.588
  244   3HB   ALA  34          3HB       ALA  34 -10.613  -1.619   3.382
  245    H    ASP  35           H        ASP  35  -8.542  -4.124   3.288
  246    HA   ASP  35           HA       ASP  35  -5.660  -3.428   3.422
  247   1HB   ASP  35          1HB       ASP  35  -7.118  -5.477   1.664
  248   2HB   ASP  35          2HB       ASP  35  -5.386  -5.274   1.676
  249    HA   PRO  36           HA       PRO  36  -5.295  -0.625  -0.091
  250   1HB   PRO  36          2HB       PRO  36  -2.653  -1.864  -0.879
  251   2HB   PRO  36          1HB       PRO  36  -3.016  -0.207  -0.389
  252   1HG   PRO  36          2HG       PRO  36  -1.723  -1.964   1.298
  253   2HG   PRO  36          1HG       PRO  36  -2.858  -0.749   1.925
  254   1HD   PRO  36          1HD       PRO  36  -3.427  -3.732   1.486
  255   2HD   PRO  36          2HD       PRO  36  -3.836  -2.717   2.817
  256    OH   TYR  37           OH       TYR  37 -10.770   2.833  -3.494
  257    H    TYR  37           H        TYR  37  -6.229  -0.660  -2.042
  258    HA   TYR  37           HA       TYR  37  -6.178  -3.221  -3.732
  259   1HB   TYR  37          1HB       TYR  37  -8.348  -2.725  -4.577
  260   2HB   TYR  37          2HB       TYR  37  -8.383  -2.813  -2.849
  261    HD1  TYR  37           HD1      TYR  37  -8.798  -0.557  -5.768
  262    HD2  TYR  37           HD2      TYR  37  -8.895  -0.766  -1.478
  263    HE1  TYR  37           HE1      TYR  37  -9.969   1.603  -5.686
  264    HE2  TYR  37           HE2      TYR  37 -10.069   1.384  -1.396
  265    HH   TYR  37           HH       TYR  37 -10.891   3.156  -4.389
  266    H    CYS  38           H        CYS  38  -5.582  -3.160  -5.764
  267    HA   CYS  38           HA       CYS  38  -4.442  -0.654  -7.007
  268   1HB   CYS  38          1HB       CYS  38  -3.254  -2.863  -7.210
  269   2HB   CYS  38          2HB       CYS  38  -4.596  -3.492  -8.201
  270    H    GLU  39           H        GLU  39  -5.660   0.634  -8.195
  271    HA   GLU  39           HA       GLU  39  -8.535  -0.047  -8.733
  272   1HB   GLU  39          2HB       GLU  39  -7.740   2.077  -7.587
  273   2HB   GLU  39          1HB       GLU  39  -7.035   2.622  -9.105
  274   1HG   GLU  39          2HG       GLU  39  -9.371   2.561 -10.157
  275   2HG   GLU  39          1HG       GLU  39 -10.033   2.013  -8.617
   
  Start of MODEL           3
 Raw file had 275 H/Q atoms
  Start of MODEL    3
    1   1H    ALA   1          1H        ALA   1  13.242  -8.001 -15.751
    2   2H    ALA   1          2H        ALA   1  14.605  -8.293 -14.863
    3   3H    ALA   1          3H        ALA   1  13.874  -9.526 -15.683
    4    HA   ALA   1           HA       ALA   1  11.914  -9.414 -14.304
    5   1HB   ALA   1          3HB       ALA   1  13.705 -10.989 -13.640
    6   2HB   ALA   1          1HB       ALA   1  14.539  -9.720 -12.708
    7   3HB   ALA   1          2HB       ALA   1  12.938 -10.302 -12.195
    8    HA   PRO   2           HA       PRO   2  11.927  -5.038 -12.707
    9   1HB   PRO   2          1HB       PRO   2   9.210  -4.646 -12.374
   10   2HB   PRO   2          2HB       PRO   2  10.027  -4.669 -13.939
   11   1HG   PRO   2          2HG       PRO   2   8.491  -6.950 -12.602
   12   2HG   PRO   2          1HG       PRO   2   8.360  -6.383 -14.283
   13   1HD   PRO   2          1HD       PRO   2   9.909  -8.574 -13.566
   14   2HD   PRO   2          2HD       PRO   2  10.383  -7.506 -14.923
   15    NH1  ARG   3           NH1      ARG   3  17.890  -5.718  -4.959
   16    NH2  ARG   3           NH2      ARG   3  16.738  -5.932  -3.011
   17    H    ARG   3           H        ARG   3  12.726  -4.752 -10.755
   18    HA   ARG   3           HA       ARG   3  11.645  -6.139  -8.286
   19   1HB   ARG   3          1HB       ARG   3  14.107  -6.113  -8.793
   20   2HB   ARG   3          2HB       ARG   3  14.135  -4.360  -8.631
   21   1HG   ARG   3          2HG       ARG   3  13.377  -4.595  -6.218
   22   2HG   ARG   3          1HG       ARG   3  13.324  -6.351  -6.413
   23   1HD   ARG   3          2HD       ARG   3  15.813  -6.367  -6.932
   24   2HD   ARG   3          1HD       ARG   3  15.861  -4.605  -6.734
   25    HE   ARG   3           HE       ARG   3  14.719  -5.756  -4.300
   26   1HH1  ARG   3          1HH1      ARG   3  17.853  -5.599  -5.977
   27   2HH1  ARG   3          2HH1      ARG   3  18.733  -5.797  -4.380
   28   1HH2  ARG   3          2HH2      ARG   3  15.827  -5.976  -2.541
   29   2HH2  ARG   3          1HH2      ARG   3  17.662  -5.995  -2.568
   30    H    LEU   4           H        LEU   4   9.737  -5.114  -7.892
   31    HA   LEU   4           HA       LEU   4   9.380  -2.191  -8.148
   32   1HB   LEU   4          1HB       LEU   4   7.413  -4.351  -7.230
   33   2HB   LEU   4          2HB       LEU   4   7.030  -2.678  -7.585
   34    HG   LEU   4           HG       LEU   4   8.036  -4.743  -9.627
   35   1HD1  LEU   4          2HD1      LEU   4   5.687  -5.092  -8.839
   36   2HD1  LEU   4          3HD1      LEU   4   5.273  -3.408  -9.246
   37   3HD1  LEU   4          1HD1      LEU   4   5.715  -4.560 -10.535
   38   1HD2  LEU   4          2HD2      LEU   4   7.204  -1.811 -10.146
   39   2HD2  LEU   4          3HD2      LEU   4   8.839  -2.485 -10.351
   40   3HD2  LEU   4          1HD2      LEU   4   7.520  -3.033 -11.397
   41    HA   PRO   5           HA       PRO   5   9.926  -1.221  -3.594
   42   1HB   PRO   5          1HB       PRO   5   8.322   1.211  -4.585
   43   2HB   PRO   5          2HB       PRO   5   9.726   1.177  -3.495
   44   1HG   PRO   5          2HG       PRO   5  10.078   1.891  -6.081
   45   2HG   PRO   5          1HG       PRO   5  11.251   0.771  -5.341
   46   1HD   PRO   5          1HD       PRO   5   8.893   0.077  -7.181
   47   2HD   PRO   5          2HD       PRO   5  10.572  -0.539  -7.216
   48    H    GLN   6           H        GLN   6   8.339  -0.314  -1.880
   49    HA   GLN   6           HA       GLN   6   5.609  -1.631  -2.107
   50   1HB   GLN   6          1HB       GLN   6   7.158  -2.120  -0.098
   51   2HB   GLN   6          2HB       GLN   6   6.937  -0.450   0.393
   52   1HG   GLN   6          2HG       GLN   6   5.456  -1.842   1.688
   53   2HG   GLN   6          1HG       GLN   6   4.473  -0.825   0.648
   54   1HE2  GLN   6          2HE2      GLN   6   2.710  -3.820  -0.243
   55   2HE2  GLN   6          1HE2      GLN   6   2.687  -2.072   0.314
   56    H    CYS   7           H        CYS   7   3.870  -0.452  -2.215
   57    HA   CYS   7           HA       CYS   7   3.927   2.366  -3.046
   58   1HB   CYS   7          1HB       CYS   7   1.527   0.586  -2.296
   59   2HB   CYS   7          2HB       CYS   7   1.378   2.218  -2.976
   60    H    GLN   8           H        GLN   8   3.259   4.189  -2.054
   61    HA   GLN   8           HA       GLN   8   2.867   4.171   0.993
   62   1HB   GLN   8          1HB       GLN   8   4.066   6.441  -0.703
   63   2HB   GLN   8          2HB       GLN   8   3.838   6.437   1.039
   64   1HG   GLN   8          1HG       GLN   8   5.770   4.642  -0.541
   65   2HG   GLN   8          2HG       GLN   8   6.198   6.042   0.408
   66   1HE2  GLN   8          2HE2      GLN   8   6.134   4.192   3.533
   67   2HE2  GLN   8          1HE2      GLN   8   6.097   5.857   2.759
   68    H    GLY   9           H        GLY   9   1.913   6.194  -1.868
   69   1HA   GLY   9          1HA       GLY   9  -0.916   6.062  -1.415
   70   2HA   GLY   9          2HA       GLY   9  -0.401   7.423  -0.440
   71    H    ASP  10           H        ASP  10  -1.063   6.332  -3.520
   72    HA   ASP  10           HA       ASP  10  -1.092   7.203  -5.699
   73   1HB   ASP  10          1HB       ASP  10  -2.462   8.999  -4.498
   74   2HB   ASP  10          2HB       ASP  10  -1.024  10.013  -4.451
   75    H    ASP  11           H        ASP  11   0.866   6.253  -6.144
   76    HA   ASP  11           HA       ASP  11   3.409   7.482  -5.323
   77   1HB   ASP  11          1HB       ASP  11   2.673   4.844  -6.771
   78   2HB   ASP  11          2HB       ASP  11   4.325   5.282  -6.404
   79    H    GLN  12           H        GLN  12   5.273   7.658  -6.550
   80    HA   GLN  12           HA       GLN  12   4.991   8.948  -9.270
   81   1HB   GLN  12          2HB       GLN  12   7.464   8.508  -7.492
   82   2HB   GLN  12          1HB       GLN  12   7.516   9.275  -9.080
   83   1HG   GLN  12          1HG       GLN  12   5.952  11.092  -8.292
   84   2HG   GLN  12          2HG       GLN  12   5.889  10.358  -6.698
   85   1HE2  GLN  12          2HE2      GLN  12   9.156  12.636  -7.613
   86   2HE2  GLN  12          1HE2      GLN  12   7.837  12.292  -8.843
   87    H    GLU  13           H        GLU  13   6.488   5.948  -7.951
   88    HA   GLU  13           HA       GLU  13   6.929   4.948 -10.830
   89   1HB   GLU  13          1HB       GLU  13   8.342   4.061  -8.219
   90   2HB   GLU  13          2HB       GLU  13   8.519   3.281  -9.764
   91   1HG   GLU  13          2HG       GLU  13  10.442   4.568  -9.611
   92   2HG   GLU  13          1HG       GLU  13   9.447   5.382 -10.802
   93    H    LYS  14           H        LYS  14   6.840   2.537 -10.919
   94    HA   LYS  14           HA       LYS  14   4.124   1.540 -10.138
   95   1HB   LYS  14          1HB       LYS  14   5.207   1.046 -12.394
   96   2HB   LYS  14          2HB       LYS  14   6.410   0.047 -11.576
   97   1HG   LYS  14          2HG       LYS  14   4.500  -1.435 -10.711
   98   2HG   LYS  14          1HG       LYS  14   3.363  -0.422 -11.601
   99   1HD   LYS  14          1HD       LYS  14   4.491  -1.026 -13.769
  100   2HD   LYS  14          2HD       LYS  14   5.654  -2.029 -12.890
  101   1HE   LYS  14          1HE       LYS  14   3.754  -3.482 -12.026
  102   2HE   LYS  14          2HE       LYS  14   2.585  -2.483 -12.900
  103   1HZ   LYS  14          3HZ       LYS  14   3.703  -3.117 -14.982
  104   2HZ   LYS  14          1HZ       LYS  14   4.780  -4.061 -14.158
  105   3HZ   LYS  14          2HZ       LYS  14   3.174  -4.450 -14.161
  106    H    CYS  15           H        CYS  15   3.709   0.186  -8.433
  107    HA   CYS  15           HA       CYS  15   5.933  -0.927  -6.705
  108   1HB   CYS  15          1HB       CYS  15   5.224   0.461  -4.719
  109   2HB   CYS  15          2HB       CYS  15   5.810   1.481  -6.048
  110    H    LEU  16           H        LEU  16   5.094  -1.901  -4.751
  111    HA   LEU  16           HA       LEU  16   2.914  -3.856  -5.353
  112   1HB   LEU  16          1HB       LEU  16   4.713  -3.455  -2.884
  113   2HB   LEU  16          2HB       LEU  16   3.555  -4.750  -2.993
  114    HG   LEU  16           HG       LEU  16   5.854  -4.418  -5.013
  115   1HD1  LEU  16          3HD2      LEU  16   6.783  -4.684  -2.719
  116   2HD1  LEU  16          2HD2      LEU  16   5.785  -6.132  -2.444
  117   3HD1  LEU  16          1HD2      LEU  16   7.073  -6.147  -3.679
  118   1HD2  LEU  16          3HD1      LEU  16   4.028  -6.839  -4.375
  119   2HD2  LEU  16          2HD1      LEU  16   3.969  -5.851  -5.855
  120   3HD2  LEU  16          1HD1      LEU  16   5.399  -6.845  -5.515
  121    H    CYS  17           H        CYS  17   0.868  -3.436  -4.927
  122    HA   CYS  17           HA       CYS  17  -0.006  -1.466  -2.765
  123   1HB   CYS  17          1HB       CYS  17  -0.834  -1.435  -5.283
  124   2HB   CYS  17          2HB       CYS  17  -1.911  -2.761  -4.788
  125    H    ASN  18           H        ASN  18   0.349  -2.701  -0.980
  126    HA   ASN  18           HA       ASN  18   0.084  -4.255   0.719
  127   1HB   ASN  18          1HB       ASN  18  -2.392  -4.254   0.327
  128   2HB   ASN  18          2HB       ASN  18  -2.224  -5.571  -0.817
  129   1HD2  ASN  18          1HD2      ASN  18  -2.596  -7.891   1.858
  130   2HD2  ASN  18          2HD2      ASN  18  -3.064  -7.317   0.179
  131    H    LYS  19           H        LYS  19  -0.674  -6.465  -1.910
  132    HA   LYS  19           HA       LYS  19   2.219  -6.960  -2.477
  133   1HB   LYS  19          1HB       LYS  19   2.260  -9.384  -2.198
  134   2HB   LYS  19          2HB       LYS  19   1.977  -8.574  -0.675
  135   1HG   LYS  19          1HG       LYS  19  -0.529  -9.111  -0.919
  136   2HG   LYS  19          2HG       LYS  19  -0.160 -10.075  -2.333
  137   1HD   LYS  19          2HD       LYS  19   0.969 -10.599   0.507
  138   2HD   LYS  19          1HD       LYS  19  -0.465 -11.335  -0.167
  139   1HE   LYS  19          1HE       LYS  19   1.143 -13.015  -0.449
  140   2HE   LYS  19          2HE       LYS  19   0.980 -12.344  -2.068
  141   1HZ   LYS  19          1HZ       LYS  19   3.159 -11.693  -0.130
  142   2HZ   LYS  19          3HZ       LYS  19   3.297 -12.681  -1.448
  143   3HZ   LYS  19          2HZ       LYS  19   3.034 -11.063  -1.652
  144    H    ASP  20           H        ASP  20   0.385  -5.689  -4.009
  145    HA   ASP  20           HA       ASP  20  -0.026  -7.558  -6.415
  146   1HB   ASP  20          1HB       ASP  20  -1.838  -5.252  -5.421
  147   2HB   ASP  20          2HB       ASP  20  -2.061  -6.154  -6.905
  148    H    GLU  21           H        GLU  21   1.258  -6.930  -8.060
  149    HA   GLU  21           HA       GLU  21   2.681  -4.419  -8.217
  150   1HB   GLU  21          1HB       GLU  21   3.416  -5.125 -10.421
  151   2HB   GLU  21          2HB       GLU  21   3.547  -6.411  -9.237
  152   1HG   GLU  21          1HG       GLU  21   1.493  -7.530 -10.239
  153   2HG   GLU  21          2HG       GLU  21   1.378  -6.241 -11.434
  154    H    CYS  22           H        CYS  22   1.998  -2.511  -8.665
  155    HA   CYS  22           HA       CYS  22  -0.645  -2.064 -10.136
  156   1HB   CYS  22          1HB       CYS  22  -0.760  -2.208  -7.578
  157   2HB   CYS  22          2HB       CYS  22   0.128  -0.665  -7.517
  158    HA   PRO  23           HA       PRO  23   1.707   1.257 -12.227
  159   1HB   PRO  23          1HB       PRO  23  -1.013   2.595 -12.639
  160   2HB   PRO  23          2HB       PRO  23   0.238   2.217 -13.836
  161   1HG   PRO  23          2HG       PRO  23  -1.992   0.670 -13.677
  162   2HG   PRO  23          1HG       PRO  23  -0.406  -0.100 -13.926
  163   1HD   PRO  23          1HD       PRO  23  -1.957   0.158 -11.282
  164   2HD   PRO  23          2HD       PRO  23  -1.172  -1.251 -11.980
  165    HA   PRO  24           HA       PRO  24   2.104   4.760  -9.287
  166   1HB   PRO  24          2HB       PRO  24   2.919   6.873 -10.958
  167   2HB   PRO  24          1HB       PRO  24   3.924   5.530 -10.410
  168   1HG   PRO  24          2HG       PRO  24   2.475   5.791 -13.080
  169   2HG   PRO  24          1HG       PRO  24   4.166   5.310 -12.787
  170   1HD   PRO  24          2HD       PRO  24   2.211   3.431 -13.221
  171   2HD   PRO  24          1HD       PRO  24   3.517   3.106 -12.052
  172    H    GLY  25           H        GLY  25   0.498   5.756  -8.320
  173   1HA   GLY  25          1HA       GLY  25  -1.341   7.463  -8.169
  174   2HA   GLY  25          2HA       GLY  25  -1.726   7.243  -9.858
  175    H    GLN  26           H        GLN  26  -1.913   4.535 -10.122
  176    HA   GLN  26           HA       GLN  26  -4.604   3.976  -9.269
  177   1HB   GLN  26          1HB       GLN  26  -2.383   2.183 -10.417
  178   2HB   GLN  26          2HB       GLN  26  -3.971   1.543 -10.214
  179   1HG   GLN  26          2HG       GLN  26  -3.212   3.922 -12.021
  180   2HG   GLN  26          1HG       GLN  26  -3.510   2.281 -12.534
  181   1HE2  GLN  26          2HE2      GLN  26  -7.072   2.776 -12.662
  182   2HE2  GLN  26          1HE2      GLN  26  -5.649   1.641 -12.895
  183    H    CYS  27           H        CYS  27  -1.818   3.262  -7.261
  184    HA   CYS  27           HA       CYS  27  -3.128   1.044  -5.765
  185   1HB   CYS  27          1HB       CYS  27  -0.688   1.217  -5.805
  186   2HB   CYS  27          2HB       CYS  27  -0.727   2.796  -4.972
  187    NH1  ARG  28           NH1      ARG  28  -6.095   7.115  -6.980
  188    NH2  ARG  28           NH2      ARG  28  -6.846   6.241  -8.938
  189    H    ARG  28           H        ARG  28  -4.818   1.332  -4.546
  190    HA   ARG  28           HA       ARG  28  -5.484   4.009  -3.251
  191   1HB   ARG  28          1HB       ARG  28  -7.310   1.607  -3.889
  192   2HB   ARG  28          2HB       ARG  28  -7.825   3.167  -3.279
  193   1HG   ARG  28          2HG       ARG  28  -6.704   2.553  -6.045
  194   2HG   ARG  28          1HG       ARG  28  -8.353   2.985  -5.638
  195   1HD   ARG  28          2HD       ARG  28  -7.639   5.320  -5.004
  196   2HD   ARG  28          1HD       ARG  28  -5.939   4.895  -5.293
  197    HE   ARG  28           HE       ARG  28  -7.580   4.313  -7.671
  198   1HH1  ARG  28          1HH1      ARG  28  -5.982   6.998  -5.967
  199   2HH1  ARG  28          2HH1      ARG  28  -5.802   7.922  -7.542
  200   1HH2  ARG  28          2HH2      ARG  28  -7.307   5.461  -9.421
  201   2HH2  ARG  28          1HH2      ARG  28  -6.500   7.108  -9.362
  202    H    PHE  29           H        PHE  29  -6.013   4.182  -1.161
  203    HA   PHE  29           HA       PHE  29  -5.251   1.850   0.709
  204   1HB   PHE  29          1HB       PHE  29  -4.568   4.847   0.871
  205   2HB   PHE  29          2HB       PHE  29  -4.407   3.760   2.220
  206    HD1  PHE  29           HD1      PHE  29  -3.129   4.359  -1.281
  207    HD2  PHE  29           HD2      PHE  29  -2.523   2.247   2.422
  208    HE1  PHE  29           HE1      PHE  29  -0.954   3.552  -2.085
  209    HE2  PHE  29           HE2      PHE  29  -0.349   1.449   1.596
  210    HZ   PHE  29           HZ       PHE  29   0.419   2.069  -0.661
  211    HA   PRO  30           HA       PRO  30  -9.487   3.194   2.213
  212   1HB   PRO  30          1HB       PRO  30 -10.616   0.724   2.663
  213   2HB   PRO  30          2HB       PRO  30 -10.463   1.442   1.057
  214   1HG   PRO  30          1HG       PRO  30  -8.660  -0.660   2.327
  215   2HG   PRO  30          2HG       PRO  30  -9.332  -0.664   0.712
  216   1HD   PRO  30          1HD       PRO  30  -6.740   0.210   1.359
  217   2HD   PRO  30          2HD       PRO  30  -7.620   0.818  -0.077
  218    NH1  ARG  31           NH1      ARG  31 -12.491   9.020   7.022
  219    NH2  ARG  31           NH2      ARG  31 -13.945   7.937   5.650
  220    H    ARG  31           H        ARG  31 -10.315   3.356   4.234
  221    HA   ARG  31           HA       ARG  31  -8.326   3.338   6.371
  222   1HB   ARG  31          1HB       ARG  31 -11.287   4.226   6.334
  223   2HB   ARG  31          2HB       ARG  31 -10.210   4.511   7.685
  224   1HG   ARG  31          2HG       ARG  31  -8.649   5.837   6.237
  225   2HG   ARG  31          1HG       ARG  31  -9.731   5.654   4.867
  226   1HD   ARG  31          1HD       ARG  31 -10.489   7.011   7.546
  227   2HD   ARG  31          2HD       ARG  31  -9.919   7.863   6.109
  228    HE   ARG  31           HE       ARG  31 -12.216   6.319   5.258
  229   1HH1  ARG  31          2HH1      ARG  31 -11.555   9.049   7.441
  230   2HH1  ARG  31          1HH1      ARG  31 -13.251   9.694   7.168
  231   1HH2  ARG  31          2HH2      ARG  31 -14.120   7.144   5.022
  232   2HH2  ARG  31          1HH2      ARG  31 -14.603   8.687   5.891
  233    H    GLY  32           H        GLY  32  -8.939   2.904   8.660
  234   1HA   GLY  32          1HA       GLY  32  -9.729   1.592  10.467
  235   2HA   GLY  32          2HA       GLY  32 -10.961   0.937   9.411
  236    H    ASP  33           H        ASP  33 -10.772  -1.152   8.954
  237    HA   ASP  33           HA       ASP  33  -8.048  -2.554   8.945
  238   1HB   ASP  33          2HB       ASP  33  -9.362  -3.155  11.048
  239   2HB   ASP  33          1HB       ASP  33 -10.632  -3.835  10.045
  240    H    ALA  34           H        ALA  34  -8.535  -1.536   6.754
  241    HA   ALA  34           HA       ALA  34  -9.495  -3.821   4.958
  242   1HB   ALA  34          2HB       ALA  34 -10.004  -0.816   4.454
  243   2HB   ALA  34          3HB       ALA  34 -10.387  -2.151   3.337
  244   3HB   ALA  34          1HB       ALA  34 -11.228  -2.037   4.896
  245    H    ASP  35           H        ASP  35  -8.025  -4.430   3.664
  246    HA   ASP  35           HA       ASP  35  -5.297  -3.350   3.784
  247   1HB   ASP  35          1HB       ASP  35  -6.390  -5.700   2.121
  248   2HB   ASP  35          2HB       ASP  35  -4.700  -5.248   2.164
  249    HA   PRO  36           HA       PRO  36  -5.165  -0.721   0.058
  250   1HB   PRO  36          1HB       PRO  36  -2.344  -1.801  -0.378
  251   2HB   PRO  36          2HB       PRO  36  -2.913  -0.123  -0.365
  252   1HG   PRO  36          1HG       PRO  36  -1.632  -1.154   1.811
  253   2HG   PRO  36          2HG       PRO  36  -3.046  -0.100   2.041
  254   1HD   PRO  36          1HD       PRO  36  -2.956  -3.147   2.254
  255   2HD   PRO  36          2HD       PRO  36  -3.797  -1.937   3.266
  256    OH   TYR  37           OH       TYR  37 -10.829   1.764  -3.237
  257    H    TYR  37           H        TYR  37  -5.976  -1.004  -1.899
  258    HA   TYR  37           HA       TYR  37  -5.531  -3.632  -3.428
  259   1HB   TYR  37          1HB       TYR  37  -7.775  -3.505  -4.312
  260   2HB   TYR  37          2HB       TYR  37  -7.794  -3.583  -2.580
  261    HD1  TYR  37           HD1      TYR  37  -8.457  -1.359  -5.511
  262    HD2  TYR  37           HD2      TYR  37  -8.689  -1.694  -1.236
  263    HE1  TYR  37           HE1      TYR  37  -9.833   0.673  -5.425
  264    HE2  TYR  37           HE2      TYR  37 -10.078   0.322  -1.146
  265    HH   TYR  37           HH       TYR  37 -11.059   1.948  -2.323
  266    H    CYS  38           H        CYS  38  -5.153  -3.553  -5.557
  267    HA   CYS  38           HA       CYS  38  -4.301  -0.943  -6.808
  268   1HB   CYS  38          1HB       CYS  38  -2.947  -3.036  -7.151
  269   2HB   CYS  38          2HB       CYS  38  -4.287  -3.745  -8.092
  270    H    GLU  39           H        GLU  39  -5.519   0.193  -8.152
  271    HA   GLU  39           HA       GLU  39  -8.321  -0.617  -8.897
  272   1HB   GLU  39          2HB       GLU  39  -7.695   1.720  -8.122
  273   2HB   GLU  39          1HB       GLU  39  -6.759   1.954  -9.593
  274   1HG   GLU  39          2HG       GLU  39  -8.899   1.625 -10.959
  275   2HG   GLU  39          1HG       GLU  39  -9.802   1.375  -9.466
   
  Start of MODEL           4
 Raw file had 275 H/Q atoms
  Start of MODEL    4
    1   1H    ALA   1          1H        ALA   1  11.596  -9.793 -14.718
    2   2H    ALA   1          2H        ALA   1  12.968 -10.078 -13.844
    3   3H    ALA   1          3H        ALA   1  12.021 -11.341 -14.330
    4    HA   ALA   1           HA       ALA   1  10.200 -10.651 -12.927
    5   1HB   ALA   1          3HB       ALA   1  11.796 -12.270 -11.998
    6   2HB   ALA   1          2HB       ALA   1  12.861 -10.961 -11.414
    7   3HB   ALA   1          1HB       ALA   1  11.231 -11.170 -10.724
    8    HA   PRO   2           HA       PRO   2  10.705  -6.039 -12.429
    9   1HB   PRO   2          1HB       PRO   2   7.870  -6.282 -11.305
   10   2HB   PRO   2          2HB       PRO   2   8.520  -5.124 -12.481
   11   1HG   PRO   2          2HG       PRO   2   7.021  -7.223 -13.342
   12   2HG   PRO   2          1HG       PRO   2   8.478  -6.765 -14.256
   13   1HD   PRO   2          1HD       PRO   2   8.179  -9.054 -12.228
   14   2HD   PRO   2          2HD       PRO   2   8.978  -9.065 -13.827
   15    NH1  ARG   3           NH1      ARG   3  16.455  -9.039  -7.628
   16    NH2  ARG   3           NH2      ARG   3  16.157 -10.686  -9.165
   17    H    ARG   3           H        ARG   3  11.871  -5.256 -10.789
   18    HA   ARG   3           HA       ARG   3  11.523  -6.247  -7.958
   19   1HB   ARG   3          2HB       ARG   3  13.755  -4.547  -9.217
   20   2HB   ARG   3          1HB       ARG   3  13.737  -5.185  -7.594
   21   1HG   ARG   3          1HG       ARG   3  13.887  -6.821 -10.190
   22   2HG   ARG   3          2HG       ARG   3  15.204  -6.490  -9.079
   23   1HD   ARG   3          2HD       ARG   3  14.037  -7.851  -7.264
   24   2HD   ARG   3          1HD       ARG   3  12.709  -8.167  -8.370
   25    HE   ARG   3           HE       ARG   3  14.022  -9.714  -9.654
   26   1HH1  ARG   3          1HH1      ARG   3  16.072  -8.204  -7.170
   27   2HH1  ARG   3          2HH1      ARG   3  17.362  -9.480  -7.444
   28   1HH2  ARG   3          2HH2      ARG   3  15.552 -11.108  -9.879
   29   2HH2  ARG   3          1HH2      ARG   3  17.085 -11.012  -8.875
   30    H    LEU   4           H        LEU   4   9.697  -5.172  -7.343
   31    HA   LEU   4           HA       LEU   4   9.400  -2.229  -7.761
   32   1HB   LEU   4          1HB       LEU   4   7.390  -4.322  -6.784
   33   2HB   LEU   4          2HB       LEU   4   7.055  -2.653  -7.202
   34    HG   LEU   4           HG       LEU   4   7.998  -4.826  -9.156
   35   1HD1  LEU   4          2HD1      LEU   4   5.645  -5.076  -8.345
   36   2HD1  LEU   4          1HD1      LEU   4   5.271  -3.411  -8.856
   37   3HD1  LEU   4          3HD1      LEU   4   5.702  -4.650 -10.069
   38   1HD2  LEU   4          3HD2      LEU   4   7.262  -1.895  -9.799
   39   2HD2  LEU   4          2HD2      LEU   4   8.870  -2.636  -9.980
   40   3HD2  LEU   4          1HD2      LEU   4   7.529  -3.179 -11.000
   41    HA   PRO   5           HA       PRO   5   9.869  -1.227  -3.188
   42   1HB   PRO   5          2HB       PRO   5   8.349   1.223  -4.257
   43   2HB   PRO   5          1HB       PRO   5   9.722   1.174  -3.134
   44   1HG   PRO   5          2HG       PRO   5  10.141   1.859  -5.723
   45   2HG   PRO   5          1HG       PRO   5  11.286   0.736  -4.943
   46   1HD   PRO   5          1HD       PRO   5   8.955   0.038  -6.823
   47   2HD   PRO   5          2HD       PRO   5  10.634  -0.585  -6.829
   48    H    GLN   6           H        GLN   6   8.226  -0.391  -1.523
   49    HA   GLN   6           HA       GLN   6   5.483  -1.619  -1.921
   50   1HB   GLN   6          1HB       GLN   6   6.887  -2.125   0.154
   51   2HB   GLN   6          2HB       GLN   6   6.692  -0.458   0.657
   52   1HG   GLN   6          1HG       GLN   6   5.099  -1.777   1.866
   53   2HG   GLN   6          2HG       GLN   6   4.167  -0.828   0.721
   54   1HE2  GLN   6          2HE2      GLN   6   2.533  -3.937  -0.065
   55   2HE2  GLN   6          1HE2      GLN   6   2.422  -2.179   0.449
   56    H    CYS   7           H        CYS   7   3.728  -0.445  -1.878
   57    HA   CYS   7           HA       CYS   7   3.826   2.232  -3.051
   58   1HB   CYS   7          1HB       CYS   7   1.414   0.618  -2.032
   59   2HB   CYS   7          2HB       CYS   7   1.260   2.166  -2.884
   60    H    GLN   8           H        GLN   8   2.905   4.165  -2.408
   61    HA   GLN   8           HA       GLN   8   2.884   4.750   0.594
   62   1HB   GLN   8          1HB       GLN   8   3.584   7.001   0.159
   63   2HB   GLN   8          2HB       GLN   8   4.672   5.882  -0.640
   64   1HG   GLN   8          2HG       GLN   8   3.354   6.393  -2.854
   65   2HG   GLN   8          1HG       GLN   8   2.549   7.673  -1.976
   66   1HE2  GLN   8          2HE2      GLN   8   6.172   8.517  -3.490
   67   2HE2  GLN   8          1HE2      GLN   8   5.212   7.003  -3.889
   68    H    GLY   9           H        GLY   9   1.076   5.621  -2.383
   69   1HA   GLY   9          1HA       GLY   9  -1.586   5.599  -1.795
   70   2HA   GLY   9          2HA       GLY   9  -1.132   6.893  -0.681
   71    H    ASP  10           H        ASP  10  -1.430   5.967  -4.009
   72    HA   ASP  10           HA       ASP  10  -1.403   7.060  -6.049
   73   1HB   ASP  10          1HB       ASP  10  -2.902   8.791  -4.930
   74   2HB   ASP  10          2HB       ASP  10  -1.480   9.791  -4.642
   75    H    ASP  11           H        ASP  11   0.523   6.249  -6.578
   76    HA   ASP  11           HA       ASP  11   3.039   7.244  -5.346
   77   1HB   ASP  11          1HB       ASP  11   2.283   4.818  -7.116
   78   2HB   ASP  11          2HB       ASP  11   3.946   5.171  -6.728
   79    H    GLN  12           H        GLN  12   4.948   7.586  -6.362
   80    HA   GLN  12           HA       GLN  12   4.991   9.006  -9.029
   81   1HB   GLN  12          1HB       GLN  12   7.263   8.362  -7.040
   82   2HB   GLN  12          2HB       GLN  12   7.490   9.191  -8.577
   83   1HG   GLN  12          1HG       GLN  12   5.953  11.053  -7.858
   84   2HG   GLN  12          2HG       GLN  12   5.694  10.257  -6.314
   85   1HE2  GLN  12          2HE2      GLN  12   9.152  12.385  -6.804
   86   2HE2  GLN  12          1HE2      GLN  12   7.953  12.152  -8.175
   87    H    GLU  13           H        GLU  13   6.269   5.905  -7.691
   88    HA   GLU  13           HA       GLU  13   6.868   4.974 -10.566
   89   1HB   GLU  13          2HB       GLU  13   8.277   4.096  -7.972
   90   2HB   GLU  13          1HB       GLU  13   8.627   3.461  -9.565
   91   1HG   GLU  13          1HG       GLU  13   9.147   6.363  -8.667
   92   2HG   GLU  13          2HG       GLU  13  10.336   5.084  -8.802
   93    H    LYS  14           H        LYS  14   6.927   2.559 -10.695
   94    HA   LYS  14           HA       LYS  14   4.253   1.437  -9.993
   95   1HB   LYS  14          1HB       LYS  14   5.418   0.988 -12.187
   96   2HB   LYS  14          2HB       LYS  14   6.666   0.068 -11.341
   97   1HG   LYS  14          2HG       LYS  14   4.928  -1.594 -10.580
   98   2HG   LYS  14          1HG       LYS  14   3.661  -0.638 -11.338
   99   1HD   LYS  14          2HD       LYS  14   4.703  -0.991 -13.598
  100   2HD   LYS  14          1HD       LYS  14   6.016  -1.920 -12.861
  101   1HE   LYS  14          2HE       LYS  14   4.366  -3.639 -12.029
  102   2HE   LYS  14          1HE       LYS  14   3.021  -2.710 -12.710
  103   1HZ   LYS  14          2HZ       LYS  14   5.260  -3.894 -14.283
  104   2HZ   LYS  14          1HZ       LYS  14   3.720  -4.485 -14.192
  105   3HZ   LYS  14          3HZ       LYS  14   4.005  -3.031 -14.922
  106    H    CYS  15           H        CYS  15   3.790   0.095  -8.320
  107    HA   CYS  15           HA       CYS  15   5.959  -0.872  -6.421
  108   1HB   CYS  15          1HB       CYS  15   5.033   0.488  -4.543
  109   2HB   CYS  15          2HB       CYS  15   5.538   1.553  -5.869
  110    H    LEU  16           H        LEU  16   5.016  -1.865  -4.501
  111    HA   LEU  16           HA       LEU  16   2.966  -3.946  -5.228
  112   1HB   LEU  16          1HB       LEU  16   4.645  -3.491  -2.688
  113   2HB   LEU  16          2HB       LEU  16   3.513  -4.806  -2.836
  114    HG   LEU  16           HG       LEU  16   5.886  -4.448  -4.764
  115   1HD1  LEU  16          1HD1      LEU  16   6.728  -4.690  -2.433
  116   2HD1  LEU  16          3HD1      LEU  16   5.736  -6.147  -2.189
  117   3HD1  LEU  16          2HD1      LEU  16   7.073  -6.156  -3.370
  118   1HD2  LEU  16          3HD2      LEU  16   4.072  -6.894  -4.184
  119   2HD2  LEU  16          1HD2      LEU  16   4.062  -5.920  -5.673
  120   3HD2  LEU  16          2HD2      LEU  16   5.491  -6.888  -5.265
  121    H    CYS  17           H        CYS  17   0.917  -3.416  -5.026
  122    HA   CYS  17           HA       CYS  17  -0.126  -1.581  -2.817
  123   1HB   CYS  17          1HB       CYS  17  -0.765  -1.358  -5.393
  124   2HB   CYS  17          2HB       CYS  17  -1.891  -2.693  -5.058
  125    H    ASN  18           H        ASN  18  -0.384  -2.747  -1.035
  126    HA   ASN  18           HA       ASN  18  -0.873  -4.397   0.531
  127   1HB   ASN  18          1HB       ASN  18  -3.154  -4.643  -0.259
  128   2HB   ASN  18          2HB       ASN  18  -2.667  -5.634  -1.609
  129   1HD2  ASN  18          1HD2      ASN  18  -2.447  -7.680   1.926
  130   2HD2  ASN  18          2HD2      ASN  18  -1.684  -6.021   1.685
  131    H    LYS  19           H        LYS  19  -0.807  -6.618  -2.104
  132    HA   LYS  19           HA       LYS  19   2.131  -7.043  -2.109
  133   1HB   LYS  19          2HB       LYS  19   1.982  -9.584  -1.594
  134   2HB   LYS  19          1HB       LYS  19   2.046  -8.459  -0.267
  135   1HG   LYS  19          2HG       LYS  19  -0.226  -8.750   0.364
  136   2HG   LYS  19          1HG       LYS  19  -0.709  -9.455  -1.157
  137   1HD   LYS  19          2HD       LYS  19   0.728 -11.502  -0.632
  138   2HD   LYS  19          1HD       LYS  19   1.174 -10.796   0.915
  139   1HE   LYS  19          1HE       LYS  19  -1.727 -11.489   0.056
  140   2HE   LYS  19          2HE       LYS  19  -0.686 -12.539   1.014
  141   1HZ   LYS  19          3HZ       LYS  19  -0.616 -10.828   2.750
  142   2HZ   LYS  19          1HZ       LYS  19  -1.600  -9.837   1.866
  143   3HZ   LYS  19          2HZ       LYS  19  -2.171 -11.282   2.426
  144    H    ASP  20           H        ASP  20   0.697  -6.085  -4.052
  145    HA   ASP  20           HA       ASP  20   1.032  -8.124  -6.251
  146   1HB   ASP  20          1HB       ASP  20  -1.414  -8.262  -5.381
  147   2HB   ASP  20          2HB       ASP  20  -1.585  -6.624  -5.999
  148    H    GLU  21           H        GLU  21   1.606  -7.179  -8.139
  149    HA   GLU  21           HA       GLU  21   2.764  -4.508  -8.097
  150   1HB   GLU  21          1HB       GLU  21   3.411  -4.921 -10.409
  151   2HB   GLU  21          2HB       GLU  21   3.768  -6.292  -9.373
  152   1HG   GLU  21          1HG       GLU  21   1.792  -7.542 -10.340
  153   2HG   GLU  21          2HG       GLU  21   1.424  -6.168 -11.381
  154    H    CYS  22           H        CYS  22   2.145  -2.615  -8.798
  155    HA   CYS  22           HA       CYS  22  -0.534  -2.193 -10.197
  156   1HB   CYS  22          1HB       CYS  22  -0.896  -2.291  -7.704
  157   2HB   CYS  22          2HB       CYS  22   0.168  -0.877  -7.512
  158    HA   PRO  23           HA       PRO  23   2.220   0.995 -12.171
  159   1HB   PRO  23          1HB       PRO  23  -0.526   1.998 -13.123
  160   2HB   PRO  23          2HB       PRO  23   0.977   1.835 -14.054
  161   1HG   PRO  23          2HG       PRO  23  -0.923  -0.064 -14.316
  162   2HG   PRO  23          1HG       PRO  23   0.775  -0.575 -14.149
  163   1HD   PRO  23          1HD       PRO  23  -1.398  -0.543 -11.978
  164   2HD   PRO  23          2HD       PRO  23  -0.174  -1.800 -12.352
  165    HA   PRO  24           HA       PRO  24   2.081   4.527  -9.396
  166   1HB   PRO  24          2HB       PRO  24   3.012   6.686 -10.952
  167   2HB   PRO  24          1HB       PRO  24   3.984   5.371 -10.297
  168   1HG   PRO  24          2HG       PRO  24   2.830   5.598 -13.110
  169   2HG   PRO  24          1HG       PRO  24   4.492   5.163 -12.636
  170   1HD   PRO  24          2HD       PRO  24   2.657   3.232 -13.284
  171   2HD   PRO  24          1HD       PRO  24   3.825   2.939 -11.970
  172    H    GLY  25           H        GLY  25   0.573   5.767  -8.562
  173   1HA   GLY  25          1HA       GLY  25  -1.177   7.572  -8.650
  174   2HA   GLY  25          2HA       GLY  25  -1.598   7.125 -10.284
  175    H    GLN  26           H        GLN  26  -1.910   4.387 -10.113
  176    HA   GLN  26           HA       GLN  26  -4.654   4.283  -9.146
  177   1HB   GLN  26          2HB       GLN  26  -2.831   2.045 -10.242
  178   2HB   GLN  26          1HB       GLN  26  -4.539   1.831  -9.923
  179   1HG   GLN  26          2HG       GLN  26  -5.055   3.778 -11.515
  180   2HG   GLN  26          1HG       GLN  26  -3.360   3.811 -11.967
  181   1HE2  GLN  26          2HE2      GLN  26  -3.646   0.681 -13.868
  182   2HE2  GLN  26          1HE2      GLN  26  -2.483   1.635 -12.814
  183    H    CYS  27           H        CYS  27  -1.851   3.368  -7.228
  184    HA   CYS  27           HA       CYS  27  -3.233   1.283  -5.657
  185   1HB   CYS  27          1HB       CYS  27  -0.766   1.363  -5.822
  186   2HB   CYS  27          2HB       CYS  27  -0.725   2.875  -4.878
  187    NH1  ARG  28           NH1      ARG  28  -6.011   7.314  -7.114
  188    NH2  ARG  28           NH2      ARG  28  -7.114   6.420  -8.890
  189    H    ARG  28           H        ARG  28  -4.964   1.746  -4.544
  190    HA   ARG  28           HA       ARG  28  -5.374   4.381  -3.092
  191   1HB   ARG  28          1HB       ARG  28  -7.380   2.100  -3.605
  192   2HB   ARG  28          2HB       ARG  28  -7.746   3.705  -3.002
  193   1HG   ARG  28          2HG       ARG  28  -6.916   2.904  -5.815
  194   2HG   ARG  28          1HG       ARG  28  -8.466   3.523  -5.280
  195   1HD   ARG  28          1HD       ARG  28  -7.444   5.795  -4.824
  196   2HD   ARG  28          2HD       ARG  28  -5.849   5.175  -5.308
  197    HE   ARG  28           HE       ARG  28  -7.868   4.672  -7.408
  198   1HH1  ARG  28          1HH1      ARG  28  -5.772   7.241  -6.119
  199   2HH1  ARG  28          2HH1      ARG  28  -5.713   8.048  -7.766
  200   1HH2  ARG  28          1HH2      ARG  28  -7.714   5.669  -9.250
  201   2HH2  ARG  28          2HH2      ARG  28  -6.741   7.216  -9.420
  202    H    PHE  29           H        PHE  29  -5.746   4.487  -0.929
  203    HA   PHE  29           HA       PHE  29  -5.125   1.986   0.769
  204   1HB   PHE  29          2HB       PHE  29  -4.231   4.901   1.057
  205   2HB   PHE  29          1HB       PHE  29  -4.331   3.863   2.444
  206    HD1  PHE  29           HD1      PHE  29  -2.849   3.698  -1.084
  207    HD2  PHE  29           HD2      PHE  29  -2.391   2.694   3.081
  208    HE1  PHE  29           HE1      PHE  29  -0.634   2.763  -1.542
  209    HE2  PHE  29           HE2      PHE  29  -0.161   1.781   2.598
  210    HZ   PHE  29           HZ       PHE  29   0.716   1.806   0.288
  211    HA   PRO  30           HA       PRO  30  -9.350   3.293   2.355
  212   1HB   PRO  30          1HB       PRO  30 -10.435   0.793   2.766
  213   2HB   PRO  30          2HB       PRO  30 -10.324   1.538   1.168
  214   1HG   PRO  30          1HG       PRO  30  -8.391  -0.488   2.403
  215   2HG   PRO  30          2HG       PRO  30  -9.166  -0.582   0.816
  216   1HD   PRO  30          1HD       PRO  30  -6.608   0.389   1.190
  217   2HD   PRO  30          2HD       PRO  30  -7.647   1.074  -0.093
  218    NH1  ARG  31           NH1      ARG  31 -12.149   9.190   7.308
  219    NH2  ARG  31           NH2      ARG  31 -10.647  10.232   5.955
  220    H    ARG  31           H        ARG  31 -10.221   3.250   4.412
  221    HA   ARG  31           HA       ARG  31  -8.193   3.339   6.499
  222   1HB   ARG  31          1HB       ARG  31 -11.232   3.896   6.586
  223   2HB   ARG  31          2HB       ARG  31 -10.150   4.219   7.928
  224   1HG   ARG  31          2HG       ARG  31  -8.792   5.803   6.531
  225   2HG   ARG  31          1HG       ARG  31  -9.876   5.534   5.163
  226   1HD   ARG  31          2HD       ARG  31 -11.829   6.401   6.528
  227   2HD   ARG  31          1HD       ARG  31 -10.743   6.679   7.903
  228    HE   ARG  31           HE       ARG  31  -9.619   8.087   5.614
  229   1HH1  ARG  31          1HH1      ARG  31 -12.468   8.311   7.730
  230   2HH1  ARG  31          2HH1      ARG  31 -12.566  10.119   7.435
  231   1HH2  ARG  31          1HH2      ARG  31  -9.824  10.151   5.348
  232   2HH2  ARG  31          2HH2      ARG  31 -11.167  11.088   6.175
  233    H    GLY  32           H        GLY  32  -8.450   2.643   8.697
  234   1HA   GLY  32          1HA       GLY  32  -8.936   1.178  10.492
  235   2HA   GLY  32          2HA       GLY  32 -10.321   0.606   9.590
  236    H    ASP  33           H        ASP  33 -10.243  -1.524   9.181
  237    HA   ASP  33           HA       ASP  33  -7.569  -2.989   8.793
  238   1HB   ASP  33          2HB       ASP  33 -10.249  -3.987   9.970
  239   2HB   ASP  33          1HB       ASP  33  -8.975  -5.044   9.435
  240    H    ALA  34           H        ALA  34  -8.231  -1.653   6.684
  241    HA   ALA  34           HA       ALA  34  -9.153  -3.827   4.732
  242   1HB   ALA  34          2HB       ALA  34  -9.721  -0.799   4.495
  243   2HB   ALA  34          1HB       ALA  34 -10.123  -2.048   3.287
  244   3HB   ALA  34          3HB       ALA  34 -10.912  -2.072   4.876
  245    H    ASP  35           H        ASP  35  -7.731  -4.278   3.319
  246    HA   ASP  35           HA       ASP  35  -4.993  -3.100   3.459
  247   1HB   ASP  35          1HB       ASP  35  -5.926  -5.495   1.781
  248   2HB   ASP  35          2HB       ASP  35  -4.285  -4.959   1.977
  249    HA   PRO  36           HA       PRO  36  -5.060  -0.460  -0.117
  250   1HB   PRO  36          1HB       PRO  36  -2.290  -1.365  -0.957
  251   2HB   PRO  36          2HB       PRO  36  -2.880   0.253  -0.570
  252   1HG   PRO  36          2HG       PRO  36  -1.339  -1.156   1.213
  253   2HG   PRO  36          1HG       PRO  36  -2.668  -0.117   1.777
  254   1HD   PRO  36          1HD       PRO  36  -2.704  -3.170   1.517
  255   2HD   PRO  36          2HD       PRO  36  -3.321  -2.140   2.792
  256    OH   TYR  37           OH       TYR  37 -10.821   2.531  -3.386
  257    H    TYR  37           H        TYR  37  -6.154  -0.661  -1.966
  258    HA   TYR  37           HA       TYR  37  -5.853  -3.181  -3.681
  259   1HB   TYR  37          2HB       TYR  37  -8.080  -2.888  -4.486
  260   2HB   TYR  37          1HB       TYR  37  -8.076  -2.965  -2.756
  261    HD1  TYR  37           HD1      TYR  37  -8.709  -0.755  -5.683
  262    HD2  TYR  37           HD2      TYR  37  -8.742  -0.968  -1.394
  263    HE1  TYR  37           HE1      TYR  37  -9.982   1.341  -5.586
  264    HE2  TYR  37           HE2      TYR  37 -10.026   1.119  -1.296
  265    HH   TYR  37           HH       TYR  37 -10.972   2.845  -4.280
  266    H    CYS  38           H        CYS  38  -5.371  -3.061  -5.765
  267    HA   CYS  38           HA       CYS  38  -4.439  -0.482  -7.011
  268   1HB   CYS  38          1HB       CYS  38  -3.236  -2.713  -7.325
  269   2HB   CYS  38          2HB       CYS  38  -4.595  -3.258  -8.341
  270    H    GLU  39           H        GLU  39  -5.681   0.749  -8.272
  271    HA   GLU  39           HA       GLU  39  -8.563   0.307  -8.412
  272   1HB   GLU  39          2HB       GLU  39  -7.331   2.562  -8.164
  273   2HB   GLU  39          1HB       GLU  39  -6.933   2.485  -9.864
  274   1HG   GLU  39          2HG       GLU  39  -8.816   3.937  -9.663
  275   2HG   GLU  39          1HG       GLU  39  -9.451   2.479 -10.398
   
  Start of MODEL           5
 Raw file had 275 H/Q atoms
  Start of MODEL    5
    1   1H    ALA   1          2H        ALA   1  12.407  -9.447 -14.697
    2   2H    ALA   1          1H        ALA   1  13.688  -9.692 -13.684
    3   3H    ALA   1          3H        ALA   1  12.905 -10.984 -14.352
    4    HA   ALA   1           HA       ALA   1  10.884 -10.508 -13.144
    5   1HB   ALA   1          3HB       ALA   1  12.481 -12.092 -12.131
    6   2HB   ALA   1          2HB       ALA   1  13.369 -10.763 -11.339
    7   3HB   ALA   1          1HB       ALA   1  11.692 -11.129 -10.866
    8    HA   PRO   2           HA       PRO   2  10.914  -5.940 -12.207
    9   1HB   PRO   2          1HB       PRO   2   8.085  -6.544 -11.223
   10   2HB   PRO   2          2HB       PRO   2   8.659  -5.234 -12.271
   11   1HG   PRO   2          2HG       PRO   2   7.391  -7.387 -13.355
   12   2HG   PRO   2          1HG       PRO   2   8.805  -6.688 -14.179
   13   1HD   PRO   2          1HD       PRO   2   8.719  -9.211 -12.432
   14   2HD   PRO   2          2HD       PRO   2   9.561  -8.919 -13.983
   15    NH1  ARG   3           NH1      ARG   3  15.772  -8.851 -10.824
   16    NH2  ARG   3           NH2      ARG   3  16.524  -7.044 -11.978
   17    H    ARG   3           H        ARG   3  12.012  -5.289 -10.486
   18    HA   ARG   3           HA       ARG   3  11.457  -6.337  -7.676
   19   1HB   ARG   3          1HB       ARG   3  13.885  -4.982  -8.993
   20   2HB   ARG   3          2HB       ARG   3  13.741  -5.164  -7.261
   21   1HG   ARG   3          2HG       ARG   3  13.682  -7.591  -7.357
   22   2HG   ARG   3          1HG       ARG   3  13.504  -7.624  -9.099
   23   1HD   ARG   3          1HD       ARG   3  16.004  -6.516  -7.661
   24   2HD   ARG   3          2HD       ARG   3  15.848  -8.178  -8.186
   25    HE   ARG   3           HE       ARG   3  16.296  -5.777  -9.955
   26   1HH1  ARG   3          1HH1      ARG   3  15.439  -9.231  -9.931
   27   2HH1  ARG   3          2HH1      ARG   3  15.882  -9.363 -11.706
   28   1HH2  ARG   3          2HH2      ARG   3  16.767  -6.047 -11.968
   29   2HH2  ARG   3          1HH2      ARG   3  16.581  -7.683 -12.779
   30    H    LEU   4           H        LEU   4   9.692  -5.151  -7.175
   31    HA   LEU   4           HA       LEU   4   9.535  -2.226  -7.774
   32   1HB   LEU   4          1HB       LEU   4   7.391  -4.196  -6.839
   33   2HB   LEU   4          2HB       LEU   4   7.143  -2.541  -7.359
   34    HG   LEU   4           HG       LEU   4   8.165  -4.826  -9.139
   35   1HD1  LEU   4          3HD1      LEU   4   5.752  -4.994  -8.463
   36   2HD1  LEU   4          2HD1      LEU   4   5.445  -3.364  -9.112
   37   3HD1  LEU   4          1HD1      LEU   4   5.941  -4.689 -10.202
   38   1HD2  LEU   4          2HD2      LEU   4   9.114  -2.649  -9.970
   39   2HD2  LEU   4          1HD2      LEU   4   7.894  -3.282 -11.079
   40   3HD2  LEU   4          3HD2      LEU   4   7.482  -1.933  -9.995
   41    HA   PRO   5           HA       PRO   5   9.826  -1.002  -3.248
   42   1HB   PRO   5          1HB       PRO   5   8.451   1.436  -4.518
   43   2HB   PRO   5          2HB       PRO   5   9.767   1.405  -3.317
   44   1HG   PRO   5          1HG       PRO   5  10.363   1.930  -5.897
   45   2HG   PRO   5          2HG       PRO   5  11.401   0.784  -5.014
   46   1HD   PRO   5          1HD       PRO   5   9.117   0.115  -6.973
   47   2HD   PRO   5          2HD       PRO   5  10.766  -0.579  -6.883
   48    H    GLN   6           H        GLN   6   8.214  -0.289  -1.641
   49    HA   GLN   6           HA       GLN   6   5.421  -1.355  -2.170
   50   1HB   GLN   6          1HB       GLN   6   6.568  -2.208  -0.201
   51   2HB   GLN   6          2HB       GLN   6   6.835  -0.598   0.447
   52   1HG   GLN   6          2HG       GLN   6   5.046  -1.751   1.648
   53   2HG   GLN   6          1HG       GLN   6   4.436  -0.301   0.878
   54   1HE2  GLN   6          2HE2      GLN   6   3.049  -3.937  -0.560
   55   2HE2  GLN   6          1HE2      GLN   6   4.774  -3.787   0.053
   56    H    CYS   7           H        CYS   7   3.765  -0.133  -2.268
   57    HA   CYS   7           HA       CYS   7   3.946   2.797  -2.768
   58   1HB   CYS   7          1HB       CYS   7   1.739   0.768  -3.091
   59   2HB   CYS   7          2HB       CYS   7   1.222   2.401  -2.685
   60    H    GLN   8           H        GLN   8   3.080   4.442  -1.657
   61    HA   GLN   8           HA       GLN   8   2.264   4.050   1.281
   62   1HB   GLN   8          1HB       GLN   8   3.671   6.473  -0.016
   63   2HB   GLN   8          2HB       GLN   8   3.006   6.451   1.616
   64   1HG   GLN   8          2HG       GLN   8   4.547   4.558   2.262
   65   2HG   GLN   8          1HG       GLN   8   5.240   4.565   0.649
   66   1HE2  GLN   8          2HE2      GLN   8   6.522   7.413   3.287
   67   2HE2  GLN   8          1HE2      GLN   8   5.189   6.224   3.712
   68    H    GLY   9           H        GLY   9   1.550   6.029  -1.661
   69   1HA   GLY   9          1HA       GLY   9  -1.244   5.868  -1.539
   70   2HA   GLY   9          2HA       GLY   9  -0.946   7.228  -0.470
   71    H    ASP  10           H        ASP  10  -1.148   6.202  -3.629
   72    HA   ASP  10           HA       ASP  10  -1.011   7.153  -5.757
   73   1HB   ASP  10          1HB       ASP  10  -2.574   8.825  -4.632
   74   2HB   ASP  10          2HB       ASP  10  -1.204   9.907  -4.404
   75    H    ASP  11           H        ASP  11   1.021   6.331  -6.096
   76    HA   ASP  11           HA       ASP  11   3.474   7.901  -5.321
   77   1HB   ASP  11          1HB       ASP  11   2.988   4.968  -6.181
   78   2HB   ASP  11          2HB       ASP  11   4.578   5.620  -5.875
   79    H    GLN  12           H        GLN  12   5.381   7.792  -6.605
   80    HA   GLN  12           HA       GLN  12   4.969   8.925  -9.330
   81   1HB   GLN  12          1HB       GLN  12   7.569   8.354  -7.771
   82   2HB   GLN  12          2HB       GLN  12   7.504   9.123  -9.354
   83   1HG   GLN  12          1HG       GLN  12   6.113  11.003  -8.444
   84   2HG   GLN  12          2HG       GLN  12   6.146  10.286  -6.842
   85   1HE2  GLN  12          2HE2      GLN  12   9.486  11.505  -6.172
   86   2HE2  GLN  12          1HE2      GLN  12   8.094  10.443  -5.618
   87    H    GLU  13           H        GLU  13   6.533   5.853  -8.189
   88    HA   GLU  13           HA       GLU  13   6.623   4.919 -11.107
   89   1HB   GLU  13          1HB       GLU  13   8.481   3.490 -10.529
   90   2HB   GLU  13          2HB       GLU  13   8.837   5.147 -10.134
   91   1HG   GLU  13          2HG       GLU  13   8.476   4.655  -7.669
   92   2HG   GLU  13          1HG       GLU  13   8.017   2.999  -8.057
   93    H    LYS  14           H        LYS  14   6.750   2.500 -11.196
   94    HA   LYS  14           HA       LYS  14   4.123   1.363 -10.345
   95   1HB   LYS  14          1HB       LYS  14   5.277   0.862 -12.590
   96   2HB   LYS  14          2HB       LYS  14   6.439  -0.139 -11.716
   97   1HG   LYS  14          1HG       LYS  14   4.480  -1.594 -10.895
   98   2HG   LYS  14          2HG       LYS  14   3.382  -0.535 -11.762
   99   1HD   LYS  14          1HD       LYS  14   3.612  -2.423 -13.141
  100   2HD   LYS  14          2HD       LYS  14   4.511  -1.147 -13.955
  101   1HE   LYS  14          2HE       LYS  14   6.691  -2.137 -13.037
  102   2HE   LYS  14          1HE       LYS  14   5.755  -3.392 -12.211
  103   1HZ   LYS  14          2HZ       LYS  14   4.954  -4.149 -14.385
  104   2HZ   LYS  14          3HZ       LYS  14   5.825  -2.978 -15.159
  105   3HZ   LYS  14          1HZ       LYS  14   6.605  -4.174 -14.328
  106    H    CYS  15           H        CYS  15   3.756   0.046  -8.652
  107    HA   CYS  15           HA       CYS  15   6.033  -0.704  -6.743
  108   1HB   CYS  15          1HB       CYS  15   4.892   0.532  -4.938
  109   2HB   CYS  15          2HB       CYS  15   5.074   1.648  -6.301
  110    H    LEU  16           H        LEU  16   5.185  -1.842  -4.845
  111    HA   LEU  16           HA       LEU  16   3.198  -4.048  -5.443
  112   1HB   LEU  16          2HB       LEU  16   4.743  -3.363  -2.864
  113   2HB   LEU  16          1HB       LEU  16   3.682  -4.742  -3.025
  114    HG   LEU  16           HG       LEU  16   6.207  -4.356  -4.743
  115   1HD1  LEU  16          3HD1      LEU  16   6.820  -4.462  -2.333
  116   2HD1  LEU  16          1HD1      LEU  16   5.878  -5.957  -2.123
  117   3HD1  LEU  16          2HD1      LEU  16   7.326  -5.943  -3.167
  118   1HD2  LEU  16          2HD2      LEU  16   4.456  -6.860  -4.239
  119   2HD2  LEU  16          3HD2      LEU  16   4.543  -5.938  -5.760
  120   3HD2  LEU  16          1HD2      LEU  16   5.970  -6.822  -5.183
  121    H    CYS  17           H        CYS  17   1.124  -3.731  -5.078
  122    HA   CYS  17           HA       CYS  17   0.109  -1.695  -3.009
  123   1HB   CYS  17          1HB       CYS  17  -0.609  -1.453  -5.498
  124   2HB   CYS  17          2HB       CYS  17  -1.625  -2.893  -5.237
  125    H    ASN  18           H        ASN  18   0.157  -2.884  -1.236
  126    HA   ASN  18           HA       ASN  18  -0.366  -4.434   0.430
  127   1HB   ASN  18          1HB       ASN  18  -2.682  -4.724  -0.492
  128   2HB   ASN  18          2HB       ASN  18  -2.116  -6.021  -1.518
  129   1HD2  ASN  18          1HD2      ASN  18  -3.413  -7.964   1.175
  130   2HD2  ASN  18          2HD2      ASN  18  -3.980  -6.811  -0.146
  131    H    LYS  19           H        LYS  19  -0.457  -6.833  -2.090
  132    HA   LYS  19           HA       LYS  19   2.552  -7.108  -2.247
  133   1HB   LYS  19          1HB       LYS  19   2.609  -9.519  -1.740
  134   2HB   LYS  19          2HB       LYS  19   2.057  -8.580  -0.376
  135   1HG   LYS  19          1HG       LYS  19  -0.380  -9.268  -0.949
  136   2HG   LYS  19          2HG       LYS  19   0.264 -10.266  -2.239
  137   1HD   LYS  19          2HD       LYS  19  -0.132 -11.752  -0.414
  138   2HD   LYS  19          1HD       LYS  19   1.605 -11.598  -0.552
  139   1HE   LYS  19          1HE       LYS  19   1.054 -11.591   1.806
  140   2HE   LYS  19          2HE       LYS  19   1.609  -9.967   1.424
  141   1HZ   LYS  19          1HZ       LYS  19  -1.246 -10.801   1.679
  142   2HZ   LYS  19          2HZ       LYS  19  -0.385  -9.933   2.790
  143   3HZ   LYS  19          3HZ       LYS  19  -0.743  -9.269   1.320
  144    H    ASP  20           H        ASP  20   0.755  -6.116  -4.172
  145    HA   ASP  20           HA       ASP  20   1.047  -8.131  -6.462
  146   1HB   ASP  20          1HB       ASP  20  -1.468  -6.497  -5.662
  147   2HB   ASP  20          2HB       ASP  20  -1.277  -7.322  -7.197
  148    H    GLU  21           H        GLU  21   1.926  -7.220  -8.240
  149    HA   GLU  21           HA       GLU  21   2.884  -4.531  -8.304
  150   1HB   GLU  21          1HB       GLU  21   3.664  -4.974 -10.553
  151   2HB   GLU  21          2HB       GLU  21   3.956  -6.323  -9.488
  152   1HG   GLU  21          1HG       GLU  21   3.393  -7.393 -11.452
  153   2HG   GLU  21          2HG       GLU  21   1.893  -7.494 -10.559
  154    H    CYS  22           H        CYS  22   2.189  -2.670  -9.001
  155    HA   CYS  22           HA       CYS  22  -0.551  -2.372 -10.314
  156   1HB   CYS  22          1HB       CYS  22  -0.776  -2.524  -7.808
  157   2HB   CYS  22          2HB       CYS  22   0.237  -1.067  -7.642
  158    HA   PRO  23           HA       PRO  23   1.665   1.084 -12.414
  159   1HB   PRO  23          1HB       PRO  23  -1.211   2.165 -12.667
  160   2HB   PRO  23          2HB       PRO  23   0.065   2.115 -13.902
  161   1HG   PRO  23          2HG       PRO  23  -1.880   0.235 -13.940
  162   2HG   PRO  23          1HG       PRO  23  -0.193  -0.274 -14.201
  163   1HD   PRO  23          1HD       PRO  23  -1.850  -0.502 -11.632
  164   2HD   PRO  23          2HD       PRO  23  -0.728  -1.685 -12.379
  165    HA   PRO  24           HA       PRO  24   2.052   4.434  -9.357
  166   1HB   PRO  24          1HB       PRO  24   2.758   6.654 -10.968
  167   2HB   PRO  24          2HB       PRO  24   3.814   5.327 -10.494
  168   1HG   PRO  24          2HG       PRO  24   2.283   5.633 -13.111
  169   2HG   PRO  24          1HG       PRO  24   3.994   5.190 -12.885
  170   1HD   PRO  24          2HD       PRO  24   2.091   3.271 -13.335
  171   2HD   PRO  24          1HD       PRO  24   3.423   2.945 -12.195
  172    H    GLY  25           H        GLY  25   0.704   5.679  -8.281
  173   1HA   GLY  25          1HA       GLY  25  -1.034   7.388  -7.954
  174   2HA   GLY  25          2HA       GLY  25  -1.552   7.269  -9.599
  175    H    GLN  26           H        GLN  26  -1.949   4.504  -9.846
  176    HA   GLN  26           HA       GLN  26  -4.664   4.274  -8.858
  177   1HB   GLN  26          1HB       GLN  26  -2.849   2.110 -10.104
  178   2HB   GLN  26          2HB       GLN  26  -4.568   1.932  -9.891
  179   1HG   GLN  26          2HG       GLN  26  -3.217   4.007 -11.716
  180   2HG   GLN  26          1HG       GLN  26  -3.930   2.495 -12.221
  181   1HE2  GLN  26          2HE2      GLN  26  -7.267   3.873 -12.260
  182   2HE2  GLN  26          1HE2      GLN  26  -6.192   2.402 -12.490
  183    H    CYS  27           H        CYS  27  -1.859   3.259  -7.033
  184    HA   CYS  27           HA       CYS  27  -3.246   1.101  -5.533
  185   1HB   CYS  27          1HB       CYS  27  -0.759   1.215  -5.708
  186   2HB   CYS  27          2HB       CYS  27  -0.745   2.673  -4.682
  187    NH1  ARG  28           NH1      ARG  28  -5.782   7.526  -6.486
  188    NH2  ARG  28           NH2      ARG  28  -6.627   6.806  -8.469
  189    H    ARG  28           H        ARG  28  -4.944   1.526  -4.349
  190    HA   ARG  28           HA       ARG  28  -5.353   4.194  -2.937
  191   1HB   ARG  28          1HB       ARG  28  -7.383   1.981  -3.641
  192   2HB   ARG  28          2HB       ARG  28  -7.764   3.542  -2.944
  193   1HG   ARG  28          2HG       ARG  28  -6.761   2.978  -5.761
  194   2HG   ARG  28          1HG       ARG  28  -8.350   3.541  -5.287
  195   1HD   ARG  28          1HD       ARG  28  -7.403   5.764  -4.564
  196   2HD   ARG  28          2HD       ARG  28  -5.758   5.198  -4.924
  197    HE   ARG  28           HE       ARG  28  -7.485   4.879  -7.282
  198   1HH1  ARG  28          2HH1      ARG  28  -5.663   7.351  -5.482
  199   2HH1  ARG  28          1HH1      ARG  28  -5.437   8.335  -7.014
  200   1HH2  ARG  28          2HH2      ARG  28  -7.149   6.086  -8.981
  201   2HH2  ARG  28          1HH2      ARG  28  -6.222   7.666  -8.858
  202    H    PHE  29           H        PHE  29  -5.943   4.317  -0.820
  203    HA   PHE  29           HA       PHE  29  -5.303   1.862   0.939
  204   1HB   PHE  29          2HB       PHE  29  -4.336   4.768   1.221
  205   2HB   PHE  29          1HB       PHE  29  -4.255   3.601   2.510
  206    HD1  PHE  29           HD1      PHE  29  -3.038   4.210  -1.014
  207    HD2  PHE  29           HD2      PHE  29  -2.466   1.961   2.613
  208    HE1  PHE  29           HE1      PHE  29  -0.983   3.242  -1.930
  209    HE2  PHE  29           HE2      PHE  29  -0.398   1.009   1.679
  210    HZ   PHE  29           HZ       PHE  29   0.323   1.619  -0.604
  211    HA   PRO  30           HA       PRO  30  -9.448   3.524   2.417
  212   1HB   PRO  30          1HB       PRO  30 -10.762   1.097   2.757
  213   2HB   PRO  30          2HB       PRO  30 -10.625   1.948   1.215
  214   1HG   PRO  30          1HG       PRO  30  -8.913  -0.377   2.200
  215   2HG   PRO  30          2HG       PRO  30  -9.675  -0.193   0.633
  216   1HD   PRO  30          1HD       PRO  30  -7.008   0.433   1.109
  217   2HD   PRO  30          2HD       PRO  30  -7.961   1.329  -0.109
  218    NH1  ARG  31           NH1      ARG  31 -14.073   1.530   6.705
  219    NH2  ARG  31           NH2      ARG  31 -16.006   2.722   6.804
  220    H    ARG  31           H        ARG  31 -10.324   3.593   4.425
  221    HA   ARG  31           HA       ARG  31  -8.374   3.510   6.530
  222   1HB   ARG  31          2HB       ARG  31  -9.857   4.832   7.778
  223   2HB   ARG  31          1HB       ARG  31 -10.122   5.304   6.132
  224   1HG   ARG  31          2HG       ARG  31 -11.971   3.528   7.854
  225   2HG   ARG  31          1HG       ARG  31 -12.183   5.237   7.530
  226   1HD   ARG  31          2HD       ARG  31 -12.558   4.780   5.089
  227   2HD   ARG  31          1HD       ARG  31 -12.307   3.059   5.330
  228    HE   ARG  31           HE       ARG  31 -14.747   4.641   6.104
  229   1HH1  ARG  31          2HH1      ARG  31 -13.066   1.529   6.507
  230   2HH1  ARG  31          1HH1      ARG  31 -14.641   0.731   7.007
  231   1HH2  ARG  31          1HH2      ARG  31 -16.475   3.627   6.683
  232   2HH2  ARG  31          2HH2      ARG  31 -16.438   1.840   7.099
  233    H    GLY  32           H        GLY  32  -8.851   2.966   8.807
  234   1HA   GLY  32          1HA       GLY  32  -9.481   1.556  10.603
  235   2HA   GLY  32          2HA       GLY  32 -10.739   0.885   9.588
  236    H    ASP  33           H        ASP  33 -10.478  -1.160   8.988
  237    HA   ASP  33           HA       ASP  33  -7.710  -2.412   8.711
  238   1HB   ASP  33          2HB       ASP  33  -8.735  -3.176  10.922
  239   2HB   ASP  33          1HB       ASP  33 -10.075  -3.889  10.041
  240    H    ALA  34           H        ALA  34  -8.408  -1.410   6.612
  241    HA   ALA  34           HA       ALA  34  -9.654  -3.610   4.878
  242   1HB   ALA  34          2HB       ALA  34  -9.940  -0.566   4.456
  243   2HB   ALA  34          1HB       ALA  34 -10.533  -1.845   3.364
  244   3HB   ALA  34          3HB       ALA  34 -11.221  -1.687   4.993
  245    H    ASP  35           H        ASP  35  -8.348  -4.332   3.495
  246    HA   ASP  35           HA       ASP  35  -5.524  -3.603   3.392
  247   1HB   ASP  35          1HB       ASP  35  -7.068  -5.589   1.632
  248   2HB   ASP  35          2HB       ASP  35  -5.335  -5.414   1.586
  249    HA   PRO  36           HA       PRO  36  -5.471  -0.699   0.014
  250   1HB   PRO  36          1HB       PRO  36  -2.803  -0.558  -0.638
  251   2HB   PRO  36          2HB       PRO  36  -3.490  -0.069   0.916
  252   1HG   PRO  36          2HG       PRO  36  -1.974  -2.597   0.282
  253   2HG   PRO  36          1HG       PRO  36  -1.911  -1.617   1.753
  254   1HD   PRO  36          1HD       PRO  36  -3.487  -4.009   1.387
  255   2HD   PRO  36          2HD       PRO  36  -3.661  -2.887   2.693
  256    OH   TYR  37           OH       TYR  37 -10.853   2.322  -3.337
  257    H    TYR  37           H        TYR  37  -6.363  -0.895  -1.891
  258    HA   TYR  37           HA       TYR  37  -5.867  -3.378  -3.585
  259   1HB   TYR  37          2HB       TYR  37  -8.076  -3.066  -4.525
  260   2HB   TYR  37          1HB       TYR  37  -8.128  -3.193  -2.798
  261    HD1  TYR  37           HD1      TYR  37  -8.618  -0.862  -5.666
  262    HD2  TYR  37           HD2      TYR  37  -8.898  -1.273  -1.398
  263    HE1  TYR  37           HE1      TYR  37  -9.903   1.231  -5.544
  264    HE2  TYR  37           HE2      TYR  37 -10.185   0.802  -1.274
  265    HH   TYR  37           HH       TYR  37 -10.956   2.678  -4.223
  266    H    CYS  38           H        CYS  38  -5.396  -3.312  -5.686
  267    HA   CYS  38           HA       CYS  38  -4.356  -0.771  -6.930
  268   1HB   CYS  38          1HB       CYS  38  -3.134  -2.955  -7.212
  269   2HB   CYS  38          2HB       CYS  38  -4.492  -3.586  -8.180
  270    H    GLU  39           H        GLU  39  -5.616   0.508  -8.073
  271    HA   GLU  39           HA       GLU  39  -8.439  -0.189  -8.786
  272   1HB   GLU  39          1HB       GLU  39  -7.712   2.027  -7.791
  273   2HB   GLU  39          2HB       GLU  39  -6.858   2.416  -9.279
  274   1HG   GLU  39          1HG       GLU  39  -9.087   2.292 -10.537
  275   2HG   GLU  39          2HG       GLU  39  -9.903   1.913  -9.021
   
  Start of MODEL           6
 Raw file had 275 H/Q atoms
  Start of MODEL    6
    1   1H    ALA   1          1H        ALA   1  19.053  -6.238 -10.483
    2   2H    ALA   1          2H        ALA   1  19.148  -6.142  -8.837
    3   3H    ALA   1          3H        ALA   1  19.966  -7.329  -9.644
    4    HA   ALA   1           HA       ALA   1  17.935  -8.388 -10.357
    5   1HB   ALA   1          3HB       ALA   1  18.954  -9.177  -8.266
    6   2HB   ALA   1          2HB       ALA   1  18.077  -7.946  -7.316
    7   3HB   ALA   1          1HB       ALA   1  17.184  -9.245  -8.149
    8    HA   PRO   2           HA       PRO   2  14.768  -4.984 -10.540
    9   1HB   PRO   2          1HB       PRO   2  13.129  -7.174 -11.921
   10   2HB   PRO   2          2HB       PRO   2  13.356  -5.475 -12.386
   11   1HG   PRO   2          2HG       PRO   2  14.766  -7.411 -13.667
   12   2HG   PRO   2          1HG       PRO   2  15.596  -5.906 -13.200
   13   1HD   PRO   2          1HD       PRO   2  15.671  -8.615 -11.754
   14   2HD   PRO   2          2HD       PRO   2  17.016  -7.497 -12.126
   15    NH1  ARG   3           NH1      ARG   3  13.948  -6.959  -0.967
   16    NH2  ARG   3           NH2      ARG   3  11.769  -7.067  -0.325
   17    H    ARG   3           H        ARG   3  13.558  -4.420  -8.858
   18    HA   ARG   3           HA       ARG   3  11.522  -6.278  -7.617
   19   1HB   ARG   3          2HB       ARG   3  13.712  -6.590  -6.375
   20   2HB   ARG   3          1HB       ARG   3  13.753  -4.872  -5.992
   21   1HG   ARG   3          2HG       ARG   3  11.583  -5.116  -4.720
   22   2HG   ARG   3          1HG       ARG   3  11.522  -6.830  -5.151
   23   1HD   ARG   3          2HD       ARG   3  13.695  -7.221  -3.894
   24   2HD   ARG   3          1HD       ARG   3  13.762  -5.497  -3.478
   25    HE   ARG   3           HE       ARG   3  11.178  -6.549  -2.593
   26   1HH1  ARG   3          1HH1      ARG   3  14.167  -7.182   0.011
   27   2HH1  ARG   3          2HH1      ARG   3  14.618  -6.800  -1.727
   28   1HH2  ARG   3          1HH2      ARG   3  10.781  -6.991  -0.591
   29   2HH2  ARG   3          2HH2      ARG   3  12.140  -7.282   0.608
   30    H    LEU   4           H        LEU   4   9.699  -5.180  -7.459
   31    HA   LEU   4           HA       LEU   4   9.447  -2.249  -7.741
   32   1HB   LEU   4          2HB       LEU   4   7.375  -4.358  -6.962
   33   2HB   LEU   4          1HB       LEU   4   7.021  -2.676  -7.307
   34    HG   LEU   4           HG       LEU   4   8.133  -4.716  -9.322
   35   1HD1  LEU   4          1HD1      LEU   4   5.749  -5.087  -8.674
   36   2HD1  LEU   4          2HD1      LEU   4   5.349  -3.396  -9.052
   37   3HD1  LEU   4          3HD1      LEU   4   5.854  -4.508 -10.352
   38   1HD2  LEU   4          3HD2      LEU   4   7.318  -1.777  -9.841
   39   2HD2  LEU   4          2HD2      LEU   4   8.967  -2.436  -9.959
   40   3HD2  LEU   4          1HD2      LEU   4   7.718  -2.977 -11.090
   41    HA   PRO   5           HA       PRO   5   9.758  -1.269  -3.169
   42   1HB   PRO   5          1HB       PRO   5   8.195   1.169  -4.217
   43   2HB   PRO   5          2HB       PRO   5   9.554   1.130  -3.070
   44   1HG   PRO   5          2HG       PRO   5  10.013   1.845  -5.641
   45   2HG   PRO   5          1HG       PRO   5  11.152   0.724  -4.852
   46   1HD   PRO   5          1HD       PRO   5   8.880   0.034  -6.798
   47   2HD   PRO   5          2HD       PRO   5  10.558  -0.587  -6.749
   48    H    GLN   6           H        GLN   6   8.136  -0.462  -1.479
   49    HA   GLN   6           HA       GLN   6   5.390  -1.702  -1.853
   50   1HB   GLN   6          1HB       GLN   6   6.846  -2.255   0.216
   51   2HB   GLN   6          2HB       GLN   6   6.610  -0.595   0.733
   52   1HG   GLN   6          1HG       GLN   6   5.050  -1.996   1.917
   53   2HG   GLN   6          2HG       GLN   6   4.126  -0.966   0.838
   54   1HE2  GLN   6          2HE2      GLN   6   2.422  -3.951  -0.201
   55   2HE2  GLN   6          1HE2      GLN   6   2.366  -2.203   0.352
   56    H    CYS   7           H        CYS   7   3.674  -0.487  -1.991
   57    HA   CYS   7           HA       CYS   7   3.822   2.276  -2.892
   58   1HB   CYS   7          1HB       CYS   7   1.382   0.580  -2.076
   59   2HB   CYS   7          2HB       CYS   7   1.254   2.182  -2.827
   60    H    GLN   8           H        GLN   8   2.953   4.156  -2.090
   61    HA   GLN   8           HA       GLN   8   2.687   4.425   0.961
   62   1HB   GLN   8          1HB       GLN   8   3.667   6.560  -1.030
   63   2HB   GLN   8          2HB       GLN   8   3.443   6.783   0.698
   64   1HG   GLN   8          2HG       GLN   8   5.503   4.913  -0.624
   65   2HG   GLN   8          1HG       GLN   8   5.820   6.480   0.081
   66   1HE2  GLN   8          2HE2      GLN   8   5.934   3.315   2.576
   67   2HE2  GLN   8          1HE2      GLN   8   5.788   3.175   0.751
   68    H    GLY   9           H        GLY   9   1.503   6.053  -2.047
   69   1HA   GLY   9          1HA       GLY   9  -1.264   5.763  -1.725
   70   2HA   GLY   9          2HA       GLY   9  -0.959   7.102  -0.630
   71    H    ASP  10           H        ASP  10  -1.382   6.201  -3.821
   72    HA   ASP  10           HA       ASP  10  -1.167   7.119  -5.945
   73   1HB   ASP  10          1HB       ASP  10  -1.454   9.817  -4.495
   74   2HB   ASP  10          2HB       ASP  10  -1.330   9.627  -6.234
   75    H    ASP  11           H        ASP  11   0.757   6.269  -6.371
   76    HA   ASP  11           HA       ASP  11   3.274   7.426  -5.255
   77   1HB   ASP  11          1HB       ASP  11   2.598   4.837  -6.821
   78   2HB   ASP  11          2HB       ASP  11   4.233   5.262  -6.375
   79    H    GLN  12           H        GLN  12   5.190   7.642  -6.418
   80    HA   GLN  12           HA       GLN  12   5.012   8.965  -9.133
   81   1HB   GLN  12          1HB       GLN  12   7.445   8.445  -7.307
   82   2HB   GLN  12          2HB       GLN  12   7.530   9.213  -8.889
   83   1HG   GLN  12          1HG       GLN  12   5.994  11.065  -8.118
   84   2HG   GLN  12          2HG       GLN  12   5.912  10.336  -6.523
   85   1HE2  GLN  12          2HE2      GLN  12   9.234  12.535  -7.450
   86   2HE2  GLN  12          1HE2      GLN  12   7.913  12.205  -8.682
   87    H    GLU  13           H        GLU  13   6.457   5.951  -7.782
   88    HA   GLU  13           HA       GLU  13   6.890   4.922 -10.650
   89   1HB   GLU  13          2HB       GLU  13   8.287   4.011  -8.064
   90   2HB   GLU  13          1HB       GLU  13   8.591   3.353  -9.658
   91   1HG   GLU  13          2HG       GLU  13   9.249   6.229  -8.772
   92   2HG   GLU  13          1HG       GLU  13  10.380   4.902  -8.937
   93    H    LYS  14           H        LYS  14   6.804   2.537 -10.772
   94    HA   LYS  14           HA       LYS  14   4.139   1.491  -9.958
   95   1HB   LYS  14          1HB       LYS  14   5.202   0.930 -12.163
   96   2HB   LYS  14          2HB       LYS  14   6.481   0.036 -11.338
   97   1HG   LYS  14          1HG       LYS  14   4.727  -1.545 -10.394
   98   2HG   LYS  14          2HG       LYS  14   3.470  -0.671 -11.243
   99   1HD   LYS  14          2HD       LYS  14   5.838  -2.084 -12.629
  100   2HD   LYS  14          1HD       LYS  14   4.283  -2.840 -12.299
  101   1HE   LYS  14          2HE       LYS  14   3.104  -1.094 -13.719
  102   2HE   LYS  14          1HE       LYS  14   4.666  -0.351 -14.096
  103   1HZ   LYS  14          1HZ       LYS  14   5.360  -2.463 -15.106
  104   2HZ   LYS  14          2HZ       LYS  14   3.899  -3.151 -14.761
  105   3HZ   LYS  14          3HZ       LYS  14   3.986  -1.890 -15.824
  106    H    CYS  15           H        CYS  15   3.707   0.200  -8.234
  107    HA   CYS  15           HA       CYS  15   5.897  -0.929  -6.461
  108   1HB   CYS  15          1HB       CYS  15   5.083   0.423  -4.486
  109   2HB   CYS  15          2HB       CYS  15   5.673   1.479  -5.785
  110    H    LEU  16           H        LEU  16   4.984  -1.939  -4.541
  111    HA   LEU  16           HA       LEU  16   2.897  -3.947  -5.287
  112   1HB   LEU  16          2HB       LEU  16   4.544  -3.537  -2.713
  113   2HB   LEU  16          1HB       LEU  16   3.443  -4.870  -2.919
  114    HG   LEU  16           HG       LEU  16   5.846  -4.406  -4.788
  115   1HD1  LEU  16          3HD1      LEU  16   6.643  -4.704  -2.447
  116   2HD1  LEU  16          1HD1      LEU  16   5.683  -6.193  -2.275
  117   3HD1  LEU  16          2HD1      LEU  16   7.045  -6.127  -3.428
  118   1HD2  LEU  16          3HD2      LEU  16   4.085  -6.912  -4.327
  119   2HD2  LEU  16          1HD2      LEU  16   4.069  -5.883  -5.779
  120   3HD2  LEU  16          2HD2      LEU  16   5.519  -6.826  -5.384
  121    H    CYS  17           H        CYS  17   0.831  -3.634  -4.943
  122    HA   CYS  17           HA       CYS  17  -0.223  -1.786  -2.735
  123   1HB   CYS  17          1HB       CYS  17  -0.857  -1.607  -5.356
  124   2HB   CYS  17          2HB       CYS  17  -2.040  -2.862  -4.936
  125    H    ASN  18           H        ASN  18  -0.234  -3.074  -0.997
  126    HA   ASN  18           HA       ASN  18  -0.628  -4.788   0.530
  127   1HB   ASN  18          2HB       ASN  18  -2.953  -5.059  -0.063
  128   2HB   ASN  18          1HB       ASN  18  -2.583  -5.974  -1.502
  129   1HD2  ASN  18          1HD2      ASN  18  -1.984  -8.071   1.976
  130   2HD2  ASN  18          2HD2      ASN  18  -1.496  -6.302   1.774
  131    H    LYS  19           H        LYS  19  -0.737  -6.958  -2.140
  132    HA   LYS  19           HA       LYS  19   2.250  -7.057  -2.466
  133   1HB   LYS  19          2HB       LYS  19   2.556  -9.471  -2.148
  134   2HB   LYS  19          1HB       LYS  19   2.069  -8.676  -0.670
  135   1HG   LYS  19          1HG       LYS  19  -0.317  -9.503  -1.025
  136   2HG   LYS  19          2HG       LYS  19   0.197 -10.387  -2.448
  137   1HD   LYS  19          2HD       LYS  19   1.289 -10.847   0.406
  138   2HD   LYS  19          1HD       LYS  19  -0.015 -11.764  -0.337
  139   1HE   LYS  19          1HE       LYS  19   1.562 -12.571  -2.163
  140   2HE   LYS  19          2HE       LYS  19   2.891 -11.685  -1.402
  141   1HZ   LYS  19          1HZ       LYS  19   1.336 -13.870  -0.107
  142   2HZ   LYS  19          3HZ       LYS  19   2.867 -13.996  -0.715
  143   3HZ   LYS  19          2HZ       LYS  19   2.577 -13.041   0.601
  144    H    ASP  20           H        ASP  20   0.448  -6.042  -4.166
  145    HA   ASP  20           HA       ASP  20   0.504  -7.917  -6.596
  146   1HB   ASP  20          1HB       ASP  20  -1.802  -6.070  -5.650
  147   2HB   ASP  20          2HB       ASP  20  -1.743  -6.892  -7.196
  148    H    GLU  21           H        GLU  21   1.573  -7.002  -8.243
  149    HA   GLU  21           HA       GLU  21   2.700  -4.376  -8.190
  150   1HB   GLU  21          1HB       GLU  21   3.459  -4.775 -10.467
  151   2HB   GLU  21          2HB       GLU  21   3.720  -6.167  -9.429
  152   1HG   GLU  21          1HG       GLU  21   1.772  -7.356 -10.515
  153   2HG   GLU  21          2HG       GLU  21   1.488  -5.963 -11.557
  154    H    CYS  22           H        CYS  22   2.017  -2.468  -8.656
  155    HA   CYS  22           HA       CYS  22  -0.569  -1.981 -10.209
  156   1HB   CYS  22          1HB       CYS  22  -0.943  -2.278  -7.689
  157   2HB   CYS  22          2HB       CYS  22   0.000  -0.787  -7.427
  158    HA   PRO  23           HA       PRO  23   2.179   1.277 -11.747
  159   1HB   PRO  23          1HB       PRO  23   0.515   2.629 -13.489
  160   2HB   PRO  23          2HB       PRO  23   1.021   0.950 -13.745
  161   1HG   PRO  23          2HG       PRO  23  -1.581   1.989 -12.564
  162   2HG   PRO  23          1HG       PRO  23  -1.390   0.733 -13.809
  163   1HD   PRO  23          1HD       PRO  23  -1.764   0.198 -11.080
  164   2HD   PRO  23          2HD       PRO  23  -0.925  -0.924 -12.161
  165    HA   PRO  24           HA       PRO  24   2.095   5.164  -9.438
  166   1HB   PRO  24          1HB       PRO  24   2.056   6.631 -12.167
  167   2HB   PRO  24          2HB       PRO  24   3.067   6.988 -10.759
  168   1HG   PRO  24          2HG       PRO  24   4.090   5.584 -12.841
  169   2HG   PRO  24          1HG       PRO  24   4.481   5.103 -11.180
  170   1HD   PRO  24          2HD       PRO  24   2.572   3.748 -13.100
  171   2HD   PRO  24          1HD       PRO  24   3.602   3.044 -11.836
  172    H    GLY  25           H        GLY  25   0.516   6.155  -8.392
  173   1HA   GLY  25          1HA       GLY  25  -1.480   7.555  -8.102
  174   2HA   GLY  25          2HA       GLY  25  -1.922   7.359  -9.762
  175    H    GLN  26           H        GLN  26  -2.027   4.602 -10.068
  176    HA   GLN  26           HA       GLN  26  -4.690   4.059  -9.048
  177   1HB   GLN  26          2HB       GLN  26  -2.664   2.294 -10.563
  178   2HB   GLN  26          1HB       GLN  26  -4.244   1.722 -10.206
  179   1HG   GLN  26          2HG       GLN  26  -5.270   3.755 -11.397
  180   2HG   GLN  26          1HG       GLN  26  -3.662   4.282 -11.829
  181   1HE2  GLN  26          2HE2      GLN  26  -5.018   0.899 -13.792
  182   2HE2  GLN  26          1HE2      GLN  26  -5.592   1.240 -12.083
  183    H    CYS  27           H        CYS  27  -1.786   3.292  -7.267
  184    HA   CYS  27           HA       CYS  27  -3.084   1.043  -5.760
  185   1HB   CYS  27          1HB       CYS  27  -0.655   1.114  -5.879
  186   2HB   CYS  27          2HB       CYS  27  -0.600   2.666  -4.993
  187    NH1  ARG  28           NH1      ARG  28  -6.663   7.853  -6.485
  188    NH2  ARG  28           NH2      ARG  28  -6.824   7.079  -8.616
  189    H    ARG  28           H        ARG  28  -4.841   1.483  -4.703
  190    HA   ARG  28           HA       ARG  28  -5.334   4.132  -3.291
  191   1HB   ARG  28          1HB       ARG  28  -7.251   1.872  -4.146
  192   2HB   ARG  28          2HB       ARG  28  -7.745   3.384  -3.405
  193   1HG   ARG  28          1HG       ARG  28  -6.478   3.060  -6.169
  194   2HG   ARG  28          2HG       ARG  28  -8.171   3.352  -5.822
  195   1HD   ARG  28          1HD       ARG  28  -7.664   5.626  -4.899
  196   2HD   ARG  28          2HD       ARG  28  -5.919   5.353  -5.102
  197    HE   ARG  28           HE       ARG  28  -7.136   4.873  -7.672
  198   1HH1  ARG  28          1HH1      ARG  28  -6.665   7.633  -5.483
  199   2HH1  ARG  28          2HH1      ARG  28  -6.552   8.779  -6.911
  200   1HH2  ARG  28          1HH2      ARG  28  -6.948   6.275  -9.240
  201   2HH2  ARG  28          2HH2      ARG  28  -6.702   8.059  -8.894
  202    H    PHE  29           H        PHE  29  -5.984   4.251  -1.216
  203    HA   PHE  29           HA       PHE  29  -5.294   1.844   0.575
  204   1HB   PHE  29          1HB       PHE  29  -4.591   4.829   0.795
  205   2HB   PHE  29          2HB       PHE  29  -4.560   3.782   2.181
  206    HD1  PHE  29           HD1      PHE  29  -3.119   3.974  -1.340
  207    HD2  PHE  29           HD2      PHE  29  -2.610   2.514   2.680
  208    HE1  PHE  29           HE1      PHE  29  -0.917   3.082  -1.933
  209    HE2  PHE  29           HE2      PHE  29  -0.391   1.652   2.069
  210    HZ   PHE  29           HZ       PHE  29   0.432   1.886  -0.243
  211    HA   PRO  30           HA       PRO  30  -9.646   2.735   2.074
  212   1HB   PRO  30          1HB       PRO  30  -8.994   0.110   3.498
  213   2HB   PRO  30          2HB       PRO  30 -10.510   0.595   2.709
  214   1HG   PRO  30          1HG       PRO  30  -8.832  -1.127   1.442
  215   2HG   PRO  30          2HG       PRO  30  -9.627   0.169   0.537
  216   1HD   PRO  30          1HD       PRO  30  -6.747   0.088   1.575
  217   2HD   PRO  30          2HD       PRO  30  -7.360   0.658   0.002
  218    NH1  ARG  31           NH1      ARG  31 -13.873   5.529   8.323
  219    NH2  ARG  31           NH2      ARG  31 -12.920   7.108   9.648
  220    H    ARG  31           H        ARG  31 -10.618   2.763   4.221
  221    HA   ARG  31           HA       ARG  31  -8.827   3.906   6.346
  222   1HB   ARG  31          1HB       ARG  31 -11.902   3.660   6.160
  223   2HB   ARG  31          2HB       ARG  31 -11.060   4.348   7.534
  224   1HG   ARG  31          1HG       ARG  31 -10.031   6.134   6.060
  225   2HG   ARG  31          2HG       ARG  31 -10.891   5.470   4.681
  226   1HD   ARG  31          2HD       ARG  31 -12.164   7.347   5.405
  227   2HD   ARG  31          1HD       ARG  31 -13.119   5.941   5.810
  228    HE   ARG  31           HE       ARG  31 -11.610   7.772   7.757
  229   1HH1  ARG  31          2HH1      ARG  31 -13.925   5.095   7.395
  230   2HH1  ARG  31          1HH1      ARG  31 -14.417   5.271   9.154
  231   1HH2  ARG  31          2HH2      ARG  31 -12.248   7.878   9.735
  232   2HH2  ARG  31          1HH2      ARG  31 -13.531   6.739  10.385
  233    H    GLY  32           H        GLY  32  -9.094   3.275   8.571
  234   1HA   GLY  32          1HA       GLY  32  -9.337   1.821  10.425
  235   2HA   GLY  32          2HA       GLY  32 -10.500   0.910   9.490
  236    H    ASP  33           H        ASP  33  -9.915  -1.097   8.952
  237    HA   ASP  33           HA       ASP  33  -7.006  -1.850   8.512
  238   1HB   ASP  33          2HB       ASP  33  -7.606  -2.432  10.934
  239   2HB   ASP  33          1HB       ASP  33  -8.826  -3.546  10.345
  240    H    ALA  34           H        ALA  34  -8.114  -1.389   6.396
  241    HA   ALA  34           HA       ALA  34  -8.674  -4.152   5.214
  242   1HB   ALA  34          3HB       ALA  34 -10.082  -1.550   4.344
  243   2HB   ALA  34          2HB       ALA  34 -10.072  -3.059   3.400
  244   3HB   ALA  34          1HB       ALA  34 -10.819  -3.019   5.011
  245    H    ASP  35           H        ASP  35  -7.293  -4.662   3.794
  246    HA   ASP  35           HA       ASP  35  -4.830  -3.187   3.575
  247   1HB   ASP  35          1HB       ASP  35  -5.650  -5.768   2.097
  248   2HB   ASP  35          2HB       ASP  35  -4.032  -5.106   2.072
  249    HA   PRO  36           HA       PRO  36  -5.107  -0.711  -0.115
  250   1HB   PRO  36          2HB       PRO  36  -2.303  -1.565  -0.967
  251   2HB   PRO  36          1HB       PRO  36  -2.959   0.064  -0.730
  252   1HG   PRO  36          2HG       PRO  36  -1.348  -1.053   1.163
  253   2HG   PRO  36          1HG       PRO  36  -2.776  -0.115   1.662
  254   1HD   PRO  36          1HD       PRO  36  -2.510  -3.158   1.557
  255   2HD   PRO  36          2HD       PRO  36  -3.213  -2.101   2.813
  256    OH   TYR  37           OH       TYR  37 -10.580   2.350  -3.557
  257    H    TYR  37           H        TYR  37  -5.992  -0.862  -2.067
  258    HA   TYR  37           HA       TYR  37  -5.749  -3.460  -3.684
  259   1HB   TYR  37          1HB       TYR  37  -7.995  -3.192  -4.456
  260   2HB   TYR  37          2HB       TYR  37  -7.980  -3.203  -2.722
  261    HD1  TYR  37           HD2      TYR  37  -8.519  -1.078  -1.431
  262    HD2  TYR  37           HD1      TYR  37  -8.689  -1.154  -5.723
  263    HE1  TYR  37           HE2      TYR  37  -9.714   1.059  -1.419
  264    HE2  TYR  37           HE1      TYR  37  -9.884   0.991  -5.709
  265    HH   TYR  37           HH       TYR  37 -10.688   2.643  -2.649
  266    H    CYS  38           H        CYS  38  -5.308  -3.351  -5.799
  267    HA   CYS  38           HA       CYS  38  -4.403  -0.763  -7.044
  268   1HB   CYS  38          1HB       CYS  38  -3.200  -2.987  -7.417
  269   2HB   CYS  38          2HB       CYS  38  -4.571  -3.511  -8.431
  270    H    GLU  39           H        GLU  39  -5.452   0.285  -8.739
  271    HA   GLU  39           HA       GLU  39  -8.426   0.065  -8.645
  272   1HB   GLU  39          2HB       GLU  39  -7.141   2.235  -8.531
  273   2HB   GLU  39          1HB       GLU  39  -6.651   2.038 -10.210
  274   1HG   GLU  39          1HG       GLU  39  -9.070   2.154 -10.932
  275   2HG   GLU  39          2HG       GLU  39  -9.584   2.234  -9.249
   
  Start of MODEL           7
 Raw file had 275 H/Q atoms
  Start of MODEL    7
    1   1H    ALA   1          3H        ALA   1  14.447  -9.327 -14.005
    2   2H    ALA   1          1H        ALA   1  15.100 -10.193 -12.759
    3   3H    ALA   1          2H        ALA   1  14.261 -10.967 -13.953
    4    HA   ALA   1           HA       ALA   1  12.200  -9.914 -13.327
    5   1HB   ALA   1          2HB       ALA   1  12.718 -12.119 -12.329
    6   2HB   ALA   1          3HB       ALA   1  13.614 -11.357 -10.991
    7   3HB   ALA   1          1HB       ALA   1  11.859 -11.110 -11.150
    8    HA   PRO   2           HA       PRO   2  13.548  -5.999 -11.178
    9   1HB   PRO   2          1HB       PRO   2  11.387  -4.373 -11.769
   10   2HB   PRO   2          2HB       PRO   2  12.626  -4.830 -12.944
   11   1HG   PRO   2          2HG       PRO   2   9.867  -6.092 -12.560
   12   2HG   PRO   2          1HG       PRO   2  10.632  -5.579 -14.083
   13   1HD   PRO   2          1HD       PRO   2  10.668  -8.214 -13.211
   14   2HD   PRO   2          2HD       PRO   2  12.029  -7.531 -14.153
   15    NH1  ARG   3           NH1      ARG   3  10.702  -3.954  -2.005
   16    NH2  ARG   3           NH2      ARG   3  10.821  -5.819  -0.712
   17    H    ARG   3           H        ARG   3  13.457  -5.598  -9.067
   18    HA   ARG   3           HA       ARG   3  11.235  -6.644  -7.340
   19   1HB   ARG   3          1HB       ARG   3  13.750  -6.907  -6.846
   20   2HB   ARG   3          2HB       ARG   3  13.806  -5.215  -6.408
   21   1HG   ARG   3          1HG       ARG   3  11.997  -7.366  -5.115
   22   2HG   ARG   3          2HG       ARG   3  13.591  -6.914  -4.529
   23   1HD   ARG   3          1HD       ARG   3  12.786  -4.559  -4.056
   24   2HD   ARG   3          2HD       ARG   3  11.168  -5.005  -4.623
   25    HE   ARG   3           HE       ARG   3  11.962  -6.890  -2.533
   26   1HH1  ARG   3          1HH1      ARG   3  10.921  -3.509  -2.903
   27   2HH1  ARG   3          2HH1      ARG   3  10.218  -3.526  -1.208
   28   1HH2  ARG   3          2HH2      ARG   3  11.128  -6.794  -0.620
   29   2HH2  ARG   3          1HH2      ARG   3  10.328  -5.260  -0.007
   30    H    LEU   4           H        LEU   4   9.521  -5.379  -7.410
   31    HA   LEU   4           HA       LEU   4   9.475  -2.458  -7.715
   32   1HB   LEU   4          1HB       LEU   4   7.238  -4.373  -6.861
   33   2HB   LEU   4          2HB       LEU   4   7.043  -2.684  -7.283
   34    HG   LEU   4           HG       LEU   4   7.973  -4.885  -9.211
   35   1HD1  LEU   4          2HD1      LEU   4   5.571  -5.041  -8.544
   36   2HD1  LEU   4          1HD1      LEU   4   5.303  -3.339  -8.988
   37   3HD1  LEU   4          3HD1      LEU   4   5.717  -4.538 -10.243
   38   1HD2  LEU   4          3HD2      LEU   4   7.424  -1.902  -9.821
   39   2HD2  LEU   4          2HD2      LEU   4   8.995  -2.729  -9.945
   40   3HD2  LEU   4          1HD2      LEU   4   7.676  -3.172 -11.041
   41    HA   PRO   5           HA       PRO   5   9.870  -1.341  -3.166
   42   1HB   PRO   5          1HB       PRO   5   8.512   1.162  -4.333
   43   2HB   PRO   5          2HB       PRO   5   9.852   1.069  -3.165
   44   1HG   PRO   5          2HG       PRO   5  10.398   1.640  -5.748
   45   2HG   PRO   5          1HG       PRO   5  11.432   0.456  -4.911
   46   1HD   PRO   5          1HD       PRO   5   9.114  -0.114  -6.850
   47   2HD   PRO   5          2HD       PRO   5  10.738  -0.864  -6.777
   48    H    GLN   6           H        GLN   6   8.286  -0.480  -1.460
   49    HA   GLN   6           HA       GLN   6   5.536  -1.592  -1.804
   50   1HB   GLN   6          1HB       GLN   6   7.254  -1.210   0.445
   51   2HB   GLN   6          2HB       GLN   6   6.082   0.026   0.684
   52   1HG   GLN   6          2HG       GLN   6   5.645  -3.007   0.376
   53   2HG   GLN   6          1HG       GLN   6   5.553  -2.089   1.864
   54   1HE2  GLN   6          2HE2      GLN   6   2.099  -2.734   0.102
   55   2HE2  GLN   6          1HE2      GLN   6   3.620  -3.756   0.100
   56    H    CYS   7           H        CYS   7   3.759  -0.391  -1.702
   57    HA   CYS   7           HA       CYS   7   3.806   2.244  -3.133
   58   1HB   CYS   7          1HB       CYS   7   1.442   0.547  -2.146
   59   2HB   CYS   7          2HB       CYS   7   1.245   2.092  -2.992
   60    H    GLN   8           H        GLN   8   2.705   4.112  -2.490
   61    HA   GLN   8           HA       GLN   8   2.571   4.676   0.518
   62   1HB   GLN   8          1HB       GLN   8   3.165   6.969   0.135
   63   2HB   GLN   8          2HB       GLN   8   4.347   5.937  -0.648
   64   1HG   GLN   8          1HG       GLN   8   3.050   6.396  -2.894
   65   2HG   GLN   8          2HG       GLN   8   2.138   7.600  -2.016
   66   1HE2  GLN   8          2HE2      GLN   8   5.881   8.582  -3.271
   67   2HE2  GLN   8          1HE2      GLN   8   5.132   6.935  -3.587
   68    H    GLY   9           H        GLY   9   0.770   5.104  -2.514
   69   1HA   GLY   9          1HA       GLY   9  -1.838   5.206  -2.209
   70   2HA   GLY   9          2HA       GLY   9  -1.561   6.431  -0.976
   71    H    ASP  10           H        ASP  10  -1.527   5.743  -4.360
   72    HA   ASP  10           HA       ASP  10  -1.385   6.983  -6.315
   73   1HB   ASP  10          1HB       ASP  10  -2.953   8.628  -5.132
   74   2HB   ASP  10          2HB       ASP  10  -1.549   9.614  -4.734
   75    H    ASP  11           H        ASP  11   0.595   6.199  -6.753
   76    HA   ASP  11           HA       ASP  11   3.041   7.239  -5.380
   77   1HB   ASP  11          2HB       ASP  11   2.402   4.795  -7.165
   78   2HB   ASP  11          1HB       ASP  11   4.050   5.190  -6.743
   79    H    GLN  12           H        GLN  12   5.029   7.497  -6.409
   80    HA   GLN  12           HA       GLN  12   5.054   9.033  -9.009
   81   1HB   GLN  12          2HB       GLN  12   7.369   8.261  -7.137
   82   2HB   GLN  12          1HB       GLN  12   7.544   9.247  -8.581
   83   1HG   GLN  12          1HG       GLN  12   5.912  10.011  -6.072
   84   2HG   GLN  12          2HG       GLN  12   7.517  10.568  -6.472
   85   1HE2  GLN  12          2HE2      GLN  12   4.394  12.561  -8.136
   86   2HE2  GLN  12          1HE2      GLN  12   4.177  11.166  -6.961
   87    H    GLU  13           H        GLU  13   6.394   5.865  -7.834
   88    HA   GLU  13           HA       GLU  13   6.624   4.992 -10.757
   89   1HB   GLU  13          1HB       GLU  13   8.557   3.618 -10.174
   90   2HB   GLU  13          2HB       GLU  13   8.854   5.306  -9.893
   91   1HG   GLU  13          1HG       GLU  13   8.603   4.944  -7.387
   92   2HG   GLU  13          2HG       GLU  13   8.188   3.255  -7.665
   93    H    LYS  14           H        LYS  14   6.616   2.714 -11.047
   94    HA   LYS  14           HA       LYS  14   4.253   1.406 -10.079
   95   1HB   LYS  14          1HB       LYS  14   5.374   0.939 -12.265
   96   2HB   LYS  14          2HB       LYS  14   6.670   0.064 -11.440
   97   1HG   LYS  14          1HG       LYS  14   5.038  -1.652 -10.634
   98   2HG   LYS  14          2HG       LYS  14   3.692  -0.735 -11.289
   99   1HD   LYS  14          2HD       LYS  14   4.636  -1.020 -13.627
  100   2HD   LYS  14          1HD       LYS  14   5.964  -1.980 -12.958
  101   1HE   LYS  14          2HE       LYS  14   4.285  -3.671 -12.061
  102   2HE   LYS  14          1HE       LYS  14   2.956  -2.707 -12.722
  103   1HZ   LYS  14          1HZ       LYS  14   5.138  -3.948 -14.331
  104   2HZ   LYS  14          3HZ       LYS  14   3.584  -4.495 -14.219
  105   3HZ   LYS  14          2HZ       LYS  14   3.899  -3.047 -14.950
  106    H    CYS  15           H        CYS  15   3.845   0.026  -8.403
  107    HA   CYS  15           HA       CYS  15   6.031  -0.871  -6.494
  108   1HB   CYS  15          1HB       CYS  15   5.086   0.498  -4.625
  109   2HB   CYS  15          2HB       CYS  15   5.587   1.555  -5.960
  110    H    LEU  16           H        LEU  16   5.090  -1.861  -4.551
  111    HA   LEU  16           HA       LEU  16   3.006  -3.926  -5.267
  112   1HB   LEU  16          1HB       LEU  16   4.722  -3.546  -2.729
  113   2HB   LEU  16          2HB       LEU  16   3.593  -4.863  -2.942
  114    HG   LEU  16           HG       LEU  16   6.033  -4.379  -4.748
  115   1HD1  LEU  16          1HD2      LEU  16   6.721  -4.908  -2.415
  116   2HD1  LEU  16          3HD2      LEU  16   5.691  -6.360  -2.406
  117   3HD1  LEU  16          2HD2      LEU  16   7.099  -6.262  -3.497
  118   1HD2  LEU  16          2HD1      LEU  16   4.124  -6.818  -4.567
  119   2HD2  LEU  16          3HD1      LEU  16   4.265  -5.699  -5.945
  120   3HD2  LEU  16          1HD1      LEU  16   5.625  -6.756  -5.530
  121    H    CYS  17           H        CYS  17   0.967  -3.360  -4.989
  122    HA   CYS  17           HA       CYS  17   0.030  -1.442  -2.820
  123   1HB   CYS  17          1HB       CYS  17  -0.710  -1.361  -5.333
  124   2HB   CYS  17          2HB       CYS  17  -1.753  -2.750  -4.953
  125    H    ASN  18           H        ASN  18   0.226  -2.628  -0.992
  126    HA   ASN  18           HA       ASN  18  -0.087  -4.197   0.694
  127   1HB   ASN  18          1HB       ASN  18  -2.529  -4.224   0.208
  128   2HB   ASN  18          2HB       ASN  18  -2.312  -5.475  -0.991
  129   1HD2  ASN  18          1HD2      ASN  18  -2.718  -8.006   1.451
  130   2HD2  ASN  18          2HD2      ASN  18  -3.177  -7.261  -0.162
  131    H    LYS  19           H        LYS  19  -0.682  -6.375  -1.985
  132    HA   LYS  19           HA       LYS  19   2.176  -7.046  -2.367
  133   1HB   LYS  19          1HB       LYS  19   1.968  -9.540  -2.028
  134   2HB   LYS  19          2HB       LYS  19   2.026  -8.583  -0.570
  135   1HG   LYS  19          2HG       LYS  19  -0.347  -8.887  -0.101
  136   2HG   LYS  19          1HG       LYS  19  -0.670  -9.592  -1.673
  137   1HD   LYS  19          1HD       LYS  19   0.826 -11.565  -1.081
  138   2HD   LYS  19          2HD       LYS  19   1.144 -10.837   0.499
  139   1HE   LYS  19          1HE       LYS  19  -1.340 -10.953   1.051
  140   2HE   LYS  19          2HE       LYS  19  -1.656 -11.684  -0.529
  141   1HZ   LYS  19          2HZ       LYS  19  -0.212 -13.548   0.112
  142   2HZ   LYS  19          1HZ       LYS  19   0.076 -12.866   1.589
  143   3HZ   LYS  19          3HZ       LYS  19  -1.449 -13.363   1.192
  144    H    ASP  20           H        ASP  20   0.552  -5.784  -4.036
  145    HA   ASP  20           HA       ASP  20   0.134  -7.741  -6.355
  146   1HB   ASP  20          1HB       ASP  20  -1.749  -5.445  -5.447
  147   2HB   ASP  20          2HB       ASP  20  -1.902  -6.344  -6.942
  148    H    GLU  21           H        GLU  21   1.354  -7.089  -8.051
  149    HA   GLU  21           HA       GLU  21   2.793  -4.585  -8.177
  150   1HB   GLU  21          1HB       GLU  21   3.476  -5.284 -10.450
  151   2HB   GLU  21          2HB       GLU  21   3.678  -6.508  -9.228
  152   1HG   GLU  21          1HG       GLU  21   3.025  -7.709 -11.115
  153   2HG   GLU  21          2HG       GLU  21   1.587  -7.707 -10.121
  154    H    CYS  22           H        CYS  22   2.235  -2.664  -8.732
  155    HA   CYS  22           HA       CYS  22  -0.404  -2.072 -10.164
  156   1HB   CYS  22          1HB       CYS  22  -0.727  -2.450  -7.695
  157   2HB   CYS  22          2HB       CYS  22   0.339  -1.061  -7.364
  158    HA   PRO  23           HA       PRO  23   2.538   1.144 -11.761
  159   1HB   PRO  23          1HB       PRO  23  -0.021   2.029 -13.202
  160   2HB   PRO  23          2HB       PRO  23   1.641   1.893 -13.824
  161   1HG   PRO  23          2HG       PRO  23  -0.162  -0.072 -14.376
  162   2HG   PRO  23          1HG       PRO  23   1.498  -0.527 -13.916
  163   1HD   PRO  23          1HD       PRO  23  -1.007  -0.520 -12.138
  164   2HD   PRO  23          2HD       PRO  23   0.297  -1.742 -12.272
  165    HA   PRO  24           HA       PRO  24   1.886   4.868  -9.346
  166   1HB   PRO  24          1HB       PRO  24   2.716   6.979 -11.055
  167   2HB   PRO  24          2HB       PRO  24   3.743   5.857 -10.159
  168   1HG   PRO  24          2HG       PRO  24   2.863   5.626 -13.079
  169   2HG   PRO  24          1HG       PRO  24   4.510   5.467 -12.409
  170   1HD   PRO  24          2HD       PRO  24   3.136   3.183 -12.896
  171   2HD   PRO  24          1HD       PRO  24   3.976   3.313 -11.409
  172    H    GLY  25           H        GLY  25   0.337   6.209  -8.727
  173   1HA   GLY  25          1HA       GLY  25  -1.660   7.664  -8.981
  174   2HA   GLY  25          2HA       GLY  25  -1.914   7.108 -10.614
  175    H    GLN  26           H        GLN  26  -1.754   4.313 -10.159
  176    HA   GLN  26           HA       GLN  26  -4.532   3.758  -9.668
  177   1HB   GLN  26          1HB       GLN  26  -2.219   1.731  -9.723
  178   2HB   GLN  26          2HB       GLN  26  -3.902   1.337  -9.960
  179   1HG   GLN  26          2HG       GLN  26  -2.179   3.058 -11.858
  180   2HG   GLN  26          1HG       GLN  26  -2.498   1.355 -12.038
  181   1HE2  GLN  26          2HE2      GLN  26  -5.669   1.926 -13.620
  182   2HE2  GLN  26          1HE2      GLN  26  -4.396   0.730 -13.056
  183    H    CYS  27           H        CYS  27  -1.799   2.975  -7.421
  184    HA   CYS  27           HA       CYS  27  -3.328   1.231  -5.734
  185   1HB   CYS  27          1HB       CYS  27  -0.837   1.279  -5.834
  186   2HB   CYS  27          2HB       CYS  27  -0.813   2.826  -4.954
  187    NH1  ARG  28           NH1      ARG  28  -5.907   7.482  -6.503
  188    NH2  ARG  28           NH2      ARG  28  -7.025   6.771  -8.351
  189    H    ARG  28           H        ARG  28  -4.868   1.587  -4.334
  190    HA   ARG  28           HA       ARG  28  -5.223   4.272  -2.914
  191   1HB   ARG  28          1HB       ARG  28  -7.284   2.030  -3.429
  192   2HB   ARG  28          2HB       ARG  28  -7.608   3.593  -2.703
  193   1HG   ARG  28          1HG       ARG  28  -6.834   3.044  -5.596
  194   2HG   ARG  28          2HG       ARG  28  -8.409   3.533  -4.996
  195   1HD   ARG  28          2HD       ARG  28  -7.516   5.800  -4.352
  196   2HD   ARG  28          1HD       ARG  28  -5.877   5.307  -4.828
  197    HE   ARG  28           HE       ARG  28  -7.852   4.938  -7.018
  198   1HH1  ARG  28          2HH1      ARG  28  -5.681   7.323  -5.515
  199   2HH1  ARG  28          1HH1      ARG  28  -5.575   8.252  -7.094
  200   1HH2  ARG  28          1HH2      ARG  28  -7.651   6.075  -8.772
  201   2HH2  ARG  28          2HH2      ARG  28  -6.616   7.590  -8.814
  202    H    PHE  29           H        PHE  29  -5.670   4.342  -0.750
  203    HA   PHE  29           HA       PHE  29  -4.959   1.858   0.939
  204   1HB   PHE  29          2HB       PHE  29  -3.909   4.733   1.148
  205   2HB   PHE  29          1HB       PHE  29  -4.042   3.740   2.563
  206    HD1  PHE  29           HD1      PHE  29  -2.642   3.334  -0.982
  207    HD2  PHE  29           HD2      PHE  29  -2.110   2.590   3.229
  208    HE1  PHE  29           HE1      PHE  29  -0.479   2.291  -1.428
  209    HE2  PHE  29           HE2      PHE  29   0.074   1.569   2.753
  210    HZ   PHE  29           HZ       PHE  29   0.888   1.414   0.420
  211    HA   PRO  30           HA       PRO  30  -9.107   3.465   2.478
  212   1HB   PRO  30          1HB       PRO  30 -10.402   1.043   2.796
  213   2HB   PRO  30          2HB       PRO  30 -10.230   1.856   1.237
  214   1HG   PRO  30          1HG       PRO  30  -8.494  -0.402   2.345
  215   2HG   PRO  30          2HG       PRO  30  -9.252  -0.321   0.768
  216   1HD   PRO  30          1HD       PRO  30  -6.605   0.401   1.209
  217   2HD   PRO  30          2HD       PRO  30  -7.577   1.231  -0.040
  218    NH1  ARG  31           NH1      ARG  31 -12.886   6.110   8.303
  219    NH2  ARG  31           NH2      ARG  31 -13.983   6.687   6.400
  220    H    ARG  31           H        ARG  31 -10.003   3.457   4.508
  221    HA   ARG  31           HA       ARG  31  -8.031   3.308   6.637
  222   1HB   ARG  31          1HB       ARG  31 -11.021   4.084   6.687
  223   2HB   ARG  31          2HB       ARG  31  -9.948   4.292   8.057
  224   1HG   ARG  31          1HG       ARG  31  -8.453   5.804   6.742
  225   2HG   ARG  31          2HG       ARG  31  -9.502   5.675   5.341
  226   1HD   ARG  31          1HD       ARG  31 -10.344   6.830   8.093
  227   2HD   ARG  31          2HD       ARG  31  -9.816   7.771   6.719
  228    HE   ARG  31           HE       ARG  31 -11.856   7.238   5.449
  229   1HH1  ARG  31          2HH1      ARG  31 -11.988   6.023   8.792
  230   2HH1  ARG  31          1HH1      ARG  31 -13.814   5.884   8.678
  231   1HH2  ARG  31          1HH2      ARG  31 -13.927   7.038   5.437
  232   2HH2  ARG  31          2HH2      ARG  31 -14.834   6.420   6.908
  233    H    GLY  32           H        GLY  32  -8.378   2.558   8.801
  234   1HA   GLY  32          1HA       GLY  32  -9.025   1.073  10.536
  235   2HA   GLY  32          2HA       GLY  32 -10.420   0.632   9.580
  236    H    ASP  33           H        ASP  33 -10.462  -1.450   9.222
  237    HA   ASP  33           HA       ASP  33  -7.898  -3.098   8.777
  238   1HB   ASP  33          2HB       ASP  33  -9.272  -3.733  10.838
  239   2HB   ASP  33          1HB       ASP  33 -10.612  -4.157   9.786
  240    H    ALA  34           H        ALA  34  -8.489  -1.655   6.726
  241    HA   ALA  34           HA       ALA  34  -9.522  -3.721   4.703
  242   1HB   ALA  34          3HB       ALA  34  -9.831  -0.659   4.491
  243   2HB   ALA  34          1HB       ALA  34 -10.300  -1.861   3.259
  244   3HB   ALA  34          2HB       ALA  34 -11.133  -1.834   4.827
  245    H    ASP  35           H        ASP  35  -8.044  -4.336   3.440
  246    HA   ASP  35           HA       ASP  35  -5.269  -3.337   3.611
  247   1HB   ASP  35          1HB       ASP  35  -6.408  -5.641   1.913
  248   2HB   ASP  35          2HB       ASP  35  -4.713  -5.216   1.969
  249    HA   PRO  36           HA       PRO  36  -5.123  -0.630  -0.020
  250   1HB   PRO  36          1HB       PRO  36  -2.331  -1.751  -0.538
  251   2HB   PRO  36          2HB       PRO  36  -2.863  -0.064  -0.490
  252   1HG   PRO  36          2HG       PRO  36  -1.587  -1.151   1.658
  253   2HG   PRO  36          1HG       PRO  36  -2.982  -0.074   1.912
  254   1HD   PRO  36          1HD       PRO  36  -2.939  -3.130   2.093
  255   2HD   PRO  36          2HD       PRO  36  -3.769  -1.918   3.111
  256    OH   TYR  37           OH       TYR  37 -10.741   2.241  -3.073
  257    H    TYR  37           H        TYR  37  -5.968  -0.785  -1.955
  258    HA   TYR  37           HA       TYR  37  -5.663  -3.345  -3.627
  259   1HB   TYR  37          2HB       TYR  37  -7.935  -3.104  -4.400
  260   2HB   TYR  37          1HB       TYR  37  -7.889  -3.230  -2.672
  261    HD1  TYR  37           HD1      TYR  37  -8.598  -0.919  -5.513
  262    HD2  TYR  37           HD2      TYR  37  -8.630  -1.324  -1.236
  263    HE1  TYR  37           HE1      TYR  37  -9.902   1.149  -5.323
  264    HE2  TYR  37           HE2      TYR  37  -9.946   0.736  -1.047
  265    HH   TYR  37           HH       TYR  37 -10.905   2.426  -2.146
  266    H    CYS  38           H        CYS  38  -5.362  -3.189  -5.774
  267    HA   CYS  38           HA       CYS  38  -4.302  -0.595  -6.872
  268   1HB   CYS  38          1HB       CYS  38  -3.131  -2.807  -7.231
  269   2HB   CYS  38          2HB       CYS  38  -4.461  -3.311  -8.305
  270    H    GLU  39           H        GLU  39  -5.758   0.811  -7.568
  271    HA   GLU  39           HA       GLU  39  -8.386  -0.042  -8.855
  272   1HB   GLU  39          1HB       GLU  39  -8.336   1.601  -6.926
  273   2HB   GLU  39          2HB       GLU  39  -7.473   2.753  -7.934
  274   1HG   GLU  39          1HG       GLU  39  -9.425   2.783  -9.556
  275   2HG   GLU  39          2HG       GLU  39 -10.280   1.616  -8.548
   
  Start of MODEL           8
 Raw file had 275 H/Q atoms
  Start of MODEL    8
    1   1H    ALA   1          3H        ALA   1  12.168 -10.544 -14.252
    2   2H    ALA   1          2H        ALA   1  12.727 -11.286 -12.886
    3   3H    ALA   1          1H        ALA   1  11.642 -12.061 -13.862
    4    HA   ALA   1           HA       ALA   1   9.925 -10.476 -13.390
    5   1HB   ALA   1          2HB       ALA   1  10.066 -12.512 -11.962
    6   2HB   ALA   1          1HB       ALA   1  11.188 -11.694 -10.841
    7   3HB   ALA   1          3HB       ALA   1   9.506 -11.132 -10.999
    8    HA   PRO   2           HA       PRO   2  11.662  -6.461 -12.077
    9   1HB   PRO   2          1HB       PRO   2   9.379  -4.930 -11.802
   10   2HB   PRO   2          2HB       PRO   2   9.969  -5.532 -13.354
   11   1HG   PRO   2          1HG       PRO   2   7.768  -6.741 -11.605
   12   2HG   PRO   2          2HG       PRO   2   7.717  -6.416 -13.354
   13   1HD   PRO   2          1HD       PRO   2   8.318  -8.929 -12.322
   14   2HD   PRO   2          2HD       PRO   2   9.042  -8.357 -13.853
   15    NH1  ARG   3           NH1      ARG   3  17.849  -6.885  -5.352
   16    NH2  ARG   3           NH2      ARG   3  17.253  -8.929  -6.150
   17    H    ARG   3           H        ARG   3  12.436  -5.680 -10.226
   18    HA   ARG   3           HA       ARG   3  11.324  -6.551  -7.556
   19   1HB   ARG   3          2HB       ARG   3  13.760  -6.777  -8.135
   20   2HB   ARG   3          1HB       ARG   3  13.917  -5.027  -8.218
   21   1HG   ARG   3          2HG       ARG   3  13.243  -4.859  -5.790
   22   2HG   ARG   3          1HG       ARG   3  13.023  -6.599  -5.701
   23   1HD   ARG   3          2HD       ARG   3  15.706  -5.191  -6.343
   24   2HD   ARG   3          1HD       ARG   3  15.210  -5.727  -4.735
   25    HE   ARG   3           HE       ARG   3  15.044  -8.051  -6.470
   26   1HH1  ARG   3          1HH1      ARG   3  17.561  -5.926  -5.130
   27   2HH1  ARG   3          2HH1      ARG   3  18.783  -7.291  -5.227
   28   1HH2  ARG   3          2HH2      ARG   3  16.515  -9.528  -6.536
   29   2HH2  ARG   3          1HH2      ARG   3  18.228  -9.193  -5.971
   30    H    LEU   4           H        LEU   4   9.496  -5.342  -7.311
   31    HA   LEU   4           HA       LEU   4   9.410  -2.422  -7.871
   32   1HB   LEU   4          1HB       LEU   4   7.228  -4.363  -6.952
   33   2HB   LEU   4          2HB       LEU   4   6.995  -2.690  -7.415
   34    HG   LEU   4           HG       LEU   4   7.972  -4.916  -9.293
   35   1HD1  LEU   4          3HD1      LEU   4   5.578  -5.111  -8.647
   36   2HD1  LEU   4          1HD1      LEU   4   5.271  -3.421  -9.109
   37   3HD1  LEU   4          2HD1      LEU   4   5.718  -4.623 -10.351
   38   1HD2  LEU   4          2HD2      LEU   4   7.376  -1.960  -9.974
   39   2HD2  LEU   4          3HD2      LEU   4   8.959  -2.767 -10.079
   40   3HD2  LEU   4          1HD2      LEU   4   7.647  -3.253 -11.163
   41    HA   PRO   5           HA       PRO   5   9.828  -1.148  -3.373
   42   1HB   PRO   5          1HB       PRO   5   8.473   1.309  -4.633
   43   2HB   PRO   5          2HB       PRO   5   9.817   1.260  -3.467
   44   1HG   PRO   5          1HG       PRO   5  10.348   1.734  -6.080
   45   2HG   PRO   5          2HG       PRO   5  11.392   0.594  -5.193
   46   1HD   PRO   5          1HD       PRO   5   9.081  -0.074  -7.106
   47   2HD   PRO   5          2HD       PRO   5  10.708  -0.813  -6.995
   48    H    GLN   6           H        GLN   6   8.282  -0.292  -1.714
   49    HA   GLN   6           HA       GLN   6   5.448  -1.306  -2.109
   50   1HB   GLN   6          1HB       GLN   6   6.793  -2.035  -0.119
   51   2HB   GLN   6          2HB       GLN   6   6.852  -0.381   0.465
   52   1HG   GLN   6          2HG       GLN   6   5.167  -1.520   1.715
   53   2HG   GLN   6          1HG       GLN   6   4.308  -0.411   0.668
   54   1HE2  GLN   6          2HE2      GLN   6   2.299  -3.179  -0.449
   55   2HE2  GLN   6          1HE2      GLN   6   2.484  -1.386  -0.111
   56    H    CYS   7           H        CYS   7   3.820  -0.025  -2.181
   57    HA   CYS   7           HA       CYS   7   4.108   2.876  -2.806
   58   1HB   CYS   7          1HB       CYS   7   1.848   0.905  -3.065
   59   2HB   CYS   7          2HB       CYS   7   1.362   2.551  -2.697
   60    H    GLN   8           H        GLN   8   2.982   4.575  -1.878
   61    HA   GLN   8           HA       GLN   8   2.397   4.413   1.135
   62   1HB   GLN   8          1HB       GLN   8   3.679   6.748  -0.427
   63   2HB   GLN   8          2HB       GLN   8   3.107   6.850   1.237
   64   1HG   GLN   8          2HG       GLN   8   4.720   5.084   1.967
   65   2HG   GLN   8          1HG       GLN   8   5.309   4.888   0.326
   66   1HE2  GLN   8          2HE2      GLN   8   7.419   7.813   0.532
   67   2HE2  GLN   8          1HE2      GLN   8   6.708   6.499  -0.535
   68    H    GLY   9           H        GLY   9   1.478   6.161  -1.899
   69   1HA   GLY   9          1HA       GLY   9  -1.312   6.012  -1.608
   70   2HA   GLY   9          2HA       GLY   9  -0.940   7.424  -0.618
   71    H    ASP  10           H        ASP  10  -1.170   6.193  -3.831
   72    HA   ASP  10           HA       ASP  10  -1.140   7.123  -5.968
   73   1HB   ASP  10          1HB       ASP  10  -2.764   8.757  -4.932
   74   2HB   ASP  10          2HB       ASP  10  -1.439   9.882  -4.647
   75    H    ASP  11           H        ASP  11   0.903   6.355  -6.311
   76    HA   ASP  11           HA       ASP  11   3.313   8.006  -5.545
   77   1HB   ASP  11          1HB       ASP  11   2.895   5.025  -6.273
   78   2HB   ASP  11          2HB       ASP  11   4.471   5.723  -5.983
   79    H    GLN  12           H        GLN  12   5.219   7.925  -6.808
   80    HA   GLN  12           HA       GLN  12   4.804   8.782  -9.644
   81   1HB   GLN  12          1HB       GLN  12   7.391   8.518  -7.980
   82   2HB   GLN  12          2HB       GLN  12   7.325   9.125  -9.632
   83   1HG   GLN  12          1HG       GLN  12   5.816  11.006  -8.942
   84   2HG   GLN  12          2HG       GLN  12   5.841  10.450  -7.277
   85   1HE2  GLN  12          2HE2      GLN  12   9.097  11.896  -6.650
   86   2HE2  GLN  12          1HE2      GLN  12   7.754  10.805  -6.034
   87    H    GLU  13           H        GLU  13   6.357   5.898  -8.141
   88    HA   GLU  13           HA       GLU  13   6.862   4.760 -10.956
   89   1HB   GLU  13          1HB       GLU  13   8.237   4.027  -8.283
   90   2HB   GLU  13          2HB       GLU  13   8.571   3.291  -9.839
   91   1HG   GLU  13          1HG       GLU  13   9.384   5.471 -10.779
   92   2HG   GLU  13          2HG       GLU  13   9.085   6.266  -9.237
   93    H    LYS  14           H        LYS  14   6.899   2.381 -11.000
   94    HA   LYS  14           HA       LYS  14   4.226   1.277 -10.267
   95   1HB   LYS  14          1HB       LYS  14   5.324   0.740 -12.452
   96   2HB   LYS  14          2HB       LYS  14   6.622  -0.116 -11.616
   97   1HG   LYS  14          2HG       LYS  14   4.945  -1.762 -10.700
   98   2HG   LYS  14          1HG       LYS  14   3.633  -0.913 -11.484
   99   1HD   LYS  14          2HD       LYS  14   6.000  -2.201 -12.994
  100   2HD   LYS  14          1HD       LYS  14   4.503  -3.043 -12.605
  101   1HE   LYS  14          1HE       LYS  14   3.164  -1.354 -13.926
  102   2HE   LYS  14          2HE       LYS  14   4.654  -0.501 -14.358
  103   1HZ   LYS  14          3HZ       LYS  14   5.429  -2.542 -15.458
  104   2HZ   LYS  14          1HZ       LYS  14   4.030  -3.328 -15.065
  105   3HZ   LYS  14          2HZ       LYS  14   3.991  -2.037 -16.096
  106    H    CYS  15           H        CYS  15   3.796  -0.087  -8.602
  107    HA   CYS  15           HA       CYS  15   5.993  -0.885  -6.642
  108   1HB   CYS  15          1HB       CYS  15   4.905   0.451  -4.858
  109   2HB   CYS  15          2HB       CYS  15   5.182   1.529  -6.234
  110    H    LEU  16           H        LEU  16   5.144  -1.959  -4.768
  111    HA   LEU  16           HA       LEU  16   3.031  -4.060  -5.250
  112   1HB   LEU  16          1HB       LEU  16   4.656  -3.334  -2.727
  113   2HB   LEU  16          2HB       LEU  16   3.532  -4.667  -2.799
  114    HG   LEU  16           HG       LEU  16   6.048  -4.462  -4.562
  115   1HD1  LEU  16          1HD1      LEU  16   6.660  -4.574  -2.151
  116   2HD1  LEU  16          2HD1      LEU  16   5.637  -6.012  -1.924
  117   3HD1  LEU  16          3HD1      LEU  16   7.080  -6.090  -2.970
  118   1HD2  LEU  16          3HD2      LEU  16   4.162  -6.861  -4.029
  119   2HD2  LEU  16          1HD2      LEU  16   4.312  -5.971  -5.564
  120   3HD2  LEU  16          2HD2      LEU  16   5.682  -6.922  -4.960
  121    H    CYS  17           H        CYS  17   0.982  -3.797  -4.699
  122    HA   CYS  17           HA       CYS  17   0.083  -1.522  -2.831
  123   1HB   CYS  17          1HB       CYS  17  -0.664  -1.480  -5.354
  124   2HB   CYS  17          2HB       CYS  17  -1.765  -2.805  -4.916
  125    H    ASN  18           H        ASN  18   0.228  -2.633  -0.988
  126    HA   ASN  18           HA       ASN  18  -0.127  -4.124   0.751
  127   1HB   ASN  18          1HB       ASN  18  -2.573  -4.264   0.155
  128   2HB   ASN  18          2HB       ASN  18  -2.239  -5.620  -0.902
  129   1HD2  ASN  18          1HD2      ASN  18  -2.720  -7.820   1.865
  130   2HD2  ASN  18          2HD2      ASN  18  -3.051  -7.375   0.116
  131    H    LYS  19           H        LYS  19  -0.602  -6.486  -1.803
  132    HA   LYS  19           HA       LYS  19   2.331  -6.816  -2.246
  133   1HB   LYS  19          2HB       LYS  19   2.525  -9.221  -1.795
  134   2HB   LYS  19          1HB       LYS  19   2.151  -8.311  -0.354
  135   1HG   LYS  19          1HG       LYS  19  -0.353  -9.059  -0.669
  136   2HG   LYS  19          2HG       LYS  19   0.217 -10.104  -1.952
  137   1HD   LYS  19          1HD       LYS  19   0.049 -11.496  -0.049
  138   2HD   LYS  19          2HD       LYS  19   1.777 -11.265  -0.285
  139   1HE   LYS  19          2HE       LYS  19   1.777  -9.510   1.581
  140   2HE   LYS  19          1HE       LYS  19   0.031  -9.717   1.770
  141   1HZ   LYS  19          3HZ       LYS  19   0.437 -12.052   2.365
  142   2HZ   LYS  19          2HZ       LYS  19   2.068 -11.854   2.187
  143   3HZ   LYS  19          1HZ       LYS  19   1.262 -11.035   3.374
  144    H    ASP  20           H        ASP  20   0.493  -5.764  -3.909
  145    HA   ASP  20           HA       ASP  20   0.244  -7.799  -6.197
  146   1HB   ASP  20          1HB       ASP  20  -1.772  -5.611  -5.334
  147   2HB   ASP  20          2HB       ASP  20  -1.898  -6.596  -6.777
  148    H    GLU  21           H        GLU  21   1.437  -7.157  -7.903
  149    HA   GLU  21           HA       GLU  21   2.726  -4.602  -8.123
  150   1HB   GLU  21          1HB       GLU  21   3.474  -5.296 -10.344
  151   2HB   GLU  21          2HB       GLU  21   3.716  -6.525  -9.112
  152   1HG   GLU  21          1HG       GLU  21   1.797  -7.851 -10.015
  153   2HG   GLU  21          2HG       GLU  21   1.477  -6.620 -11.236
  154    H    CYS  22           H        CYS  22   2.138  -2.740  -8.819
  155    HA   CYS  22           HA       CYS  22  -0.505  -2.302 -10.298
  156   1HB   CYS  22          1HB       CYS  22  -0.788  -2.400  -7.790
  157   2HB   CYS  22          2HB       CYS  22   0.278  -0.985  -7.632
  158    HA   PRO  23           HA       PRO  23   2.250   0.883 -12.243
  159   1HB   PRO  23          1HB       PRO  23  -0.397   1.876 -13.408
  160   2HB   PRO  23          2HB       PRO  23   1.145   1.588 -14.231
  161   1HG   PRO  23          2HG       PRO  23  -0.871  -0.223 -14.466
  162   2HG   PRO  23          1HG       PRO  23   0.804  -0.790 -14.270
  163   1HD   PRO  23          1HD       PRO  23  -1.387  -0.634 -12.132
  164   2HD   PRO  23          2HD       PRO  23  -0.188  -1.927 -12.449
  165    HA   PRO  24           HA       PRO  24   2.144   4.626  -9.741
  166   1HB   PRO  24          2HB       PRO  24   2.030   6.212 -12.408
  167   2HB   PRO  24          1HB       PRO  24   3.043   6.541 -10.992
  168   1HG   PRO  24          2HG       PRO  24   4.120   5.234 -13.106
  169   2HG   PRO  24          1HG       PRO  24   4.472   4.681 -11.472
  170   1HD   PRO  24          2HD       PRO  24   2.583   3.406 -13.469
  171   2HD   PRO  24          1HD       PRO  24   3.626   2.648 -12.245
  172    H    GLY  25           H        GLY  25   0.759   5.825  -8.655
  173   1HA   GLY  25          1HA       GLY  25  -1.074   7.312  -8.226
  174   2HA   GLY  25          2HA       GLY  25  -1.632   7.208  -9.860
  175    H    GLN  26           H        GLN  26  -1.975   4.357 -10.003
  176    HA   GLN  26           HA       GLN  26  -4.682   4.044  -9.049
  177   1HB   GLN  26          2HB       GLN  26  -2.633   1.927  -9.957
  178   2HB   GLN  26          1HB       GLN  26  -4.309   1.550  -9.659
  179   1HG   GLN  26          2HG       GLN  26  -5.113   3.013 -11.455
  180   2HG   GLN  26          1HG       GLN  26  -3.507   3.665 -11.727
  181   1HE2  GLN  26          2HE2      GLN  26  -4.174  -0.183 -13.131
  182   2HE2  GLN  26          1HE2      GLN  26  -5.066   0.394 -11.633
  183    H    CYS  27           H        CYS  27  -1.747   3.202  -7.185
  184    HA   CYS  27           HA       CYS  27  -3.098   1.223  -5.482
  185   1HB   CYS  27          1HB       CYS  27  -0.633   1.290  -5.749
  186   2HB   CYS  27          2HB       CYS  27  -0.555   2.798  -4.798
  187    NH1  ARG  28           NH1      ARG  28  -5.546   7.881  -6.129
  188    NH2  ARG  28           NH2      ARG  28  -6.568   7.337  -8.085
  189    H    ARG  28           H        ARG  28  -4.774   1.718  -4.315
  190    HA   ARG  28           HA       ARG  28  -5.054   4.356  -2.803
  191   1HB   ARG  28          1HB       ARG  28  -7.179   2.237  -3.534
  192   2HB   ARG  28          2HB       ARG  28  -7.490   3.765  -2.733
  193   1HG   ARG  28          2HG       ARG  28  -6.604   3.355  -5.616
  194   2HG   ARG  28          1HG       ARG  28  -8.169   3.895  -5.045
  195   1HD   ARG  28          2HD       ARG  28  -7.163   6.059  -4.210
  196   2HD   ARG  28          1HD       ARG  28  -5.546   5.502  -4.695
  197    HE   ARG  28           HE       ARG  28  -7.442   5.384  -6.958
  198   1HH1  ARG  28          1HH1      ARG  28  -5.194   8.704  -6.630
  199   2HH1  ARG  28          2HH1      ARG  28  -5.365   7.634  -5.150
  200   1HH2  ARG  28          1HH2      ARG  28  -7.164   6.679  -8.599
  201   2HH2  ARG  28          2HH2      ARG  28  -6.147   8.198  -8.450
  202    H    PHE  29           H        PHE  29  -5.658   4.404  -0.680
  203    HA   PHE  29           HA       PHE  29  -4.984   1.887   0.980
  204   1HB   PHE  29          2HB       PHE  29  -4.069   4.806   1.339
  205   2HB   PHE  29          1HB       PHE  29  -3.966   3.615   2.604
  206    HD1  PHE  29           HD1      PHE  29  -2.822   4.211  -0.966
  207    HD2  PHE  29           HD2      PHE  29  -2.090   2.112   2.722
  208    HE1  PHE  29           HE1      PHE  29  -0.776   3.257  -1.907
  209    HE2  PHE  29           HE2      PHE  29  -0.019   1.188   1.765
  210    HZ   PHE  29           HZ       PHE  29   0.616   1.727  -0.558
  211    HA   PRO  30           HA       PRO  30  -9.109   3.424   2.602
  212   1HB   PRO  30          2HB       PRO  30 -10.457   1.026   2.780
  213   2HB   PRO  30          1HB       PRO  30 -10.223   1.903   1.257
  214   1HG   PRO  30          1HG       PRO  30  -8.626  -0.474   2.297
  215   2HG   PRO  30          2HG       PRO  30  -9.282  -0.247   0.692
  216   1HD   PRO  30          1HD       PRO  30  -6.631   0.320   1.416
  217   2HD   PRO  30          2HD       PRO  30  -7.450   1.168   0.067
  218    NH1  ARG  31           NH1      ARG  31 -10.525   7.993   4.382
  219    NH2  ARG  31           NH2      ARG  31 -12.741   7.600   4.693
  220    H    ARG  31           H        ARG  31 -10.006   3.392   4.609
  221    HA   ARG  31           HA       ARG  31  -8.073   3.006   6.771
  222   1HB   ARG  31          1HB       ARG  31 -10.946   4.143   6.717
  223   2HB   ARG  31          2HB       ARG  31  -9.929   4.197   8.140
  224   1HG   ARG  31          1HG       ARG  31  -8.208   5.554   6.994
  225   2HG   ARG  31          2HG       ARG  31  -9.103   5.521   5.486
  226   1HD   ARG  31          2HD       ARG  31 -10.144   6.762   8.116
  227   2HD   ARG  31          1HD       ARG  31  -9.353   7.669   6.847
  228    HE   ARG  31           HE       ARG  31 -12.177   6.647   6.819
  229   1HH1  ARG  31          2HH1      ARG  31  -9.571   7.919   4.757
  230   2HH1  ARG  31          1HH1      ARG  31 -10.800   8.394   3.479
  231   1HH2  ARG  31          1HH2      ARG  31 -13.480   7.229   5.299
  232   2HH2  ARG  31          2HH2      ARG  31 -12.862   8.028   3.768
  233    H    GLY  32           H        GLY  32  -8.824   2.406   8.995
  234   1HA   GLY  32          1HA       GLY  32  -9.777   0.972  10.625
  235   2HA   GLY  32          2HA       GLY  32 -10.989   0.494   9.457
  236    H    ASP  33           H        ASP  33 -10.874  -1.538   8.771
  237    HA   ASP  33           HA       ASP  33  -8.216  -3.048   8.670
  238   1HB   ASP  33          2HB       ASP  33  -9.565  -3.821  10.696
  239   2HB   ASP  33          1HB       ASP  33 -10.854  -4.338   9.625
  240    H    ALA  34           H        ALA  34  -8.618  -1.813   6.583
  241    HA   ALA  34           HA       ALA  34  -9.667  -3.865   4.571
  242   1HB   ALA  34          3HB       ALA  34 -10.028  -0.805   4.348
  243   2HB   ALA  34          2HB       ALA  34 -10.443  -2.008   3.099
  244   3HB   ALA  34          1HB       ALA  34 -11.314  -2.006   4.646
  245    H    ASP  35           H        ASP  35  -8.191  -4.429   3.258
  246    HA   ASP  35           HA       ASP  35  -5.425  -3.451   3.519
  247   1HB   ASP  35          1HB       ASP  35  -6.531  -5.665   1.690
  248   2HB   ASP  35          2HB       ASP  35  -4.836  -5.255   1.815
  249    HA   PRO  36           HA       PRO  36  -5.179  -0.595  -0.004
  250   1HB   PRO  36          1HB       PRO  36  -2.367  -1.703  -0.458
  251   2HB   PRO  36          2HB       PRO  36  -2.899  -0.015  -0.372
  252   1HG   PRO  36          1HG       PRO  36  -1.702  -1.173   1.783
  253   2HG   PRO  36          2HG       PRO  36  -3.112  -0.112   2.026
  254   1HD   PRO  36          1HD       PRO  36  -3.060  -3.167   2.092
  255   2HD   PRO  36          2HD       PRO  36  -3.926  -1.998   3.128
  256    OH   TYR  37           OH       TYR  37 -10.567   2.517  -3.122
  257    H    TYR  37           H        TYR  37  -5.881  -0.651  -2.015
  258    HA   TYR  37           HA       TYR  37  -5.648  -3.228  -3.667
  259   1HB   TYR  37          2HB       TYR  37  -7.886  -2.872  -4.503
  260   2HB   TYR  37          1HB       TYR  37  -7.874  -3.023  -2.777
  261    HD1  TYR  37           HD1      TYR  37  -8.468  -0.655  -5.593
  262    HD2  TYR  37           HD2      TYR  37  -8.533  -1.109  -1.324
  263    HE1  TYR  37           HE1      TYR  37  -9.740   1.442  -5.386
  264    HE2  TYR  37           HE2      TYR  37  -9.803   0.971  -1.111
  265    HH   TYR  37           HH       TYR  37 -10.728   2.693  -2.192
  266    H    CYS  38           H        CYS  38  -5.285  -3.136  -5.773
  267    HA   CYS  38           HA       CYS  38  -4.266  -0.591  -7.036
  268   1HB   CYS  38          1HB       CYS  38  -3.106  -2.829  -7.351
  269   2HB   CYS  38          2HB       CYS  38  -4.492  -3.379  -8.329
  270    H    GLU  39           H        GLU  39  -5.569   0.701  -8.122
  271    HA   GLU  39           HA       GLU  39  -8.462   0.050  -8.459
  272   1HB   GLU  39          2HB       GLU  39  -7.520   2.191  -7.453
  273   2HB   GLU  39          1HB       GLU  39  -6.940   2.670  -9.042
  274   1HG   GLU  39          2HG       GLU  39  -9.363   2.626  -9.887
  275   2HG   GLU  39          1HG       GLU  39  -9.900   2.136  -8.282
   
  Start of MODEL           9
 Raw file had 275 H/Q atoms
  Start of MODEL    9
    1   1H    ALA   1          1H        ALA   1  18.855  -5.009 -12.307
    2   2H    ALA   1          2H        ALA   1  19.258  -4.262 -10.890
    3   3H    ALA   1          3H        ALA   1  20.161  -5.531 -11.440
    4    HA   ALA   1           HA       ALA   1  18.347  -7.076 -11.153
    5   1HB   ALA   1          2HB       ALA   1  19.946  -6.815  -9.284
    6   2HB   ALA   1          3HB       ALA   1  19.012  -5.456  -8.611
    7   3HB   ALA   1          1HB       ALA   1  18.313  -7.092  -8.648
    8    HA   PRO   2           HA       PRO   2  14.561  -4.350 -11.385
    9   1HB   PRO   2          1HB       PRO   2  12.766  -6.140 -12.492
   10   2HB   PRO   2          2HB       PRO   2  14.057  -5.339 -13.394
   11   1HG   PRO   2          2HG       PRO   2  14.074  -8.164 -12.222
   12   2HG   PRO   2          1HG       PRO   2  14.567  -7.655 -13.854
   13   1HD   PRO   2          1HD       PRO   2  16.392  -8.062 -11.803
   14   2HD   PRO   2          2HD       PRO   2  16.677  -6.825 -13.065
   15    NH1  ARG   3           NH1      ARG   3  15.456  -5.728  -1.665
   16    NH2  ARG   3           NH2      ARG   3  13.428  -6.088  -0.703
   17    H    ARG   3           H        ARG   3  13.648  -3.835  -9.525
   18    HA   ARG   3           HA       ARG   3  12.052  -5.833  -7.900
   19   1HB   ARG   3          2HB       ARG   3  14.419  -5.760  -6.982
   20   2HB   ARG   3          1HB       ARG   3  14.264  -4.029  -6.700
   21   1HG   ARG   3          2HG       ARG   3  12.343  -4.474  -5.116
   22   2HG   ARG   3          1HG       ARG   3  12.479  -6.208  -5.443
   23   1HD   ARG   3          2HD       ARG   3  14.843  -6.194  -4.502
   24   2HD   ARG   3          1HD       ARG   3  14.701  -4.454  -4.183
   25    HE   ARG   3           HE       ARG   3  12.455  -5.795  -2.878
   26   1HH1  ARG   3          2HH1      ARG   3  15.983  -5.526  -2.522
   27   2HH1  ARG   3          1HH1      ARG   3  15.841  -5.859  -0.723
   28   1HH2  ARG   3          1HH2      ARG   3  12.412  -6.163  -0.822
   29   2HH2  ARG   3          2HH2      ARG   3  13.953  -6.194   0.172
   30    H    LEU   4           H        LEU   4  10.111  -4.956  -7.647
   31    HA   LEU   4           HA       LEU   4   9.500  -2.086  -8.013
   32   1HB   LEU   4          1HB       LEU   4   7.707  -4.354  -6.986
   33   2HB   LEU   4          2HB       LEU   4   7.193  -2.739  -7.428
   34    HG   LEU   4           HG       LEU   4   8.352  -4.821  -9.364
   35   1HD1  LEU   4          3HD1      LEU   4   6.049  -5.328  -8.503
   36   2HD1  LEU   4          1HD1      LEU   4   5.486  -3.716  -9.008
   37   3HD1  LEU   4          2HD1      LEU   4   6.007  -4.908 -10.231
   38   1HD2  LEU   4          3HD2      LEU   4   8.914  -2.499 -10.192
   39   2HD2  LEU   4          2HD2      LEU   4   7.700  -3.282 -11.219
   40   3HD2  LEU   4          1HD2      LEU   4   7.200  -2.036 -10.060
   41    HA   PRO   5           HA       PRO   5   9.943  -0.963  -3.474
   42   1HB   PRO   5          1HB       PRO   5   8.131   1.308  -4.482
   43   2HB   PRO   5          2HB       PRO   5   9.549   1.407  -3.417
   44   1HG   PRO   5          1HG       PRO   5   9.794   2.105  -6.024
   45   2HG   PRO   5          2HG       PRO   5  11.074   1.113  -5.280
   46   1HD   PRO   5          1HD       PRO   5   8.770   0.171  -7.073
   47   2HD   PRO   5          2HD       PRO   5  10.498  -0.292  -7.121
   48    H    GLN   6           H        GLN   6   8.315  -0.224  -1.754
   49    HA   GLN   6           HA       GLN   6   5.632  -1.640  -1.992
   50   1HB   GLN   6          1HB       GLN   6   7.092  -2.171  -0.020
   51   2HB   GLN   6          2HB       GLN   6   7.007  -0.500   0.511
   52   1HG   GLN   6          2HG       GLN   6   5.472  -1.782   1.835
   53   2HG   GLN   6          1HG       GLN   6   4.502  -0.749   0.803
   54   1HE2  GLN   6          2HE2      GLN   6   2.636  -3.692  -0.068
   55   2HE2  GLN   6          1HE2      GLN   6   2.683  -1.912   0.369
   56    H    CYS   7           H        CYS   7   3.865  -0.525  -2.001
   57    HA   CYS   7           HA       CYS   7   3.883   2.202  -3.059
   58   1HB   CYS   7          1HB       CYS   7   1.517   0.448  -2.164
   59   2HB   CYS   7          2HB       CYS   7   1.322   2.020  -2.961
   60    H    GLN   8           H        GLN   8   2.684   4.019  -2.368
   61    HA   GLN   8           HA       GLN   8   2.522   4.457   0.661
   62   1HB   GLN   8          1HB       GLN   8   3.160   6.777   0.383
   63   2HB   GLN   8          2HB       GLN   8   4.375   5.723  -0.321
   64   1HG   GLN   8          2HG       GLN   8   3.432   6.252  -2.648
   65   2HG   GLN   8          1HG       GLN   8   2.290   7.362  -1.922
   66   1HE2  GLN   8          2HE2      GLN   8   4.781   9.952  -1.585
   67   2HE2  GLN   8          1HE2      GLN   8   3.072   9.396  -1.205
   68    H    GLY   9           H        GLY   9   0.797   5.077  -2.384
   69   1HA   GLY   9          1HA       GLY   9  -1.799   5.254  -2.104
   70   2HA   GLY   9          2HA       GLY   9  -1.509   6.414  -0.812
   71    H    ASP  10           H        ASP  10  -1.617   5.923  -4.194
   72    HA   ASP  10           HA       ASP  10  -1.437   7.233  -6.098
   73   1HB   ASP  10          1HB       ASP  10  -2.878   8.915  -4.842
   74   2HB   ASP  10          2HB       ASP  10  -1.415   9.785  -4.388
   75    H    ASP  11           H        ASP  11   0.467   6.315  -6.577
   76    HA   ASP  11           HA       ASP  11   3.023   7.188  -5.285
   77   1HB   ASP  11          1HB       ASP  11   2.165   4.801  -7.069
   78   2HB   ASP  11          2HB       ASP  11   3.845   5.094  -6.700
   79    H    GLN  12           H        GLN  12   4.943   7.453  -6.340
   80    HA   GLN  12           HA       GLN  12   4.964   8.842  -9.037
   81   1HB   GLN  12          1HB       GLN  12   7.253   8.273  -7.046
   82   2HB   GLN  12          2HB       GLN  12   7.457   9.057  -8.610
   83   1HG   GLN  12          1HG       GLN  12   5.913  10.917  -7.936
   84   2HG   GLN  12          2HG       GLN  12   5.672  10.183  -6.360
   85   1HE2  GLN  12          2HE2      GLN  12   8.808  11.450  -5.094
   86   2HE2  GLN  12          1HE2      GLN  12   7.335  10.393  -4.800
   87    H    GLU  13           H        GLU  13   6.184   5.760  -7.613
   88    HA   GLU  13           HA       GLU  13   6.924   4.801 -10.446
   89   1HB   GLU  13          1HB       GLU  13   8.070   3.825  -7.741
   90   2HB   GLU  13          2HB       GLU  13   8.497   3.199  -9.322
   91   1HG   GLU  13          2HG       GLU  13   9.467   5.408 -10.013
   92   2HG   GLU  13          1HG       GLU  13   9.079   6.089  -8.436
   93    H    LYS  14           H        LYS  14   6.850   2.452 -10.665
   94    HA   LYS  14           HA       LYS  14   4.132   1.363 -10.031
   95   1HB   LYS  14          1HB       LYS  14   5.216   0.991 -12.272
   96   2HB   LYS  14          2HB       LYS  14   6.474   0.011 -11.512
   97   1HG   LYS  14          1HG       LYS  14   4.720  -1.643 -10.746
   98   2HG   LYS  14          2HG       LYS  14   3.455  -0.632 -11.440
   99   1HD   LYS  14          1HD       LYS  14   4.446  -0.936 -13.737
  100   2HD   LYS  14          2HD       LYS  14   5.728  -1.946 -13.054
  101   1HE   LYS  14          1HE       LYS  14   4.005  -3.614 -12.239
  102   2HE   LYS  14          2HE       LYS  14   2.701  -2.601 -12.877
  103   1HZ   LYS  14          2HZ       LYS  14   4.861  -3.841 -14.516
  104   2HZ   LYS  14          3HZ       LYS  14   3.298  -4.365 -14.418
  105   3HZ   LYS  14          1HZ       LYS  14   3.638  -2.904 -15.110
  106    H    CYS  15           H        CYS  15   3.734   0.158  -8.261
  107    HA   CYS  15           HA       CYS  15   5.982  -1.050  -6.586
  108   1HB   CYS  15          1HB       CYS  15   5.193   0.339  -4.619
  109   2HB   CYS  15          2HB       CYS  15   5.739   1.372  -5.957
  110    H    LEU  16           H        LEU  16   5.151  -2.015  -4.619
  111    HA   LEU  16           HA       LEU  16   3.050  -4.063  -5.200
  112   1HB   LEU  16          2HB       LEU  16   4.761  -3.498  -2.697
  113   2HB   LEU  16          1HB       LEU  16   3.655  -4.835  -2.782
  114    HG   LEU  16           HG       LEU  16   6.003  -4.505  -4.747
  115   1HD1  LEU  16          1HD2      LEU  16   6.867  -4.640  -2.413
  116   2HD1  LEU  16          3HD2      LEU  16   5.909  -6.108  -2.106
  117   3HD1  LEU  16          2HD2      LEU  16   7.238  -6.132  -3.298
  118   1HD2  LEU  16          1HD1      LEU  16   4.261  -6.971  -4.057
  119   2HD2  LEU  16          2HD1      LEU  16   4.195  -6.047  -5.576
  120   3HD2  LEU  16          3HD1      LEU  16   5.659  -6.960  -5.163
  121    H    CYS  17           H        CYS  17   0.982  -3.585  -4.940
  122    HA   CYS  17           HA       CYS  17  -0.005  -1.626  -2.811
  123   1HB   CYS  17          1HB       CYS  17  -0.681  -1.516  -5.361
  124   2HB   CYS  17          2HB       CYS  17  -1.807  -2.838  -4.971
  125    H    ASN  18           H        ASN  18   0.058  -2.811  -1.016
  126    HA   ASN  18           HA       ASN  18  -0.414  -4.372   0.657
  127   1HB   ASN  18          1HB       ASN  18  -2.763  -4.713  -0.231
  128   2HB   ASN  18          2HB       ASN  18  -2.180  -5.997  -1.252
  129   1HD2  ASN  18          1HD2      ASN  18  -3.351  -7.977   1.463
  130   2HD2  ASN  18          2HD2      ASN  18  -3.992  -6.823   0.176
  131    H    LYS  19           H        LYS  19  -0.559  -6.736  -1.892
  132    HA   LYS  19           HA       LYS  19   2.440  -6.932  -2.206
  133   1HB   LYS  19          2HB       LYS  19   2.571  -9.353  -1.818
  134   2HB   LYS  19          1HB       LYS  19   2.099  -8.497  -0.371
  135   1HG   LYS  19          1HG       LYS  19  -0.331  -9.175  -0.771
  136   2HG   LYS  19          2HG       LYS  19   0.162 -10.111  -2.169
  137   1HD   LYS  19          2HD       LYS  19   1.156 -10.628   0.723
  138   2HD   LYS  19          1HD       LYS  19  -0.229 -11.390  -0.019
  139   1HE   LYS  19          2HE       LYS  19   1.421 -13.034  -0.246
  140   2HE   LYS  19          1HE       LYS  19   1.322 -12.347  -1.864
  141   1HZ   LYS  19          1HZ       LYS  19   3.397 -11.698   0.184
  142   2HZ   LYS  19          2HZ       LYS  19   3.611 -12.644  -1.153
  143   3HZ   LYS  19          3HZ       LYS  19   3.328 -11.026  -1.323
  144    H    ASP  20           H        ASP  20   0.562  -5.900  -3.988
  145    HA   ASP  20           HA       ASP  20   0.630  -7.878  -6.334
  146   1HB   ASP  20          1HB       ASP  20  -1.702  -6.048  -5.427
  147   2HB   ASP  20          2HB       ASP  20  -1.651  -6.935  -6.937
  148    H    GLU  21           H        GLU  21   1.681  -7.022  -8.017
  149    HA   GLU  21           HA       GLU  21   2.779  -4.398  -8.088
  150   1HB   GLU  21          1HB       GLU  21   3.545  -4.898 -10.323
  151   2HB   GLU  21          2HB       GLU  21   3.795  -6.260  -9.250
  152   1HG   GLU  21          1HG       GLU  21   1.801  -7.442 -10.316
  153   2HG   GLU  21          2HG       GLU  21   1.577  -6.073 -11.401
  154    H    CYS  22           H        CYS  22   2.156  -2.501  -8.714
  155    HA   CYS  22           HA       CYS  22  -0.512  -2.059 -10.143
  156   1HB   CYS  22          1HB       CYS  22  -0.808  -2.319  -7.655
  157   2HB   CYS  22          2HB       CYS  22   0.195  -0.864  -7.409
  158    HA   PRO  23           HA       PRO  23   2.075   1.226 -12.005
  159   1HB   PRO  23          1HB       PRO  23  -0.608   2.463 -12.834
  160   2HB   PRO  23          2HB       PRO  23   0.826   2.133 -13.828
  161   1HG   PRO  23          2HG       PRO  23  -1.298   0.465 -13.979
  162   2HG   PRO  23          1HG       PRO  23   0.336  -0.236 -13.906
  163   1HD   PRO  23          1HD       PRO  23  -1.656   0.083 -11.572
  164   2HD   PRO  23          2HD       PRO  23  -0.718  -1.331 -12.071
  165    HA   PRO  24           HA       PRO  24   2.156   5.073  -9.453
  166   1HB   PRO  24          1HB       PRO  24   2.277   6.538 -12.173
  167   2HB   PRO  24          2HB       PRO  24   3.251   6.830 -10.722
  168   1HG   PRO  24          2HG       PRO  24   4.323   5.400 -12.761
  169   2HG   PRO  24          1HG       PRO  24   4.565   4.866 -11.103
  170   1HD   PRO  24          2HD       PRO  24   2.612   3.705 -13.136
  171   2HD   PRO  24          1HD       PRO  24   3.624   2.873 -11.932
  172    H    GLY  25           H        GLY  25   0.560   6.134  -8.506
  173   1HA   GLY  25          1HA       GLY  25  -1.440   7.549  -8.336
  174   2HA   GLY  25          2HA       GLY  25  -1.848   7.280 -10.000
  175    H    GLN  26           H        GLN  26  -1.927   4.531 -10.218
  176    HA   GLN  26           HA       GLN  26  -4.543   3.947  -9.354
  177   1HB   GLN  26          1HB       GLN  26  -2.549   2.675 -11.050
  178   2HB   GLN  26          2HB       GLN  26  -2.946   1.441  -9.912
  179   1HG   GLN  26          1HG       GLN  26  -5.440   1.883 -10.394
  180   2HG   GLN  26          2HG       GLN  26  -4.929   3.016 -11.641
  181   1HE2  GLN  26          2HE2      GLN  26  -3.844   0.317 -13.854
  182   2HE2  GLN  26          1HE2      GLN  26  -3.597   2.080 -13.401
  183    H    CYS  27           H        CYS  27  -1.687   3.126  -7.399
  184    HA   CYS  27           HA       CYS  27  -3.117   1.131  -5.737
  185   1HB   CYS  27          1HB       CYS  27  -0.648   1.118  -5.914
  186   2HB   CYS  27          2HB       CYS  27  -0.550   2.675  -5.052
  187    NH1  ARG  28           NH1      ARG  28  -5.478   7.777  -6.269
  188    NH2  ARG  28           NH2      ARG  28  -6.658   7.279  -8.148
  189    H    ARG  28           H        ARG  28  -4.650   1.559  -4.362
  190    HA   ARG  28           HA       ARG  28  -4.900   4.254  -2.929
  191   1HB   ARG  28          1HB       ARG  28  -7.059   2.151  -3.605
  192   2HB   ARG  28          2HB       ARG  28  -7.340   3.682  -2.800
  193   1HG   ARG  28          2HG       ARG  28  -6.475   3.284  -5.702
  194   2HG   ARG  28          1HG       ARG  28  -8.055   3.777  -5.119
  195   1HD   ARG  28          1HD       ARG  28  -7.079   5.956  -4.255
  196   2HD   ARG  28          2HD       ARG  28  -5.468   5.445  -4.805
  197    HE   ARG  28           HE       ARG  28  -7.507   5.347  -6.974
  198   1HH1  ARG  28          2HH1      ARG  28  -5.231   7.516  -5.308
  199   2HH1  ARG  28          1HH1      ARG  28  -5.141   8.594  -6.791
  200   1HH2  ARG  28          2HH2      ARG  28  -7.310   6.642  -8.620
  201   2HH2  ARG  28          1HH2      ARG  28  -6.239   8.130  -8.537
  202    H    PHE  29           H        PHE  29  -5.450   4.307  -0.782
  203    HA   PHE  29           HA       PHE  29  -4.967   1.749   0.877
  204   1HB   PHE  29          2HB       PHE  29  -3.748   4.542   1.239
  205   2HB   PHE  29          1HB       PHE  29  -3.936   3.452   2.577
  206    HD1  PHE  29           HD1      PHE  29  -2.490   3.386  -0.951
  207    HD2  PHE  29           HD2      PHE  29  -2.138   2.011   3.116
  208    HE1  PHE  29           HE1      PHE  29  -0.361   2.326  -1.486
  209    HE2  PHE  29           HE2      PHE  29   0.019   0.971   2.557
  210    HZ   PHE  29           HZ       PHE  29   0.918   1.144   0.254
  211    HA   PRO  30           HA       PRO  30  -9.006   3.635   2.375
  212   1HB   PRO  30          2HB       PRO  30 -10.460   1.290   2.657
  213   2HB   PRO  30          1HB       PRO  30 -10.251   2.147   1.119
  214   1HG   PRO  30          1HG       PRO  30  -8.691  -0.278   2.119
  215   2HG   PRO  30          2HG       PRO  30  -9.427  -0.052   0.547
  216   1HD   PRO  30          1HD       PRO  30  -6.728   0.421   1.056
  217   2HD   PRO  30          2HD       PRO  30  -7.604   1.362  -0.180
  218    NH1  ARG  31           NH1      ARG  31 -10.838   9.784   7.490
  219    NH2  ARG  31           NH2      ARG  31  -9.217  10.601   6.120
  220    H    ARG  31           H        ARG  31  -9.877   3.697   4.405
  221    HA   ARG  31           HA       ARG  31  -7.892   3.396   6.498
  222   1HB   ARG  31          1HB       ARG  31 -10.806   4.424   6.598
  223   2HB   ARG  31          2HB       ARG  31  -9.692   4.542   7.946
  224   1HG   ARG  31          2HG       ARG  31  -8.095   5.919   6.580
  225   2HG   ARG  31          1HG       ARG  31  -9.209   5.860   5.211
  226   1HD   ARG  31          1HD       ARG  31 -10.998   6.995   6.610
  227   2HD   ARG  31          2HD       ARG  31  -9.875   7.064   7.982
  228    HE   ARG  31           HE       ARG  31  -8.566   8.328   5.700
  229   1HH1  ARG  31          2HH1      ARG  31 -11.288   8.957   7.900
  230   2HH1  ARG  31          1HH1      ARG  31 -11.091  10.765   7.649
  231   1HH2  ARG  31          1HH2      ARG  31  -8.434  10.403   5.488
  232   2HH2  ARG  31          2HH2      ARG  31  -9.584  11.525   6.374
  233    H    GLY  32           H        GLY  32  -8.288   2.725   8.696
  234   1HA   GLY  32          1HA       GLY  32  -9.021   1.295  10.446
  235   2HA   GLY  32          2HA       GLY  32 -10.410   0.862   9.477
  236    H    ASP  33           H        ASP  33 -10.473  -1.222   9.138
  237    HA   ASP  33           HA       ASP  33  -7.924  -2.885   8.658
  238   1HB   ASP  33          2HB       ASP  33  -9.252  -3.521  10.750
  239   2HB   ASP  33          1HB       ASP  33 -10.617  -3.939   9.729
  240    H    ALA  34           H        ALA  34  -8.544  -1.439   6.623
  241    HA   ALA  34           HA       ALA  34  -9.736  -3.446   4.627
  242   1HB   ALA  34          2HB       ALA  34 -11.196  -1.442   4.815
  243   2HB   ALA  34          3HB       ALA  34  -9.824  -0.372   4.412
  244   3HB   ALA  34          1HB       ALA  34 -10.435  -1.545   3.215
  245    H    ASP  35           H        ASP  35  -8.359  -4.159   3.327
  246    HA   ASP  35           HA       ASP  35  -5.502  -3.489   3.435
  247   1HB   ASP  35          1HB       ASP  35  -6.955  -5.485   1.615
  248   2HB   ASP  35          2HB       ASP  35  -5.219  -5.321   1.684
  249    HA   PRO  36           HA       PRO  36  -5.078  -0.653  -0.028
  250   1HB   PRO  36          2HB       PRO  36  -2.362  -1.728  -0.739
  251   2HB   PRO  36          1HB       PRO  36  -2.826  -0.130  -0.163
  252   1HG   PRO  36          1HG       PRO  36  -1.518  -1.956   1.459
  253   2HG   PRO  36          2HG       PRO  36  -2.683  -0.780   2.106
  254   1HD   PRO  36          1HD       PRO  36  -3.188  -3.749   1.561
  255   2HD   PRO  36          2HD       PRO  36  -3.671  -2.784   2.894
  256    OH   TYR  37           OH       TYR  37 -10.508   2.677  -3.361
  257    H    TYR  37           H        TYR  37  -6.106  -0.802  -1.908
  258    HA   TYR  37           HA       TYR  37  -5.867  -3.312  -3.644
  259   1HB   TYR  37          1HB       TYR  37  -8.049  -2.863  -4.538
  260   2HB   TYR  37          2HB       TYR  37  -8.107  -2.986  -2.812
  261    HD1  TYR  37           HD1      TYR  37  -8.462  -0.632  -5.688
  262    HD2  TYR  37           HD2      TYR  37  -8.752  -1.026  -1.422
  263    HE1  TYR  37           HE1      TYR  37  -9.621   1.532  -5.565
  264    HE2  TYR  37           HE2      TYR  37  -9.922   1.120  -1.294
  265    HH   TYR  37           HH       TYR  37 -10.594   3.035  -4.247
  266    H    CYS  38           H        CYS  38  -5.419  -3.212  -5.747
  267    HA   CYS  38           HA       CYS  38  -4.402  -0.637  -6.987
  268   1HB   CYS  38          1HB       CYS  38  -3.158  -2.846  -7.283
  269   2HB   CYS  38          2HB       CYS  38  -4.492  -3.405  -8.328
  270    H    GLU  39           H        GLU  39  -5.746   0.602  -8.081
  271    HA   GLU  39           HA       GLU  39  -8.619  -0.090  -8.218
  272   1HB   GLU  39          2HB       GLU  39  -7.657   2.065  -7.351
  273   2HB   GLU  39          1HB       GLU  39  -7.144   2.512  -8.972
  274   1HG   GLU  39          2HG       GLU  39  -9.579   2.504  -9.718
  275   2HG   GLU  39          1HG       GLU  39 -10.070   2.027  -8.093
   
  Start of MODEL          10
 Raw file had 275 H/Q atoms
  Start of MODEL   10
    1   1H    ALA   1          1H        ALA   1  11.164 -11.244 -13.764
    2   2H    ALA   1          3H        ALA   1  11.943 -11.702 -12.380
    3   3H    ALA   1          2H        ALA   1  10.678 -12.597 -12.952
    4    HA   ALA   1           HA       ALA   1   9.119 -10.833 -12.572
    5   1HB   ALA   1          2HB       ALA   1   9.465 -12.516 -10.761
    6   2HB   ALA   1          3HB       ALA   1  10.794 -11.549 -10.066
    7   3HB   ALA   1          1HB       ALA   1   9.126 -10.926 -10.054
    8    HA   PRO   2           HA       PRO   2  11.099  -6.713 -12.432
    9   1HB   PRO   2          1HB       PRO   2   8.931  -5.065 -11.937
   10   2HB   PRO   2          2HB       PRO   2   9.160  -5.949 -13.448
   11   1HG   PRO   2          2HG       PRO   2   7.408  -6.753 -11.071
   12   2HG   PRO   2          1HG       PRO   2   6.968  -6.729 -12.795
   13   1HD   PRO   2          1HD       PRO   2   7.780  -9.049 -11.495
   14   2HD   PRO   2          2HD       PRO   2   8.145  -8.777 -13.225
   15    NH1  ARG   3           NH1      ARG   3  16.991  -7.557 -11.058
   16    NH2  ARG   3           NH2      ARG   3  15.986  -6.874 -12.978
   17    H    ARG   3           H        ARG   3  12.143  -5.439 -11.007
   18    HA   ARG   3           HA       ARG   3  11.914  -6.009  -8.058
   19   1HB   ARG   3          1HB       ARG   3  14.006  -4.590  -9.817
   20   2HB   ARG   3          2HB       ARG   3  14.016  -4.423  -8.087
   21   1HG   ARG   3          1HG       ARG   3  15.593  -6.126  -8.666
   22   2HG   ARG   3          2HG       ARG   3  14.309  -6.815  -7.701
   23   1HD   ARG   3          2HD       ARG   3  14.962  -8.416  -9.425
   24   2HD   ARG   3          1HD       ARG   3  13.313  -7.920  -9.693
   25    HE   ARG   3           HE       ARG   3  13.911  -6.879 -11.782
   26   1HH1  ARG   3          1HH1      ARG   3  16.888  -7.809 -10.069
   27   2HH1  ARG   3          2HH1      ARG   3  17.862  -7.542 -11.600
   28   1HH2  ARG   3          2HH2      ARG   3  15.118  -6.611 -13.457
   29   2HH2  ARG   3          1HH2      ARG   3  16.926  -6.910 -13.386
   30    H    LEU   4           H        LEU   4  10.042  -4.975  -7.487
   31    HA   LEU   4           HA       LEU   4   9.655  -2.029  -8.019
   32   1HB   LEU   4          1HB       LEU   4   7.696  -4.224  -7.179
   33   2HB   LEU   4          2HB       LEU   4   7.297  -2.553  -7.522
   34    HG   LEU   4           HG       LEU   4   8.433  -4.538  -9.577
   35   1HD1  LEU   4          3HD1      LEU   4   6.130  -5.076  -8.846
   36   2HD1  LEU   4          1HD1      LEU   4   5.593  -3.411  -9.184
   37   3HD1  LEU   4          2HD1      LEU   4   6.118  -4.477 -10.519
   38   1HD2  LEU   4          3HD2      LEU   4   7.440  -1.649 -10.037
   39   2HD2  LEU   4          2HD2      LEU   4   9.112  -2.227 -10.240
   40   3HD2  LEU   4          1HD2      LEU   4   7.837  -2.818 -11.317
   41    HA   PRO   5           HA       PRO   5  10.027  -1.088  -3.447
   42   1HB   PRO   5          1HB       PRO   5   8.362   1.290  -4.469
   43   2HB   PRO   5          2HB       PRO   5   9.726   1.301  -3.329
   44   1HG   PRO   5          1HG       PRO   5  10.147   2.049  -5.894
   45   2HG   PRO   5          2HG       PRO   5  11.331   0.963  -5.122
   46   1HD   PRO   5          1HD       PRO   5   9.068   0.205  -7.056
   47   2HD   PRO   5          2HD       PRO   5  10.769  -0.353  -7.030
   48    H    GLN   6           H        GLN   6   8.391  -0.317  -1.753
   49    HA   GLN   6           HA       GLN   6   5.679  -1.643  -2.068
   50   1HB   GLN   6          1HB       GLN   6   7.180  -2.121  -0.017
   51   2HB   GLN   6          2HB       GLN   6   6.938  -0.453   0.467
   52   1HG   GLN   6          1HG       GLN   6   5.436  -1.835   1.735
   53   2HG   GLN   6          2HG       GLN   6   4.464  -0.849   0.658
   54   1HE2  GLN   6          2HE2      GLN   6   2.764  -3.901  -0.183
   55   2HE2  GLN   6          1HE2      GLN   6   2.698  -2.151   0.366
   56    H    CYS   7           H        CYS   7   3.919  -0.475  -2.171
   57    HA   CYS   7           HA       CYS   7   3.971   2.315  -3.058
   58   1HB   CYS   7          1HB       CYS   7   1.586   0.535  -2.258
   59   2HB   CYS   7          2HB       CYS   7   1.411   2.149  -2.974
   60    H    GLN   8           H        GLN   8   3.082   4.146  -2.186
   61    HA   GLN   8           HA       GLN   8   2.789   4.299   0.872
   62   1HB   GLN   8          1HB       GLN   8   3.847   6.509  -0.993
   63   2HB   GLN   8          2HB       GLN   8   3.611   6.636   0.744
   64   1HG   GLN   8          1HG       GLN   8   5.647   4.813  -0.669
   65   2HG   GLN   8          2HG       GLN   8   5.996   6.324   0.133
   66   1HE2  GLN   8          1HE2      GLN   8   5.816   6.385   2.504
   67   2HE2  GLN   8          2HE2      GLN   8   5.973   4.814   3.442
   68    H    GLY   9           H        GLY   9   1.663   5.941  -2.137
   69   1HA   GLY   9          1HA       GLY   9  -1.107   5.765  -1.762
   70   2HA   GLY   9          2HA       GLY   9  -0.738   7.148  -0.742
   71    H    ASP  10           H        ASP  10  -1.267   6.114  -3.873
   72    HA   ASP  10           HA       ASP  10  -1.074   6.946  -6.053
   73   1HB   ASP  10          2HB       ASP  10  -1.427   9.650  -4.638
   74   2HB   ASP  10          1HB       ASP  10  -1.366   9.443  -6.383
   75    H    ASP  11           H        ASP  11   0.922   6.106  -6.371
   76    HA   ASP  11           HA       ASP  11   3.370   7.442  -5.407
   77   1HB   ASP  11          1HB       ASP  11   2.825   4.807  -6.946
   78   2HB   ASP  11          2HB       ASP  11   4.431   5.310  -6.485
   79    H    GLN  12           H        GLN  12   5.327   7.556  -6.662
   80    HA   GLN  12           HA       GLN  12   5.025   9.066  -9.257
   81   1HB   GLN  12          1HB       GLN  12   7.555   8.370  -7.638
   82   2HB   GLN  12          2HB       GLN  12   7.545   9.308  -9.121
   83   1HG   GLN  12          1HG       GLN  12   6.131  10.151  -6.513
   84   2HG   GLN  12          2HG       GLN  12   7.705  10.689  -7.041
   85   1HE2  GLN  12          2HE2      GLN  12   4.480  12.626  -8.567
   86   2HE2  GLN  12          1HE2      GLN  12   4.342  11.289  -7.316
   87    H    GLU  13           H        GLU  13   6.595   5.974  -8.244
   88    HA   GLU  13           HA       GLU  13   6.420   5.044 -11.169
   89   1HB   GLU  13          1HB       GLU  13   8.680   4.372  -9.156
   90   2HB   GLU  13          2HB       GLU  13   8.485   3.635 -10.737
   91   1HG   GLU  13          2HG       GLU  13   8.786   5.851 -11.883
   92   2HG   GLU  13          1HG       GLU  13   9.024   6.636 -10.325
   93    H    LYS  14           H        LYS  14   6.650   2.604 -11.232
   94    HA   LYS  14           HA       LYS  14   4.222   1.486 -10.073
   95   1HB   LYS  14          1HB       LYS  14   5.224   0.907 -12.328
   96   2HB   LYS  14          2HB       LYS  14   6.519   0.018 -11.523
   97   1HG   LYS  14          2HG       LYS  14   4.805  -1.572 -10.550
   98   2HG   LYS  14          1HG       LYS  14   3.516  -0.629 -11.292
   99   1HD   LYS  14          2HD       LYS  14   4.472  -1.130 -13.586
  100   2HD   LYS  14          1HD       LYS  14   5.728  -2.121 -12.829
  101   1HE   LYS  14          1HE       LYS  14   3.938  -3.638 -11.847
  102   2HE   LYS  14          2HE       LYS  14   2.678  -2.638 -12.583
  103   1HZ   LYS  14          2HZ       LYS  14   3.617  -3.187 -14.775
  104   2HZ   LYS  14          3HZ       LYS  14   4.779  -4.134 -14.079
  105   3HZ   LYS  14          1HZ       LYS  14   3.186  -4.554 -13.954
  106    H    CYS  15           H        CYS  15   3.868   0.106  -8.418
  107    HA   CYS  15           HA       CYS  15   6.087  -0.908  -6.634
  108   1HB   CYS  15          1HB       CYS  15   5.286   0.455  -4.663
  109   2HB   CYS  15          2HB       CYS  15   5.861   1.498  -5.977
  110    H    LEU  16           H        LEU  16   5.230  -1.945  -4.708
  111    HA   LEU  16           HA       LEU  16   3.071  -3.918  -5.346
  112   1HB   LEU  16          2HB       LEU  16   4.803  -3.482  -2.837
  113   2HB   LEU  16          1HB       LEU  16   3.654  -4.783  -2.963
  114    HG   LEU  16           HG       LEU  16   6.025  -4.461  -4.903
  115   1HD1  LEU  16          3HD2      LEU  16   6.850  -4.734  -2.565
  116   2HD1  LEU  16          1HD2      LEU  16   5.822  -6.167  -2.333
  117   3HD1  LEU  16          2HD2      LEU  16   7.167  -6.206  -3.505
  118   1HD2  LEU  16          2HD1      LEU  16   4.155  -5.897  -5.808
  119   2HD2  LEU  16          1HD1      LEU  16   5.586  -6.878  -5.433
  120   3HD2  LEU  16          3HD1      LEU  16   4.187  -6.886  -4.329
  121    H    CYS  17           H        CYS  17   1.000  -3.434  -5.031
  122    HA   CYS  17           HA       CYS  17   0.100  -1.459  -2.890
  123   1HB   CYS  17          1HB       CYS  17  -0.703  -1.383  -5.379
  124   2HB   CYS  17          2HB       CYS  17  -1.762  -2.746  -4.954
  125    H    ASN  18           H        ASN  18   0.454  -2.691  -1.109
  126    HA   ASN  18           HA       ASN  18   0.070  -4.159   0.651
  127   1HB   ASN  18          1HB       ASN  18  -2.396  -4.074   0.199
  128   2HB   ASN  18          2HB       ASN  18  -2.260  -5.435  -0.891
  129   1HD2  ASN  18          1HD2      ASN  18  -2.638  -7.714   1.822
  130   2HD2  ASN  18          2HD2      ASN  18  -2.972  -7.245   0.080
  131    H    LYS  19           H        LYS  19  -0.698  -6.367  -1.978
  132    HA   LYS  19           HA       LYS  19   2.142  -7.462  -1.968
  133   1HB   LYS  19          2HB       LYS  19   1.422  -9.775  -2.049
  134   2HB   LYS  19          1HB       LYS  19   0.818  -9.020  -0.595
  135   1HG   LYS  19          1HG       LYS  19  -1.488  -8.808  -1.672
  136   2HG   LYS  19          2HG       LYS  19  -0.863  -9.591  -3.124
  137   1HD   LYS  19          2HD       LYS  19  -0.295 -11.654  -1.767
  138   2HD   LYS  19          1HD       LYS  19  -0.932 -10.869  -0.316
  139   1HE   LYS  19          2HE       LYS  19  -3.221 -10.693  -1.409
  140   2HE   LYS  19          1HE       LYS  19  -2.586 -11.466  -2.870
  141   1HZ   LYS  19          2HZ       LYS  19  -2.661 -12.721  -0.166
  142   2HZ   LYS  19          3HZ       LYS  19  -3.679 -13.063  -1.422
  143   3HZ   LYS  19          1HZ       LYS  19  -2.075 -13.442  -1.532
  144    H    ASP  20           H        ASP  20  -0.461  -6.356  -3.923
  145    HA   ASP  20           HA       ASP  20   0.406  -7.987  -6.353
  146   1HB   ASP  20          1HB       ASP  20  -2.106  -6.256  -5.861
  147   2HB   ASP  20          2HB       ASP  20  -1.732  -7.068  -7.373
  148    H    GLU  21           H        GLU  21   1.638  -7.087  -7.859
  149    HA   GLU  21           HA       GLU  21   2.680  -4.408  -7.778
  150   1HB   GLU  21          1HB       GLU  21   3.741  -4.895  -9.888
  151   2HB   GLU  21          2HB       GLU  21   3.949  -6.206  -8.741
  152   1HG   GLU  21          1HG       GLU  21   2.214  -7.566 -10.026
  153   2HG   GLU  21          2HG       GLU  21   2.023  -6.235 -11.165
  154    H    CYS  22           H        CYS  22   2.125  -2.562  -8.587
  155    HA   CYS  22           HA       CYS  22  -0.458  -2.271 -10.204
  156   1HB   CYS  22          1HB       CYS  22  -0.836  -2.354  -7.695
  157   2HB   CYS  22          2HB       CYS  22   0.119  -0.859  -7.537
  158    HA   PRO  23           HA       PRO  23   2.118   1.065 -12.132
  159   1HB   PRO  23          1HB       PRO  23  -0.636   1.999 -13.101
  160   2HB   PRO  23          2HB       PRO  23   0.877   1.859 -14.018
  161   1HG   PRO  23          2HG       PRO  23  -1.007  -0.073 -14.280
  162   2HG   PRO  23          1HG       PRO  23   0.704  -0.547 -14.138
  163   1HD   PRO  23          1HD       PRO  23  -1.446  -0.594 -11.949
  164   2HD   PRO  23          2HD       PRO  23  -0.189  -1.810 -12.345
  165    HA   PRO  24           HA       PRO  24   1.807   4.450  -9.235
  166   1HB   PRO  24          1HB       PRO  24   2.811   6.669 -10.715
  167   2HB   PRO  24          2HB       PRO  24   3.725   5.401  -9.902
  168   1HG   PRO  24          2HG       PRO  24   3.125   5.700 -12.835
  169   2HG   PRO  24          1HG       PRO  24   4.535   5.003 -12.089
  170   1HD   PRO  24          2HD       PRO  24   2.477   3.464 -13.184
  171   2HD   PRO  24          1HD       PRO  24   3.582   2.871 -11.920
  172    H    GLY  25           H        GLY  25   0.222   5.615  -8.417
  173   1HA   GLY  25          1HA       GLY  25  -1.551   7.453  -8.584
  174   2HA   GLY  25          2HA       GLY  25  -1.912   6.948 -10.219
  175    H    GLN  26           H        GLN  26  -2.250   4.283 -10.127
  176    HA   GLN  26           HA       GLN  26  -4.911   3.953  -9.106
  177   1HB   GLN  26          2HB       GLN  26  -2.901   1.761  -9.905
  178   2HB   GLN  26          1HB       GLN  26  -4.607   1.487  -9.675
  179   1HG   GLN  26          2HG       GLN  26  -5.226   2.959 -11.553
  180   2HG   GLN  26          1HG       GLN  26  -3.560   3.444 -11.789
  181   1HE2  GLN  26          2HE2      GLN  26  -4.467  -0.421 -13.010
  182   2HE2  GLN  26          1HE2      GLN  26  -5.298   0.262 -11.522
  183    H    CYS  27           H        CYS  27  -1.980   3.231  -7.221
  184    HA   CYS  27           HA       CYS  27  -3.250   1.216  -5.494
  185   1HB   CYS  27          1HB       CYS  27  -0.787   1.344  -5.812
  186   2HB   CYS  27          2HB       CYS  27  -0.731   2.863  -4.881
  187    NH1  ARG  28           NH1      ARG  28  -6.873   8.179  -5.803
  188    NH2  ARG  28           NH2      ARG  28  -7.265   7.426  -7.913
  189    H    ARG  28           H        ARG  28  -4.921   1.706  -4.321
  190    HA   ARG  28           HA       ARG  28  -5.229   4.359  -2.848
  191   1HB   ARG  28          1HB       ARG  28  -7.292   2.157  -3.501
  192   2HB   ARG  28          2HB       ARG  28  -7.652   3.666  -2.685
  193   1HG   ARG  28          1HG       ARG  28  -6.729   3.377  -5.579
  194   2HG   ARG  28          2HG       ARG  28  -8.360   3.692  -5.024
  195   1HD   ARG  28          1HD       ARG  28  -7.723   5.939  -4.145
  196   2HD   ARG  28          2HD       ARG  28  -6.010   5.646  -4.527
  197    HE   ARG  28           HE       ARG  28  -7.468   5.212  -6.968
  198   1HH1  ARG  28          1HH1      ARG  28  -6.771   7.950  -4.808
  199   2HH1  ARG  28          2HH1      ARG  28  -6.806   9.110  -6.230
  200   1HH2  ARG  28          2HH2      ARG  28  -7.456   6.627  -8.526
  201   2HH2  ARG  28          1HH2      ARG  28  -7.168   8.408  -8.194
  202    H    PHE  29           H        PHE  29  -5.725   4.441  -0.709
  203    HA   PHE  29           HA       PHE  29  -5.024   1.954   0.987
  204   1HB   PHE  29          1HB       PHE  29  -4.105   4.878   1.258
  205   2HB   PHE  29          2HB       PHE  29  -4.030   3.749   2.578
  206    HD1  PHE  29           HD1      PHE  29  -2.839   4.125  -1.015
  207    HD2  PHE  29           HD2      PHE  29  -2.152   2.282   2.817
  208    HE1  PHE  29           HE1      PHE  29  -0.765   3.126  -1.856
  209    HE2  PHE  29           HE2      PHE  29  -0.059   1.318   1.959
  210    HZ   PHE  29           HZ       PHE  29   0.613   1.707  -0.385
  211    HA   PRO  30           HA       PRO  30  -9.169   3.492   2.565
  212   1HB   PRO  30          1HB       PRO  30 -10.504   1.087   2.775
  213   2HB   PRO  30          2HB       PRO  30 -10.283   1.948   1.249
  214   1HG   PRO  30          1HG       PRO  30  -8.651  -0.403   2.297
  215   2HG   PRO  30          2HG       PRO  30  -9.330  -0.201   0.697
  216   1HD   PRO  30          1HD       PRO  30  -6.678   0.398   1.362
  217   2HD   PRO  30          2HD       PRO  30  -7.534   1.250   0.041
  218    NH1  ARG  31           NH1      ARG  31 -10.297   9.068   9.667
  219    NH2  ARG  31           NH2      ARG  31  -8.768   8.644  11.295
  220    H    ARG  31           H        ARG  31 -10.003   3.547   4.586
  221    HA   ARG  31           HA       ARG  31  -8.072   3.051   6.731
  222   1HB   ARG  31          1HB       ARG  31  -9.645   5.134   6.162
  223   2HB   ARG  31          2HB       ARG  31 -10.876   4.280   7.075
  224   1HG   ARG  31          1HG       ARG  31  -9.349   4.360   9.113
  225   2HG   ARG  31          2HG       ARG  31  -8.084   5.097   8.128
  226   1HD   ARG  31          1HD       ARG  31  -9.620   7.078   7.674
  227   2HD   ARG  31          2HD       ARG  31 -10.866   6.332   8.691
  228    HE   ARG  31           HE       ARG  31  -8.439   6.491  10.289
  229   1HH1  ARG  31          1HH1      ARG  31 -10.788   8.729   8.832
  230   2HH1  ARG  31          2HH1      ARG  31 -10.415   9.980  10.121
  231   1HH2  ARG  31          2HH2      ARG  31  -8.094   7.988  11.702
  232   2HH2  ARG  31          1HH2      ARG  31  -8.991   9.586  11.636
  233    H    GLY  32           H        GLY  32  -9.084   2.578   9.017
  234   1HA   GLY  32          1HA       GLY  32 -10.174   1.149  10.566
  235   2HA   GLY  32          2HA       GLY  32 -11.253   0.623   9.292
  236    H    ASP  33           H        ASP  33 -11.013  -1.412   8.644
  237    HA   ASP  33           HA       ASP  33  -8.300  -2.797   8.709
  238   1HB   ASP  33          2HB       ASP  33  -9.639  -3.586  10.729
  239   2HB   ASP  33          1HB       ASP  33 -10.880  -4.207   9.656
  240    H    ALA  34           H        ALA  34  -8.669  -1.693   6.579
  241    HA   ALA  34           HA       ALA  34  -9.646  -3.825   4.611
  242   1HB   ALA  34          1HB       ALA  34 -10.061  -0.781   4.294
  243   2HB   ALA  34          3HB       ALA  34 -10.430  -2.026   3.071
  244   3HB   ALA  34          2HB       ALA  34 -11.328  -2.000   4.602
  245    H    ASP  35           H        ASP  35  -8.138  -4.406   3.344
  246    HA   ASP  35           HA       ASP  35  -5.394  -3.370   3.600
  247   1HB   ASP  35          1HB       ASP  35  -6.445  -5.639   1.801
  248   2HB   ASP  35          2HB       ASP  35  -4.759  -5.199   1.940
  249    HA   PRO  36           HA       PRO  36  -5.143  -0.572   0.029
  250   1HB   PRO  36          2HB       PRO  36  -2.330  -1.706  -0.403
  251   2HB   PRO  36          1HB       PRO  36  -2.858  -0.013  -0.365
  252   1HG   PRO  36          1HG       PRO  36  -1.675  -1.106   1.829
  253   2HG   PRO  36          2HG       PRO  36  -3.089  -0.046   2.036
  254   1HD   PRO  36          1HD       PRO  36  -3.025  -3.097   2.181
  255   2HD   PRO  36          2HD       PRO  36  -3.902  -1.907   3.184
  256    OH   TYR  37           OH       TYR  37 -10.702   2.358  -3.220
  257    H    TYR  37           H        TYR  37  -5.891  -0.685  -1.970
  258    HA   TYR  37           HA       TYR  37  -5.642  -3.297  -3.564
  259   1HB   TYR  37          2HB       TYR  37  -7.885  -3.006  -4.380
  260   2HB   TYR  37          1HB       TYR  37  -7.861  -3.084  -2.651
  261    HD1  TYR  37           HD1      TYR  37  -8.518  -0.854  -5.562
  262    HD2  TYR  37           HD2      TYR  37  -8.536  -1.117  -1.276
  263    HE1  TYR  37           HE1      TYR  37  -9.855   1.211  -5.437
  264    HE2  TYR  37           HE2      TYR  37  -9.869   0.932  -1.145
  265    HH   TYR  37           HH       TYR  37 -10.879   2.562  -2.299
  266    H    CYS  38           H        CYS  38  -5.293  -3.260  -5.671
  267    HA   CYS  38           HA       CYS  38  -4.314  -0.739  -7.011
  268   1HB   CYS  38          1HB       CYS  38  -3.107  -2.951  -7.265
  269   2HB   CYS  38          2HB       CYS  38  -4.483  -3.572  -8.212
  270    H    GLU  39           H        GLU  39  -5.698   0.522  -8.010
  271    HA   GLU  39           HA       GLU  39  -8.554  -0.290  -8.409
  272   1HB   GLU  39          1HB       GLU  39  -7.751   1.821  -7.214
  273   2HB   GLU  39          2HB       GLU  39  -7.215   2.467  -8.759
  274   1HG   GLU  39          2HG       GLU  39  -9.615   2.340  -9.620
  275   2HG   GLU  39          1HG       GLU  39 -10.129   1.634  -8.090
   
  Start of MODEL          11
 Raw file had 275 H/Q atoms
  Start of MODEL   11
    1   1H    ALA   1          1H        ALA   1  14.049  -9.405 -13.964
    2   2H    ALA   1          2H        ALA   1  13.015 -10.176 -14.996
    3   3H    ALA   1          3H        ALA   1  13.213  -8.539 -15.095
    4    HA   ALA   1           HA       ALA   1  11.099  -9.060 -14.050
    5   1HB   ALA   1          1HB       ALA   1  11.695 -11.285 -13.169
    6   2HB   ALA   1          3HB       ALA   1  12.820 -10.568 -11.984
    7   3HB   ALA   1          2HB       ALA   1  11.070 -10.261 -11.863
    8    HA   PRO   2           HA       PRO   2  12.714  -5.039 -12.338
    9   1HB   PRO   2          1HB       PRO   2   9.700  -4.640 -11.872
   10   2HB   PRO   2          2HB       PRO   2  10.896  -3.477 -12.486
   11   1HG   PRO   2          1HG       PRO   2   9.266  -4.763 -14.231
   12   2HG   PRO   2          2HG       PRO   2  10.991  -4.589 -14.638
   13   1HD   PRO   2          1HD       PRO   2   9.565  -7.074 -13.538
   14   2HD   PRO   2          2HD       PRO   2  10.818  -6.943 -14.808
   15    NH1  ARG   3           NH1      ARG   3  16.411  -7.656 -11.687
   16    NH2  ARG   3           NH2      ARG   3  17.104  -5.537 -12.124
   17    H    ARG   3           H        ARG   3  13.310  -4.349 -10.361
   18    HA   ARG   3           HA       ARG   3  12.344  -5.754  -7.862
   19   1HB   ARG   3          1HB       ARG   3  14.730  -3.906  -8.480
   20   2HB   ARG   3          2HB       ARG   3  14.232  -4.240  -6.849
   21   1HG   ARG   3          2HG       ARG   3  16.034  -5.713  -7.330
   22   2HG   ARG   3          1HG       ARG   3  14.585  -6.659  -7.090
   23   1HD   ARG   3          2HD       ARG   3  15.928  -7.634  -8.872
   24   2HD   ARG   3          1HD       ARG   3  14.391  -7.095  -9.542
   25    HE   ARG   3           HE       ARG   3  16.238  -4.914  -9.975
   26   1HH1  ARG   3          1HH1      ARG   3  15.956  -8.299 -11.030
   27   2HH1  ARG   3          2HH1      ARG   3  16.793  -7.890 -12.610
   28   1HH2  ARG   3          1HH2      ARG   3  17.176  -4.565 -11.804
   29   2HH2  ARG   3          2HH2      ARG   3  17.437  -5.917 -13.016
   30    H    LEU   4           H        LEU   4  10.341  -4.902  -7.510
   31    HA   LEU   4           HA       LEU   4   9.774  -1.992  -7.730
   32   1HB   LEU   4          1HB       LEU   4   7.926  -4.339  -7.064
   33   2HB   LEU   4          2HB       LEU   4   7.444  -2.681  -7.371
   34    HG   LEU   4           HG       LEU   4   8.747  -4.571  -9.418
   35   1HD1  LEU   4          2HD1      LEU   4   6.384  -5.109  -8.850
   36   2HD1  LEU   4          1HD1      LEU   4   5.894  -3.426  -9.167
   37   3HD1  LEU   4          3HD1      LEU   4   6.482  -4.456 -10.501
   38   1HD2  LEU   4          3HD2      LEU   4   7.834  -1.646  -9.820
   39   2HD2  LEU   4          2HD2      LEU   4   9.487  -2.276 -10.000
   40   3HD2  LEU   4          1HD2      LEU   4   8.225  -2.774 -11.138
   41    HA   PRO   5           HA       PRO   5   9.960  -1.234  -3.119
   42   1HB   PRO   5          1HB       PRO   5   8.294   1.156  -4.123
   43   2HB   PRO   5          2HB       PRO   5   9.602   1.146  -2.914
   44   1HG   PRO   5          1HG       PRO   5  10.144   2.001  -5.408
   45   2HG   PRO   5          2HG       PRO   5  11.297   0.876  -4.646
   46   1HD   PRO   5          1HD       PRO   5   9.098   0.207  -6.693
   47   2HD   PRO   5          2HD       PRO   5  10.805  -0.334  -6.648
   48    H    GLN   6           H        GLN   6   8.306  -0.600  -1.459
   49    HA   GLN   6           HA       GLN   6   5.569  -1.817  -1.892
   50   1HB   GLN   6          1HB       GLN   6   7.265  -1.860   0.388
   51   2HB   GLN   6          2HB       GLN   6   6.167  -0.584   0.810
   52   1HG   GLN   6          2HG       GLN   6   5.477  -3.481   0.036
   53   2HG   GLN   6          1HG       GLN   6   5.483  -2.812   1.655
   54   1HE2  GLN   6          2HE2      GLN   6   1.954  -2.857   0.002
   55   2HE2  GLN   6          1HE2      GLN   6   3.360  -4.022  -0.184
   56    H    CYS   7           H        CYS   7   3.886  -0.556  -2.241
   57    HA   CYS   7           HA       CYS   7   4.044   2.242  -2.962
   58   1HB   CYS   7          1HB       CYS   7   1.599   0.498  -2.268
   59   2HB   CYS   7          2HB       CYS   7   1.466   2.134  -2.930
   60    H    GLN   8           H        GLN   8   3.062   4.081  -2.086
   61    HA   GLN   8           HA       GLN   8   2.917   4.203   0.984
   62   1HB   GLN   8          1HB       GLN   8   3.957   6.336  -0.983
   63   2HB   GLN   8          2HB       GLN   8   3.695   6.596   0.740
   64   1HG   GLN   8          1HG       GLN   8   5.367   4.802   1.316
   65   2HG   GLN   8          2HG       GLN   8   5.648   4.496  -0.389
   66   1HE2  GLN   8          2HE2      GLN   8   7.554   7.685   1.297
   67   2HE2  GLN   8          1HE2      GLN   8   6.391   6.627   2.248
   68    H    GLY   9           H        GLY   9   1.653   6.015  -1.892
   69   1HA   GLY   9          1HA       GLY   9  -1.132   5.938  -1.144
   70   2HA   GLY   9          2HA       GLY   9  -0.481   7.340  -0.300
   71    H    ASP  10           H        ASP  10  -1.265   5.987  -3.399
   72    HA   ASP  10           HA       ASP  10  -1.489   6.822  -5.561
   73   1HB   ASP  10          1HB       ASP  10  -2.948   8.536  -4.373
   74   2HB   ASP  10          2HB       ASP  10  -1.587   9.652  -4.360
   75    H    ASP  11           H        ASP  11   0.495   6.018  -6.118
   76    HA   ASP  11           HA       ASP  11   2.969   7.359  -5.284
   77   1HB   ASP  11          1HB       ASP  11   2.378   4.712  -6.779
   78   2HB   ASP  11          2HB       ASP  11   4.004   5.235  -6.412
   79    H    GLN  12           H        GLN  12   4.789   7.752  -6.459
   80    HA   GLN  12           HA       GLN  12   4.489   8.972  -9.201
   81   1HB   GLN  12          1HB       GLN  12   6.968   8.687  -7.387
   82   2HB   GLN  12          2HB       GLN  12   6.976   9.437  -8.980
   83   1HG   GLN  12          1HG       GLN  12   5.295  11.162  -8.227
   84   2HG   GLN  12          2HG       GLN  12   5.279  10.453  -6.621
   85   1HE2  GLN  12          2HE2      GLN  12   8.382  12.931  -7.578
   86   2HE2  GLN  12          1HE2      GLN  12   7.088  12.476  -8.800
   87    H    GLU  13           H        GLU  13   6.171   6.064  -7.834
   88    HA   GLU  13           HA       GLU  13   6.646   5.093 -10.697
   89   1HB   GLU  13          1HB       GLU  13   8.554   3.856  -9.898
   90   2HB   GLU  13          2HB       GLU  13   8.713   5.543  -9.498
   91   1HG   GLU  13          1HG       GLU  13   8.112   5.025  -7.074
   92   2HG   GLU  13          2HG       GLU  13   7.896   3.327  -7.491
   93    H    LYS  14           H        LYS  14   6.948   2.766 -10.775
   94    HA   LYS  14           HA       LYS  14   4.410   1.320 -10.215
   95   1HB   LYS  14          1HB       LYS  14   5.828   1.000 -12.303
   96   2HB   LYS  14          2HB       LYS  14   7.112   0.315 -11.320
   97   1HG   LYS  14          1HG       LYS  14   6.056  -1.518 -12.354
   98   2HG   LYS  14          2HG       LYS  14   5.550  -1.602 -10.676
   99   1HD   LYS  14          2HD       LYS  14   3.365  -0.518 -11.290
  100   2HD   LYS  14          1HD       LYS  14   3.834  -0.439 -12.979
  101   1HE   LYS  14          2HE       LYS  14   3.534  -3.056 -11.342
  102   2HE   LYS  14          1HE       LYS  14   2.267  -2.361 -12.345
  103   1HZ   LYS  14          1HZ       LYS  14   3.708  -2.629 -14.291
  104   2HZ   LYS  14          3HZ       LYS  14   4.907  -3.285 -13.364
  105   3HZ   LYS  14          2HZ       LYS  14   3.467  -4.077 -13.532
  106    H    CYS  15           H        CYS  15   3.968   0.160  -8.388
  107    HA   CYS  15           HA       CYS  15   6.137  -0.944  -6.579
  108   1HB   CYS  15          1HB       CYS  15   5.352   0.400  -4.598
  109   2HB   CYS  15          2HB       CYS  15   5.978   1.450  -5.887
  110    H    LEU  16           H        LEU  16   5.240  -2.012  -4.693
  111    HA   LEU  16           HA       LEU  16   3.058  -3.918  -5.420
  112   1HB   LEU  16          2HB       LEU  16   4.704  -3.591  -2.837
  113   2HB   LEU  16          1HB       LEU  16   3.523  -4.855  -3.048
  114    HG   LEU  16           HG       LEU  16   5.999  -4.543  -4.846
  115   1HD1  LEU  16          3HD2      LEU  16   6.645  -5.000  -2.478
  116   2HD1  LEU  16          1HD2      LEU  16   5.536  -6.390  -2.409
  117   3HD1  LEU  16          2HD2      LEU  16   6.956  -6.428  -3.487
  118   1HD2  LEU  16          2HD1      LEU  16   4.013  -6.900  -4.536
  119   2HD2  LEU  16          3HD1      LEU  16   4.134  -5.841  -5.959
  120   3HD2  LEU  16          1HD1      LEU  16   5.483  -6.913  -5.541
  121    H    CYS  17           H        CYS  17   0.981  -3.620  -5.026
  122    HA   CYS  17           HA       CYS  17   0.021  -1.622  -2.911
  123   1HB   CYS  17          1HB       CYS  17  -0.742  -1.555  -5.449
  124   2HB   CYS  17          2HB       CYS  17  -1.863  -2.850  -4.972
  125    H    ASN  18           H        ASN  18   0.602  -3.034  -1.301
  126    HA   ASN  18           HA       ASN  18   0.290  -4.526   0.446
  127   1HB   ASN  18          1HB       ASN  18  -2.211  -4.242   0.228
  128   2HB   ASN  18          2HB       ASN  18  -2.264  -5.603  -0.873
  129   1HD2  ASN  18          1HD2      ASN  18  -2.584  -7.825   1.908
  130   2HD2  ASN  18          2HD2      ASN  18  -3.013  -7.362   0.184
  131    H    LYS  19           H        LYS  19  -0.956  -6.659  -2.036
  132    HA   LYS  19           HA       LYS  19   1.669  -8.211  -2.179
  133   1HB   LYS  19          2HB       LYS  19  -1.220  -9.031  -2.886
  134   2HB   LYS  19          1HB       LYS  19   0.161 -10.076  -3.069
  135   1HG   LYS  19          1HG       LYS  19  -0.571  -8.903  -0.313
  136   2HG   LYS  19          2HG       LYS  19  -1.452 -10.222  -0.988
  137   1HD   LYS  19          1HD       LYS  19   1.613 -10.217  -0.514
  138   2HD   LYS  19          2HD       LYS  19   0.437 -10.798   0.659
  139   1HE   LYS  19          2HE       LYS  19  -0.340 -12.589  -0.967
  140   2HE   LYS  19          1HE       LYS  19   0.865 -12.046  -2.143
  141   1HZ   LYS  19          1HZ       LYS  19   1.488 -13.070   0.583
  142   2HZ   LYS  19          2HZ       LYS  19   1.680 -13.901  -0.832
  143   3HZ   LYS  19          3HZ       LYS  19   2.607 -12.569  -0.524
  144    H    ASP  20           H        ASP  20  -0.817  -6.629  -4.160
  145    HA   ASP  20           HA       ASP  20   0.232  -7.921  -6.701
  146   1HB   ASP  20          1HB       ASP  20  -2.319  -6.260  -6.175
  147   2HB   ASP  20          2HB       ASP  20  -1.866  -6.912  -7.740
  148    H    GLU  21           H        GLU  21   1.585  -6.900  -8.007
  149    HA   GLU  21           HA       GLU  21   2.525  -4.204  -7.647
  150   1HB   GLU  21          1HB       GLU  21   3.870  -4.533  -9.617
  151   2HB   GLU  21          2HB       GLU  21   3.936  -5.919  -8.546
  152   1HG   GLU  21          1HG       GLU  21   2.398  -7.198 -10.123
  153   2HG   GLU  21          2HG       GLU  21   2.353  -5.804 -11.200
  154    H    CYS  22           H        CYS  22   1.912  -2.338  -8.334
  155    HA   CYS  22           HA       CYS  22  -0.520  -2.096 -10.175
  156   1HB   CYS  22          1HB       CYS  22  -0.976  -2.120  -7.684
  157   2HB   CYS  22          2HB       CYS  22  -0.096  -0.576  -7.548
  158    HA   PRO  23           HA       PRO  23   2.038   1.191 -12.153
  159   1HB   PRO  23          1HB       PRO  23  -0.724   2.123 -13.122
  160   2HB   PRO  23          2HB       PRO  23   0.788   1.982 -14.043
  161   1HG   PRO  23          2HG       PRO  23  -1.076   0.033 -14.274
  162   2HG   PRO  23          1HG       PRO  23   0.635  -0.434 -14.106
  163   1HD   PRO  23          1HD       PRO  23  -1.532  -0.435 -11.931
  164   2HD   PRO  23          2HD       PRO  23  -0.267  -1.653 -12.293
  165    HA   PRO  24           HA       PRO  24   1.986   4.984  -9.626
  166   1HB   PRO  24          2HB       PRO  24   1.969   6.441 -12.361
  167   2HB   PRO  24          1HB       PRO  24   2.930   6.828 -10.923
  168   1HG   PRO  24          2HG       PRO  24   4.049   5.413 -12.961
  169   2HG   PRO  24          1HG       PRO  24   4.380   4.960 -11.286
  170   1HD   PRO  24          2HD       PRO  24   2.577   3.533 -13.250
  171   2HD   PRO  24          1HD       PRO  24   3.550   2.878 -11.914
  172    H    GLY  25           H        GLY  25   0.442   6.067  -8.612
  173   1HA   GLY  25          1HA       GLY  25  -1.512   7.511  -8.360
  174   2HA   GLY  25          2HA       GLY  25  -1.999   7.243 -10.014
  175    H    GLN  26           H        GLN  26  -2.123   4.483 -10.151
  176    HA   GLN  26           HA       GLN  26  -4.801   4.024  -9.153
  177   1HB   GLN  26          1HB       GLN  26  -2.778   2.015 -10.342
  178   2HB   GLN  26          2HB       GLN  26  -4.465   1.642 -10.044
  179   1HG   GLN  26          2HG       GLN  26  -5.144   3.592 -11.568
  180   2HG   GLN  26          1HG       GLN  26  -3.450   3.790 -11.995
  181   1HE2  GLN  26          2HE2      GLN  26  -5.492   1.005 -14.030
  182   2HE2  GLN  26          1HE2      GLN  26  -6.244   2.320 -12.991
  183    H    CYS  27           H        CYS  27  -1.841   3.202  -7.378
  184    HA   CYS  27           HA       CYS  27  -3.099   1.063  -5.760
  185   1HB   CYS  27          1HB       CYS  27  -0.656   1.197  -5.982
  186   2HB   CYS  27          2HB       CYS  27  -0.615   2.740  -5.089
  187    NH1  ARG  28           NH1      ARG  28  -6.311   6.962  -7.131
  188    NH2  ARG  28           NH2      ARG  28  -7.442   6.019  -8.862
  189    H    ARG  28           H        ARG  28  -4.835   1.496  -4.636
  190    HA   ARG  28           HA       ARG  28  -5.305   4.115  -3.200
  191   1HB   ARG  28          1HB       ARG  28  -7.208   1.710  -3.529
  192   2HB   ARG  28          2HB       ARG  28  -7.629   3.318  -2.962
  193   1HG   ARG  28          2HG       ARG  28  -6.868   2.502  -5.794
  194   2HG   ARG  28          1HG       ARG  28  -8.439   3.011  -5.206
  195   1HD   ARG  28          2HD       ARG  28  -7.563   5.356  -4.796
  196   2HD   ARG  28          1HD       ARG  28  -5.951   4.846  -5.345
  197    HE   ARG  28           HE       ARG  28  -8.022   4.217  -7.362
  198   1HH1  ARG  28          2HH1      ARG  28  -6.020   6.895  -6.149
  199   2HH1  ARG  28          1HH1      ARG  28  -6.088   7.718  -7.788
  200   1HH2  ARG  28          1HH2      ARG  28  -8.014   5.238  -9.203
  201   2HH2  ARG  28          2HH2      ARG  28  -7.142   6.841  -9.398
  202    H    PHE  29           H        PHE  29  -5.900   4.233  -1.040
  203    HA   PHE  29           HA       PHE  29  -4.973   1.935   0.800
  204   1HB   PHE  29          2HB       PHE  29  -4.120   4.890   0.866
  205   2HB   PHE  29          1HB       PHE  29  -4.059   3.881   2.281
  206    HD1  PHE  29           HD1      PHE  29  -2.758   4.029  -1.279
  207    HD2  PHE  29           HD2      PHE  29  -2.218   2.388   2.666
  208    HE1  PHE  29           HE1      PHE  29  -0.642   3.012  -1.981
  209    HE2  PHE  29           HE2      PHE  29  -0.090   1.390   1.944
  210    HZ   PHE  29           HZ       PHE  29   0.679   1.672  -0.380
  211    HA   PRO  30           HA       PRO  30  -9.185   3.437   2.224
  212   1HB   PRO  30          1HB       PRO  30 -10.417   0.993   2.608
  213   2HB   PRO  30          2HB       PRO  30 -10.239   1.761   1.028
  214   1HG   PRO  30          1HG       PRO  30  -8.478  -0.426   2.225
  215   2HG   PRO  30          2HG       PRO  30  -9.193  -0.391   0.628
  216   1HD   PRO  30          1HD       PRO  30  -6.569   0.395   1.140
  217   2HD   PRO  30          2HD       PRO  30  -7.514   1.151  -0.172
  218    NH1  ARG  31           NH1      ARG  31 -12.844   8.836   6.997
  219    NH2  ARG  31           NH2      ARG  31 -11.864   9.167   4.972
  220    H    ARG  31           H        ARG  31  -9.994   3.634   4.233
  221    HA   ARG  31           HA       ARG  31  -8.064   3.397   6.399
  222   1HB   ARG  31          2HB       ARG  31  -9.526   4.878   7.628
  223   2HB   ARG  31          1HB       ARG  31  -9.405   5.412   5.975
  224   1HG   ARG  31          1HG       ARG  31 -11.729   4.363   5.519
  225   2HG   ARG  31          2HG       ARG  31 -11.799   3.902   7.210
  226   1HD   ARG  31          1HD       ARG  31 -13.087   5.903   7.029
  227   2HD   ARG  31          2HD       ARG  31 -11.611   6.357   7.885
  228    HE   ARG  31           HE       ARG  31 -11.226   6.855   5.012
  229   1HH1  ARG  31          2HH1      ARG  31 -13.059   8.181   7.756
  230   2HH1  ARG  31          1HH1      ARG  31 -13.101   9.828   6.949
  231   1HH2  ARG  31          1HH2      ARG  31 -11.335   8.769   4.188
  232   2HH2  ARG  31          2HH2      ARG  31 -12.189  10.136   5.064
  233    H    GLY  32           H        GLY  32  -8.908   3.049   8.710
  234   1HA   GLY  32          1HA       GLY  32  -9.810   1.695  10.438
  235   2HA   GLY  32          2HA       GLY  32 -10.938   1.016   9.285
  236    H    ASP  33           H        ASP  33 -10.623  -1.044   8.757
  237    HA   ASP  33           HA       ASP  33  -7.844  -2.292   8.773
  238   1HB   ASP  33          2HB       ASP  33  -9.044  -3.010  10.909
  239   2HB   ASP  33          1HB       ASP  33 -10.301  -3.758   9.939
  240    H    ALA  34           H        ALA  34  -8.349  -1.368   6.595
  241    HA   ALA  34           HA       ALA  34  -9.376  -3.645   4.826
  242   1HB   ALA  34          1HB       ALA  34  -9.817  -0.630   4.319
  243   2HB   ALA  34          3HB       ALA  34 -10.241  -1.958   3.207
  244   3HB   ALA  34          2HB       ALA  34 -11.065  -1.821   4.774
  245    H    ASP  35           H        ASP  35  -7.938  -4.294   3.518
  246    HA   ASP  35           HA       ASP  35  -5.180  -3.300   3.634
  247   1HB   ASP  35          1HB       ASP  35  -6.347  -5.610   1.965
  248   2HB   ASP  35          2HB       ASP  35  -4.643  -5.211   2.013
  249    HA   PRO  36           HA       PRO  36  -4.965  -0.663  -0.066
  250   1HB   PRO  36          2HB       PRO  36  -2.173  -1.832  -0.514
  251   2HB   PRO  36          1HB       PRO  36  -2.688  -0.135  -0.498
  252   1HG   PRO  36          2HG       PRO  36  -1.450  -1.206   1.680
  253   2HG   PRO  36          1HG       PRO  36  -2.832  -0.107   1.904
  254   1HD   PRO  36          1HD       PRO  36  -2.837  -3.154   2.130
  255   2HD   PRO  36          2HD       PRO  36  -3.651  -1.915   3.125
  256    OH   TYR  37           OH       TYR  37 -10.723   1.883  -3.369
  257    H    TYR  37           H        TYR  37  -5.746  -0.877  -2.037
  258    HA   TYR  37           HA       TYR  37  -5.387  -3.491  -3.611
  259   1HB   TYR  37          1HB       TYR  37  -7.662  -3.388  -4.369
  260   2HB   TYR  37          2HB       TYR  37  -7.621  -3.414  -2.637
  261    HD1  TYR  37           HD1      TYR  37  -8.423  -1.311  -5.613
  262    HD2  TYR  37           HD2      TYR  37  -8.439  -1.451  -1.318
  263    HE1  TYR  37           HE1      TYR  37  -9.817   0.706  -5.550
  264    HE2  TYR  37           HE2      TYR  37  -9.858   0.547  -1.255
  265    HH   TYR  37           HH       TYR  37 -10.901   2.115  -2.455
  266    H    CYS  38           H        CYS  38  -5.135  -3.401  -5.757
  267    HA   CYS  38           HA       CYS  38  -4.310  -0.812  -7.054
  268   1HB   CYS  38          1HB       CYS  38  -3.098  -3.016  -7.457
  269   2HB   CYS  38          2HB       CYS  38  -4.512  -3.592  -8.375
  270    H    GLU  39           H        GLU  39  -5.611   0.391  -8.287
  271    HA   GLU  39           HA       GLU  39  -8.510  -0.159  -8.402
  272   1HB   GLU  39          2HB       GLU  39  -7.383   2.142  -8.045
  273   2HB   GLU  39          1HB       GLU  39  -6.975   2.155  -9.744
  274   1HG   GLU  39          1HG       GLU  39  -8.941   3.489  -9.511
  275   2HG   GLU  39          2HG       GLU  39  -9.498   2.019 -10.285
   
  Start of MODEL          12
 Raw file had 275 H/Q atoms
  Start of MODEL   12
    1   1H    ALA   1          3H        ALA   1  17.565  -7.849 -12.120
    2   2H    ALA   1          2H        ALA   1  17.803  -8.093 -10.503
    3   3H    ALA   1          1H        ALA   1  18.181  -9.285 -11.583
    4    HA   ALA   1           HA       ALA   1  15.902  -9.581 -12.215
    5   1HB   ALA   1          3HB       ALA   1  16.801 -10.995 -10.372
    6   2HB   ALA   1          2HB       ALA   1  16.353  -9.765  -9.159
    7   3HB   ALA   1          1HB       ALA   1  15.092 -10.625 -10.074
    8    HA   PRO   2           HA       PRO   2  13.418  -5.827 -11.414
    9   1HB   PRO   2          1HB       PRO   2  10.944  -6.580 -12.390
   10   2HB   PRO   2          2HB       PRO   2  12.364  -6.298 -13.402
   11   1HG   PRO   2          2HG       PRO   2  11.284  -8.982 -12.411
   12   2HG   PRO   2          1HG       PRO   2  11.795  -8.552 -14.060
   13   1HD   PRO   2          1HD       PRO   2  13.457  -9.897 -12.276
   14   2HD   PRO   2          2HD       PRO   2  14.119  -8.777 -13.501
   15    NH1  ARG   3           NH1      ARG   3  12.382  -9.215  -3.008
   16    NH2  ARG   3           NH2      ARG   3  12.080  -8.015  -1.102
   17    H    ARG   3           H        ARG   3  12.964  -5.188  -9.433
   18    HA   ARG   3           HA       ARG   3  10.973  -6.687  -7.666
   19   1HB   ARG   3          1HB       ARG   3  13.366  -7.183  -7.026
   20   2HB   ARG   3          2HB       ARG   3  13.665  -5.468  -6.762
   21   1HG   ARG   3          2HG       ARG   3  11.897  -5.446  -4.957
   22   2HG   ARG   3          1HG       ARG   3  11.557  -7.153  -5.268
   23   1HD   ARG   3          2HD       ARG   3  13.978  -7.726  -4.625
   24   2HD   ARG   3          1HD       ARG   3  14.268  -6.024  -4.301
   25    HE   ARG   3           HE       ARG   3  12.979  -6.122  -2.264
   26   1HH1  ARG   3          1HH1      ARG   3  12.702  -9.224  -3.983
   27   2HH1  ARG   3          2HH1      ARG   3  11.993 -10.005  -2.482
   28   1HH2  ARG   3          1HH2      ARG   3  12.166  -7.113  -0.622
   29   2HH2  ARG   3          2HH2      ARG   3  11.711  -8.888  -0.709
   30    H    LEU   4           H        LEU   4   9.294  -5.361  -7.511
   31    HA   LEU   4           HA       LEU   4   9.434  -2.436  -7.885
   32   1HB   LEU   4          1HB       LEU   4   7.081  -4.219  -7.067
   33   2HB   LEU   4          2HB       LEU   4   6.999  -2.522  -7.488
   34    HG   LEU   4           HG       LEU   4   7.791  -4.782  -9.405
   35   1HD1  LEU   4          1HD1      LEU   4   5.370  -4.690  -8.764
   36   2HD1  LEU   4          3HD1      LEU   4   5.271  -2.994  -9.267
   37   3HD1  LEU   4          2HD1      LEU   4   5.593  -4.271 -10.475
   38   1HD2  LEU   4          1HD2      LEU   4   7.506  -1.763 -10.025
   39   2HD2  LEU   4          3HD2      LEU   4   9.008  -2.712 -10.110
   40   3HD2  LEU   4          2HD2      LEU   4   7.686  -3.052 -11.238
   41    HA   PRO   5           HA       PRO   5   9.817  -1.319  -3.335
   42   1HB   PRO   5          1HB       PRO   5   8.614   1.243  -4.539
   43   2HB   PRO   5          2HB       PRO   5   9.932   1.089  -3.351
   44   1HG   PRO   5          1HG       PRO   5  10.542   1.617  -5.935
   45   2HG   PRO   5          2HG       PRO   5  11.504   0.392  -5.070
   46   1HD   PRO   5          1HD       PRO   5   9.194  -0.078  -7.042
   47   2HD   PRO   5          2HD       PRO   5  10.778  -0.907  -6.934
   48    H    GLN   6           H        GLN   6   8.269  -0.462  -1.672
   49    HA   GLN   6           HA       GLN   6   5.407  -1.346  -2.201
   50   1HB   GLN   6          1HB       GLN   6   6.479  -2.353  -0.282
   51   2HB   GLN   6          2HB       GLN   6   6.900  -0.799   0.419
   52   1HG   GLN   6          1HG       GLN   6   5.038  -1.839   1.610
   53   2HG   GLN   6          2HG       GLN   6   4.556  -0.303   0.920
   54   1HE2  GLN   6          2HE2      GLN   6   2.759  -3.726  -0.578
   55   2HE2  GLN   6          1HE2      GLN   6   4.490  -3.784   0.034
   56    H    CYS   7           H        CYS   7   3.833  -0.020  -2.243
   57    HA   CYS   7           HA       CYS   7   4.196   2.892  -2.710
   58   1HB   CYS   7          1HB       CYS   7   1.884   0.980  -3.031
   59   2HB   CYS   7          2HB       CYS   7   1.445   2.629  -2.620
   60    H    GLN   8           H        GLN   8   3.265   4.586  -1.655
   61    HA   GLN   8           HA       GLN   8   2.489   4.250   1.290
   62   1HB   GLN   8          1HB       GLN   8   3.345   6.456   1.795
   63   2HB   GLN   8          2HB       GLN   8   4.592   5.406   1.144
   64   1HG   GLN   8          2HG       GLN   8   4.367   6.606  -1.124
   65   2HG   GLN   8          1HG       GLN   8   3.205   7.696  -0.392
   66   1HE2  GLN   8          2HE2      GLN   8   7.170   8.346   0.344
   67   2HE2  GLN   8          1HE2      GLN   8   6.587   6.894  -0.616
   68    H    GLY   9           H        GLY   9   1.666   6.169  -1.657
   69   1HA   GLY   9          1HA       GLY   9  -1.175   6.062  -1.345
   70   2HA   GLY   9          2HA       GLY   9  -0.700   7.457  -0.375
   71    H    ASP  10           H        ASP  10  -1.013   6.194  -3.576
   72    HA   ASP  10           HA       ASP  10  -0.979   7.096  -5.718
   73   1HB   ASP  10          1HB       ASP  10  -2.565   8.767  -4.683
   74   2HB   ASP  10          2HB       ASP  10  -1.222   9.874  -4.426
   75    H    ASP  11           H        ASP  11   1.070   6.279  -6.037
   76    HA   ASP  11           HA       ASP  11   3.502   7.962  -5.463
   77   1HB   ASP  11          1HB       ASP  11   3.039   4.987  -6.170
   78   2HB   ASP  11          2HB       ASP  11   4.637   5.685  -6.117
   79    H    GLN  12           H        GLN  12   5.244   8.118  -6.863
   80    HA   GLN  12           HA       GLN  12   4.580   8.839  -9.691
   81   1HB   GLN  12          2HB       GLN  12   7.257   8.876  -8.170
   82   2HB   GLN  12          1HB       GLN  12   7.074   9.406  -9.842
   83   1HG   GLN  12          1HG       GLN  12   5.415  11.166  -9.141
   84   2HG   GLN  12          2HG       GLN  12   5.577  10.681  -7.462
   85   1HE2  GLN  12          2HE2      GLN  12   8.674  12.497  -7.058
   86   2HE2  GLN  12          1HE2      GLN  12   7.458  11.334  -6.322
   87    H    GLU  13           H        GLU  13   6.354   6.095  -8.204
   88    HA   GLU  13           HA       GLU  13   6.806   4.935 -11.019
   89   1HB   GLU  13          1HB       GLU  13   8.356   4.264  -8.435
   90   2HB   GLU  13          2HB       GLU  13   8.657   3.595 -10.023
   91   1HG   GLU  13          2HG       GLU  13   9.093   6.541  -9.253
   92   2HG   GLU  13          1HG       GLU  13  10.329   5.311  -9.412
   93    H    LYS  14           H        LYS  14   6.920   2.561 -11.042
   94    HA   LYS  14           HA       LYS  14   4.274   1.469 -10.259
   95   1HB   LYS  14          1HB       LYS  14   5.510   0.955 -12.463
   96   2HB   LYS  14          2HB       LYS  14   6.615  -0.071 -11.547
   97   1HG   LYS  14          2HG       LYS  14   4.546  -1.421 -10.762
   98   2HG   LYS  14          1HG       LYS  14   3.559  -0.403 -11.799
   99   1HD   LYS  14          2HD       LYS  14   4.856  -1.193 -13.819
  100   2HD   LYS  14          1HD       LYS  14   5.851  -2.213 -12.771
  101   1HE   LYS  14          2HE       LYS  14   3.750  -3.467 -12.020
  102   2HE   LYS  14          1HE       LYS  14   2.775  -2.460 -13.097
  103   1HZ   LYS  14          1HZ       LYS  14   4.069  -3.329 -14.980
  104   2HZ   LYS  14          3HZ       LYS  14   4.979  -4.269 -13.971
  105   3HZ   LYS  14          2HZ       LYS  14   3.361  -4.560 -14.136
  106    H    CYS  15           H        CYS  15   3.842  -0.026  -8.650
  107    HA   CYS  15           HA       CYS  15   6.026  -0.769  -6.662
  108   1HB   CYS  15          1HB       CYS  15   4.945   0.517  -4.854
  109   2HB   CYS  15          2HB       CYS  15   5.234   1.629  -6.204
  110    H    LEU  16           H        LEU  16   5.202  -1.947  -4.849
  111    HA   LEU  16           HA       LEU  16   3.019  -3.962  -5.360
  112   1HB   LEU  16          2HB       LEU  16   4.685  -3.388  -2.832
  113   2HB   LEU  16          1HB       LEU  16   3.525  -4.691  -2.963
  114    HG   LEU  16           HG       LEU  16   6.034  -4.466  -4.727
  115   1HD1  LEU  16          1HD1      LEU  16   6.657  -4.691  -2.329
  116   2HD1  LEU  16          3HD1      LEU  16   5.595  -6.107  -2.148
  117   3HD1  LEU  16          2HD1      LEU  16   7.031  -6.188  -3.206
  118   1HD2  LEU  16          1HD2      LEU  16   4.078  -6.826  -4.276
  119   2HD2  LEU  16          2HD2      LEU  16   4.244  -5.878  -5.774
  120   3HD2  LEU  16          3HD2      LEU  16   5.588  -6.899  -5.227
  121    H    CYS  17           H        CYS  17   1.002  -3.713  -4.720
  122    HA   CYS  17           HA       CYS  17   0.182  -1.476  -2.763
  123   1HB   CYS  17          1HB       CYS  17  -0.617  -1.396  -5.273
  124   2HB   CYS  17          2HB       CYS  17  -1.726  -2.713  -4.828
  125    H    ASN  18           H        ASN  18   0.529  -2.752  -0.984
  126    HA   ASN  18           HA       ASN  18   0.187  -4.298   0.713
  127   1HB   ASN  18          1HB       ASN  18  -2.300  -4.120   0.343
  128   2HB   ASN  18          2HB       ASN  18  -2.233  -5.457  -0.785
  129   1HD2  ASN  18          1HD2      ASN  18  -2.597  -7.781   1.894
  130   2HD2  ASN  18          2HD2      ASN  18  -2.952  -7.276   0.166
  131    H    LYS  19           H        LYS  19  -0.771  -6.410  -1.935
  132    HA   LYS  19           HA       LYS  19   2.064  -7.146  -2.532
  133   1HB   LYS  19          1HB       LYS  19   1.875  -9.580  -2.287
  134   2HB   LYS  19          2HB       LYS  19   1.687  -8.761  -0.756
  135   1HG   LYS  19          1HG       LYS  19  -0.859  -9.070  -0.946
  136   2HG   LYS  19          2HG       LYS  19  -0.605  -9.999  -2.419
  137   1HD   LYS  19          2HD       LYS  19   0.809 -11.662  -1.136
  138   2HD   LYS  19          1HD       LYS  19   0.569 -10.725   0.344
  139   1HE   LYS  19          1HE       LYS  19  -1.942 -11.108   0.183
  140   2HE   LYS  19          2HE       LYS  19  -1.704 -12.049  -1.297
  141   1HZ   LYS  19          2HZ       LYS  19  -0.569 -12.742   1.372
  142   2HZ   LYS  19          3HZ       LYS  19  -1.859 -13.475   0.647
  143   3HZ   LYS  19          1HZ       LYS  19  -0.350 -13.622  -0.009
  144    H    ASP  20           H        ASP  20   0.299  -5.690  -4.018
  145    HA   ASP  20           HA       ASP  20  -0.272  -7.478  -6.453
  146   1HB   ASP  20          1HB       ASP  20  -1.831  -5.007  -5.446
  147   2HB   ASP  20          2HB       ASP  20  -2.138  -5.858  -6.945
  148    H    GLU  21           H        GLU  21   1.154  -6.999  -8.050
  149    HA   GLU  21           HA       GLU  21   2.782  -4.624  -8.169
  150   1HB   GLU  21          1HB       GLU  21   2.153  -6.759 -10.336
  151   2HB   GLU  21          2HB       GLU  21   3.428  -5.567 -10.397
  152   1HG   GLU  21          1HG       GLU  21   4.399  -6.599  -8.205
  153   2HG   GLU  21          2HG       GLU  21   3.222  -7.886  -8.389
  154    H    CYS  22           H        CYS  22   2.141  -2.699  -8.685
  155    HA   CYS  22           HA       CYS  22  -0.448  -2.267 -10.247
  156   1HB   CYS  22          1HB       CYS  22  -0.588  -2.305  -7.718
  157   2HB   CYS  22          2HB       CYS  22   0.417  -0.839  -7.667
  158    HA   PRO  23           HA       PRO  23   1.940   1.037 -12.457
  159   1HB   PRO  23          1HB       PRO  23  -0.921   1.995 -13.044
  160   2HB   PRO  23          2HB       PRO  23   0.468   1.896 -14.147
  161   1HG   PRO  23          2HG       PRO  23  -1.421  -0.046 -14.219
  162   2HG   PRO  23          1HG       PRO  23   0.296  -0.515 -14.293
  163   1HD   PRO  23          1HD       PRO  23  -1.577  -0.616 -11.866
  164   2HD   PRO  23          2HD       PRO  23  -0.366  -1.813 -12.424
  165    HA   PRO  24           HA       PRO  24   2.107   4.705  -9.715
  166   1HB   PRO  24          1HB       PRO  24   2.022   6.284 -12.381
  167   2HB   PRO  24          2HB       PRO  24   3.064   6.567 -10.977
  168   1HG   PRO  24          2HG       PRO  24   4.044   5.229 -13.128
  169   2HG   PRO  24          1HG       PRO  24   4.424   4.664 -11.502
  170   1HD   PRO  24          2HD       PRO  24   2.443   3.449 -13.450
  171   2HD   PRO  24          1HD       PRO  24   3.489   2.658 -12.249
  172    H    GLY  25           H        GLY  25   0.692   5.895  -8.623
  173   1HA   GLY  25          1HA       GLY  25  -1.200   7.347  -8.213
  174   2HA   GLY  25          2HA       GLY  25  -1.734   7.221  -9.869
  175    H    GLN  26           H        GLN  26  -1.906   4.358 -10.012
  176    HA   GLN  26           HA       GLN  26  -4.627   3.975  -9.114
  177   1HB   GLN  26          1HB       GLN  26  -2.607   1.817 -10.014
  178   2HB   GLN  26          2HB       GLN  26  -4.336   1.584  -9.930
  179   1HG   GLN  26          2HG       GLN  26  -2.909   3.534 -11.843
  180   2HG   GLN  26          1HG       GLN  26  -3.444   1.921 -12.241
  181   1HE2  GLN  26          2HE2      GLN  26  -6.834   2.983 -12.818
  182   2HE2  GLN  26          1HE2      GLN  26  -5.611   1.615 -12.793
  183    H    CYS  27           H        CYS  27  -1.743   3.203  -7.233
  184    HA   CYS  27           HA       CYS  27  -3.039   1.135  -5.558
  185   1HB   CYS  27          1HB       CYS  27  -0.594   1.250  -5.797
  186   2HB   CYS  27          2HB       CYS  27  -0.541   2.816  -4.937
  187    NH1  ARG  28           NH1      ARG  28  -5.379   7.879  -5.972
  188    NH2  ARG  28           NH2      ARG  28  -6.574   7.659  -7.889
  189    H    ARG  28           H        ARG  28  -4.718   1.578  -4.378
  190    HA   ARG  28           HA       ARG  28  -5.090   4.247  -2.935
  191   1HB   ARG  28          1HB       ARG  28  -7.137   2.114  -3.838
  192   2HB   ARG  28          2HB       ARG  28  -7.540   3.567  -2.949
  193   1HG   ARG  28          1HG       ARG  28  -6.465   3.422  -5.809
  194   2HG   ARG  28          2HG       ARG  28  -8.090   3.841  -5.299
  195   1HD   ARG  28          1HD       ARG  28  -7.195   5.951  -4.174
  196   2HD   ARG  28          2HD       ARG  28  -5.556   5.508  -4.692
  197    HE   ARG  28           HE       ARG  28  -7.524   5.650  -6.940
  198   1HH1  ARG  28          2HH1      ARG  28  -5.154   7.504  -5.044
  199   2HH1  ARG  28          1HH1      ARG  28  -4.990   8.724  -6.404
  200   1HH2  ARG  28          1HH2      ARG  28  -7.262   7.119  -8.426
  201   2HH2  ARG  28          2HH2      ARG  28  -6.102   8.520  -8.185
  202    H    PHE  29           H        PHE  29  -5.674   4.344  -0.856
  203    HA   PHE  29           HA       PHE  29  -5.028   1.874   0.872
  204   1HB   PHE  29          2HB       PHE  29  -4.180   4.819   1.173
  205   2HB   PHE  29          1HB       PHE  29  -4.077   3.667   2.473
  206    HD1  PHE  29           HD1      PHE  29  -2.862   4.211  -1.079
  207    HD2  PHE  29           HD2      PHE  29  -2.189   2.187   2.662
  208    HE1  PHE  29           HE1      PHE  29  -0.772   3.281  -1.949
  209    HE2  PHE  29           HE2      PHE  29  -0.088   1.270   1.770
  210    HZ   PHE  29           HZ       PHE  29   0.594   1.768  -0.547
  211    HA   PRO  30           HA       PRO  30  -9.204   3.372   2.393
  212   1HB   PRO  30          1HB       PRO  30 -10.494   0.956   2.673
  213   2HB   PRO  30          2HB       PRO  30 -10.239   1.741   1.112
  214   1HG   PRO  30          1HG       PRO  30  -8.601  -0.517   2.335
  215   2HG   PRO  30          2HG       PRO  30  -9.227  -0.415   0.704
  216   1HD   PRO  30          1HD       PRO  30  -6.610   0.278   1.445
  217   2HD   PRO  30          2HD       PRO  30  -7.424   1.017   0.032
  218    NH1  ARG  31           NH1      ARG  31 -12.360   6.433   8.878
  219    NH2  ARG  31           NH2      ARG  31 -10.901   7.354  10.355
  220    H    ARG  31           H        ARG  31 -10.150   3.419   4.383
  221    HA   ARG  31           HA       ARG  31  -8.265   3.225   6.604
  222   1HB   ARG  31          1HB       ARG  31 -11.200   4.195   6.470
  223   2HB   ARG  31          2HB       ARG  31 -10.193   4.353   7.894
  224   1HG   ARG  31          2HG       ARG  31  -8.521   5.757   6.616
  225   2HG   ARG  31          1HG       ARG  31  -9.535   5.639   5.188
  226   1HD   ARG  31          2HD       ARG  31 -10.013   7.762   6.152
  227   2HD   ARG  31          1HD       ARG  31 -11.442   6.791   6.416
  228    HE   ARG  31           HE       ARG  31  -9.387   7.663   8.526
  229   1HH1  ARG  31          2HH1      ARG  31 -12.554   6.162   7.907
  230   2HH1  ARG  31          1HH1      ARG  31 -12.984   6.316   9.685
  231   1HH2  ARG  31          2HH2      ARG  31  -9.984   7.785  10.516
  232   2HH2  ARG  31          1HH2      ARG  31 -11.626   7.172  11.058
  233    H    GLY  32           H        GLY  32  -8.976   2.655   8.824
  234   1HA   GLY  32          1HA       GLY  32  -9.876   1.258  10.510
  235   2HA   GLY  32          2HA       GLY  32 -11.090   0.719   9.372
  236    H    ASP  33           H        ASP  33 -10.953  -1.339   8.768
  237    HA   ASP  33           HA       ASP  33  -8.282  -2.837   8.764
  238   1HB   ASP  33          2HB       ASP  33  -9.673  -3.518  10.794
  239   2HB   ASP  33          1HB       ASP  33 -10.941  -4.082   9.719
  240    H    ALA  34           H        ALA  34  -8.666  -1.679   6.614
  241    HA   ALA  34           HA       ALA  34  -9.609  -3.851   4.679
  242   1HB   ALA  34          1HB       ALA  34 -10.064  -0.818   4.309
  243   2HB   ALA  34          3HB       ALA  34 -10.410  -2.087   3.104
  244   3HB   ALA  34          2HB       ALA  34 -11.317  -2.048   4.630
  245    H    ASP  35           H        ASP  35  -8.098  -4.420   3.409
  246    HA   ASP  35           HA       ASP  35  -5.362  -3.368   3.682
  247   1HB   ASP  35          1HB       ASP  35  -6.403  -5.663   1.910
  248   2HB   ASP  35          2HB       ASP  35  -4.715  -5.215   2.028
  249    HA   PRO  36           HA       PRO  36  -5.064  -0.622   0.057
  250   1HB   PRO  36          2HB       PRO  36  -2.249  -1.757  -0.319
  251   2HB   PRO  36          1HB       PRO  36  -2.781  -0.066  -0.295
  252   1HG   PRO  36          1HG       PRO  36  -1.609  -1.156   1.911
  253   2HG   PRO  36          2HG       PRO  36  -3.017  -0.083   2.105
  254   1HD   PRO  36          1HD       PRO  36  -2.979  -3.131   2.274
  255   2HD   PRO  36          2HD       PRO  36  -3.850  -1.925   3.263
  256    OH   TYR  37           OH       TYR  37 -10.504   2.199  -3.220
  257    H    TYR  37           H        TYR  37  -5.686  -0.744  -1.993
  258    HA   TYR  37           HA       TYR  37  -5.395  -3.380  -3.543
  259   1HB   TYR  37          2HB       TYR  37  -7.651  -3.162  -4.368
  260   2HB   TYR  37          1HB       TYR  37  -7.634  -3.240  -2.637
  261    HD1  TYR  37           HD1      TYR  37  -8.340  -1.033  -5.552
  262    HD2  TYR  37           HD2      TYR  37  -8.357  -1.278  -1.265
  263    HE1  TYR  37           HE1      TYR  37  -9.669   1.035  -5.435
  264    HE2  TYR  37           HE2      TYR  37  -9.687   0.775  -1.145
  265    HH   TYR  37           HH       TYR  37 -10.666   2.518  -4.111
  266    H    CYS  38           H        CYS  38  -5.028  -3.320  -5.645
  267    HA   CYS  38           HA       CYS  38  -4.253  -0.724  -7.012
  268   1HB   CYS  38          1HB       CYS  38  -2.859  -2.859  -7.247
  269   2HB   CYS  38          2HB       CYS  38  -4.181  -3.564  -8.209
  270    H    GLU  39           H        GLU  39  -5.876   0.388  -7.935
  271    HA   GLU  39           HA       GLU  39  -8.579  -0.752  -8.244
  272   1HB   GLU  39          1HB       GLU  39  -9.382   1.426  -8.671
  273   2HB   GLU  39          2HB       GLU  39  -8.181   1.542  -7.405
  274   1HG   GLU  39          2HG       GLU  39  -6.500   2.356  -9.205
  275   2HG   GLU  39          1HG       GLU  39  -7.827   2.382 -10.353
   
  Start of MODEL          13
 Raw file had 275 H/Q atoms
  Start of MODEL   13
    1   1H    ALA   1          3H        ALA   1   9.295  -9.461 -15.368
    2   2H    ALA   1          2H        ALA   1  10.495 -10.480 -14.866
    3   3H    ALA   1          1H        ALA   1   8.991 -11.076 -15.200
    4    HA   ALA   1           HA       ALA   1   8.002  -9.881 -13.364
    5   1HB   ALA   1          1HB       ALA   1   8.753 -12.200 -12.958
    6   2HB   ALA   1          3HB       ALA   1  10.401 -11.650 -12.563
    7   3HB   ALA   1          2HB       ALA   1   9.035 -11.214 -11.510
    8    HA   PRO   2           HA       PRO   2  11.006  -6.350 -12.704
    9   1HB   PRO   2          2HB       PRO   2   9.220  -4.340 -12.061
   10   2HB   PRO   2          1HB       PRO   2   9.445  -4.959 -13.707
   11   1HG   PRO   2          1HG       PRO   2   7.262  -5.729 -11.705
   12   2HG   PRO   2          2HG       PRO   2   7.060  -5.272 -13.412
   13   1HD   PRO   2          1HD       PRO   2   7.149  -7.917 -12.578
   14   2HD   PRO   2          2HD       PRO   2   7.796  -7.430 -14.174
   15    NH1  ARG   3           NH1      ARG   3  18.146  -7.467  -7.651
   16    NH2  ARG   3           NH2      ARG   3  17.317  -7.275  -5.542
   17    H    ARG   3           H        ARG   3  12.062  -5.541 -10.947
   18    HA   ARG   3           HA       ARG   3  11.316  -6.516  -8.196
   19   1HB   ARG   3          1HB       ARG   3  13.828  -5.098  -9.282
   20   2HB   ARG   3          2HB       ARG   3  13.578  -5.521  -7.603
   21   1HG   ARG   3          1HG       ARG   3  13.359  -7.982  -8.235
   22   2HG   ARG   3          2HG       ARG   3  13.636  -7.549  -9.913
   23   1HD   ARG   3          1HD       ARG   3  15.733  -8.343  -9.108
   24   2HD   ARG   3          2HD       ARG   3  15.922  -6.597  -9.291
   25    HE   ARG   3           HE       ARG   3  15.126  -7.196  -6.518
   26   1HH1  ARG   3          2HH1      ARG   3  17.948  -7.519  -8.656
   27   2HH1  ARG   3          1HH1      ARG   3  19.069  -7.497  -7.204
   28   1HH2  ARG   3          1HH2      ARG   3  16.491  -7.183  -4.941
   29   2HH2  ARG   3          2HH2      ARG   3  18.296  -7.320  -5.240
   30    H    LEU   4           H        LEU   4   9.611  -5.276  -7.599
   31    HA   LEU   4           HA       LEU   4   9.611  -2.289  -7.910
   32   1HB   LEU   4          1HB       LEU   4   7.405  -4.281  -7.180
   33   2HB   LEU   4          2HB       LEU   4   7.194  -2.555  -7.381
   34    HG   LEU   4           HG       LEU   4   8.104  -4.458  -9.616
   35   1HD1  LEU   4          3HD1      LEU   4   5.759  -4.819  -8.903
   36   2HD1  LEU   4          1HD1      LEU   4   5.379  -3.097  -9.104
   37   3HD1  LEU   4          2HD1      LEU   4   5.808  -4.099 -10.522
   38   1HD2  LEU   4          3HD2      LEU   4   7.432  -1.447  -9.771
   39   2HD2  LEU   4          2HD2      LEU   4   9.016  -2.192 -10.088
   40   3HD2  LEU   4          1HD2      LEU   4   7.659  -2.517 -11.176
   41    HA   PRO   5           HA       PRO   5  10.058  -1.508  -3.314
   42   1HB   PRO   5          1HB       PRO   5   8.630   1.045  -4.265
   43   2HB   PRO   5          2HB       PRO   5   9.997   0.892  -3.138
   44   1HG   PRO   5          2HG       PRO   5  10.465   1.673  -5.687
   45   2HG   PRO   5          1HG       PRO   5  11.551   0.466  -4.953
   46   1HD   PRO   5          1HD       PRO   5   9.219  -0.035  -6.888
   47   2HD   PRO   5          2HD       PRO   5  10.866  -0.740  -6.890
   48    H    GLN   6           H        GLN   6   8.453  -0.565  -1.619
   49    HA   GLN   6           HA       GLN   6   5.693  -1.771  -1.977
   50   1HB   GLN   6          1HB       GLN   6   7.122  -2.347   0.049
   51   2HB   GLN   6          2HB       GLN   6   6.989  -0.685   0.593
   52   1HG   GLN   6          1HG       GLN   6   5.400  -2.000   1.820
   53   2HG   GLN   6          2HG       GLN   6   4.466  -0.979   0.742
   54   1HE2  GLN   6          2HE2      GLN   6   2.695  -3.998  -0.097
   55   2HE2  GLN   6          1HE2      GLN   6   2.665  -2.260   0.493
   56    H    CYS   7           H        CYS   7   3.963  -0.589  -1.926
   57    HA   CYS   7           HA       CYS   7   4.043   2.224  -2.847
   58   1HB   CYS   7          1HB       CYS   7   1.638   0.468  -2.063
   59   2HB   CYS   7          2HB       CYS   7   1.482   2.100  -2.733
   60    H    GLN   8           H        GLN   8   3.328   4.068  -1.896
   61    HA   GLN   8           HA       GLN   8   3.168   4.136   1.169
   62   1HB   GLN   8          2HB       GLN   8   4.221   6.274  -0.777
   63   2HB   GLN   8          1HB       GLN   8   4.002   6.523   0.955
   64   1HG   GLN   8          2HG       GLN   8   5.639   4.670   1.456
   65   2HG   GLN   8          1HG       GLN   8   5.879   4.389  -0.259
   66   1HE2  GLN   8          2HE2      GLN   8   8.153   7.174  -0.581
   67   2HE2  GLN   8          1HE2      GLN   8   7.193   5.858  -1.429
   68    H    GLY   9           H        GLY   9   1.913   6.097  -1.631
   69   1HA   GLY   9          1HA       GLY   9  -0.873   5.994  -0.615
   70   2HA   GLY   9          2HA       GLY   9  -0.122   7.505  -0.130
   71    H    ASP  10           H        ASP  10  -1.025   5.525  -2.930
   72    HA   ASP  10           HA       ASP  10  -1.369   5.942  -5.186
   73   1HB   ASP  10          1HB       ASP  10  -2.131   8.782  -4.290
   74   2HB   ASP  10          2HB       ASP  10  -2.402   8.080  -5.878
   75    H    ASP  11           H        ASP  11   0.657   5.537  -5.800
   76    HA   ASP  11           HA       ASP  11   2.839   7.303  -5.105
   77   1HB   ASP  11          1HB       ASP  11   2.674   4.567  -6.549
   78   2HB   ASP  11          2HB       ASP  11   4.204   5.345  -6.228
   79    H    GLN  12           H        GLN  12   4.709   7.719  -6.361
   80    HA   GLN  12           HA       GLN  12   4.161   9.112  -8.987
   81   1HB   GLN  12          2HB       GLN  12   6.715   8.948  -7.278
   82   2HB   GLN  12          1HB       GLN  12   6.622   9.790  -8.825
   83   1HG   GLN  12          1HG       GLN  12   4.798  11.299  -7.917
   84   2HG   GLN  12          2HG       GLN  12   4.910  10.498  -6.360
   85   1HE2  GLN  12          2HE2      GLN  12   7.681  13.357  -7.219
   86   2HE2  GLN  12          1HE2      GLN  12   6.360  12.880  -8.403
   87    H    GLU  13           H        GLU  13   6.121   6.281  -7.896
   88    HA   GLU  13           HA       GLU  13   6.182   5.359 -10.826
   89   1HB   GLU  13          1HB       GLU  13   8.433   4.941  -8.739
   90   2HB   GLU  13          2HB       GLU  13   8.373   4.186 -10.322
   91   1HG   GLU  13          2HG       GLU  13   8.456   6.425 -11.464
   92   2HG   GLU  13          1HG       GLU  13   8.558   7.230  -9.902
   93    H    LYS  14           H        LYS  14   6.692   2.946 -10.885
   94    HA   LYS  14           HA       LYS  14   4.280   1.660  -9.858
   95   1HB   LYS  14          1HB       LYS  14   5.414   1.235 -12.109
   96   2HB   LYS  14          2HB       LYS  14   6.672   0.318 -11.276
   97   1HG   LYS  14          2HG       LYS  14   4.925  -1.317 -10.466
   98   2HG   LYS  14          1HG       LYS  14   3.666  -0.339 -11.198
   99   1HD   LYS  14          1HD       LYS  14   4.684  -0.736 -13.486
  100   2HD   LYS  14          2HD       LYS  14   5.902  -1.779 -12.740
  101   1HE   LYS  14          2HE       LYS  14   4.029  -3.294 -11.860
  102   2HE   LYS  14          1HE       LYS  14   2.835  -2.249 -12.637
  103   1HZ   LYS  14          2HZ       LYS  14   4.991  -3.730 -14.068
  104   2HZ   LYS  14          3HZ       LYS  14   3.396  -4.159 -14.013
  105   3HZ   LYS  14          1HZ       LYS  14   3.854  -2.773 -14.788
  106    H    CYS  15           H        CYS  15   3.980   0.054  -8.344
  107    HA   CYS  15           HA       CYS  15   6.138  -0.854  -6.479
  108   1HB   CYS  15          1HB       CYS  15   5.315   0.435  -4.487
  109   2HB   CYS  15          2HB       CYS  15   5.892   1.528  -5.756
  110    H    LEU  16           H        LEU  16   5.211  -1.942  -4.577
  111    HA   LEU  16           HA       LEU  16   3.040  -3.870  -5.324
  112   1HB   LEU  16          1HB       LEU  16   4.759  -3.546  -2.792
  113   2HB   LEU  16          2HB       LEU  16   3.557  -4.796  -2.934
  114    HG   LEU  16           HG       LEU  16   5.899  -4.551  -4.912
  115   1HD1  LEU  16          3HD2      LEU  16   6.781  -4.832  -2.595
  116   2HD1  LEU  16          1HD2      LEU  16   5.728  -6.242  -2.330
  117   3HD1  LEU  16          2HD2      LEU  16   7.038  -6.311  -3.541
  118   1HD2  LEU  16          2HD1      LEU  16   3.938  -5.945  -5.730
  119   2HD2  LEU  16          1HD1      LEU  16   5.365  -6.954  -5.423
  120   3HD2  LEU  16          3HD1      LEU  16   4.023  -6.929  -4.251
  121    H    CYS  17           H        CYS  17   0.980  -3.341  -5.027
  122    HA   CYS  17           HA       CYS  17   0.065  -1.383  -2.883
  123   1HB   CYS  17          1HB       CYS  17  -0.692  -1.323  -5.398
  124   2HB   CYS  17          2HB       CYS  17  -1.769  -2.673  -4.976
  125    H    ASN  18           H        ASN  18   0.592  -2.773  -1.196
  126    HA   ASN  18           HA       ASN  18   0.336  -4.344   0.487
  127   1HB   ASN  18          1HB       ASN  18  -2.175  -4.095   0.305
  128   2HB   ASN  18          2HB       ASN  18  -2.214  -5.422  -0.839
  129   1HD2  ASN  18          1HD2      ASN  18  -2.509  -7.715   1.874
  130   2HD2  ASN  18          2HD2      ASN  18  -2.998  -7.168   0.191
  131    H    LYS  19           H        LYS  19  -0.894  -6.410  -2.069
  132    HA   LYS  19           HA       LYS  19   1.859  -7.707  -2.432
  133   1HB   LYS  19          2HB       LYS  19  -0.884  -9.068  -2.828
  134   2HB   LYS  19          1HB       LYS  19   0.696  -9.808  -3.043
  135   1HG   LYS  19          2HG       LYS  19   1.169  -9.303  -0.546
  136   2HG   LYS  19          1HG       LYS  19  -0.517  -8.833  -0.395
  137   1HD   LYS  19          2HD       LYS  19  -1.250 -11.121  -1.196
  138   2HD   LYS  19          1HD       LYS  19   0.444 -11.611  -1.332
  139   1HE   LYS  19          1HE       LYS  19   0.756 -11.200   1.166
  140   2HE   LYS  19          2HE       LYS  19  -0.944 -10.725   1.296
  141   1HZ   LYS  19          2HZ       LYS  19  -1.565 -12.960   0.529
  142   2HZ   LYS  19          1HZ       LYS  19   0.022 -13.404   0.408
  143   3HZ   LYS  19          3HZ       LYS  19  -0.625 -13.045   1.885
  144    H    ASP  20           H        ASP  20  -0.737  -6.117  -4.174
  145    HA   ASP  20           HA       ASP  20  -0.270  -7.494  -6.767
  146   1HB   ASP  20          1HB       ASP  20  -1.926  -4.957  -6.131
  147   2HB   ASP  20          2HB       ASP  20  -1.910  -5.787  -7.680
  148    H    GLU  21           H        GLU  21   1.226  -6.959  -8.308
  149    HA   GLU  21           HA       GLU  21   3.010  -4.637  -8.128
  150   1HB   GLU  21          1HB       GLU  21   2.483  -6.714 -10.379
  151   2HB   GLU  21          2HB       GLU  21   3.761  -5.528 -10.360
  152   1HG   GLU  21          1HG       GLU  21   4.615  -6.591  -8.134
  153   2HG   GLU  21          2HG       GLU  21   3.446  -7.872  -8.395
  154    H    CYS  22           H        CYS  22   2.105  -2.736  -8.346
  155    HA   CYS  22           HA       CYS  22  -0.291  -2.343 -10.181
  156   1HB   CYS  22          1HB       CYS  22  -0.667  -2.470  -7.716
  157   2HB   CYS  22          2HB       CYS  22   0.316  -1.001  -7.495
  158    HA   PRO  23           HA       PRO  23   2.190   1.072 -12.134
  159   1HB   PRO  23          1HB       PRO  23  -0.607   1.801 -13.154
  160   2HB   PRO  23          2HB       PRO  23   0.932   1.777 -14.040
  161   1HG   PRO  23          2HG       PRO  23  -0.773  -0.306 -14.335
  162   2HG   PRO  23          1HG       PRO  23   0.962  -0.645 -14.123
  163   1HD   PRO  23          1HD       PRO  23  -1.252  -0.807 -11.987
  164   2HD   PRO  23          2HD       PRO  23   0.087  -1.950 -12.341
  165    HA   PRO  24           HA       PRO  24   1.624   4.397  -9.212
  166   1HB   PRO  24          1HB       PRO  24   2.633   6.660 -10.600
  167   2HB   PRO  24          2HB       PRO  24   3.541   5.383  -9.797
  168   1HG   PRO  24          2HG       PRO  24   2.990   5.718 -12.744
  169   2HG   PRO  24          1HG       PRO  24   4.439   5.105 -11.986
  170   1HD   PRO  24          2HD       PRO  24   2.540   3.424 -13.119
  171   2HD   PRO  24          1HD       PRO  24   3.591   2.919 -11.776
  172    H    GLY  25           H        GLY  25   0.124   5.722  -8.443
  173   1HA   GLY  25          1HA       GLY  25  -1.741   7.390  -8.573
  174   2HA   GLY  25          2HA       GLY  25  -2.007   7.012 -10.259
  175    H    GLN  26           H        GLN  26  -2.228   4.312 -10.333
  176    HA   GLN  26           HA       GLN  26  -4.928   3.725  -9.501
  177   1HB   GLN  26          1HB       GLN  26  -2.652   1.793 -10.304
  178   2HB   GLN  26          2HB       GLN  26  -4.314   1.298 -10.118
  179   1HG   GLN  26          2HG       GLN  26  -4.956   3.130 -11.874
  180   2HG   GLN  26          1HG       GLN  26  -3.238   3.294 -12.193
  181   1HE2  GLN  26          2HE2      GLN  26  -5.136   0.290 -14.060
  182   2HE2  GLN  26          1HE2      GLN  26  -5.963   1.692 -13.209
  183    H    CYS  27           H        CYS  27  -2.000   3.068  -7.546
  184    HA   CYS  27           HA       CYS  27  -3.234   1.066  -5.808
  185   1HB   CYS  27          1HB       CYS  27  -0.773   1.314  -6.015
  186   2HB   CYS  27          2HB       CYS  27  -0.834   2.896  -5.197
  187    NH1  ARG  28           NH1      ARG  28  -6.660   6.638  -7.573
  188    NH2  ARG  28           NH2      ARG  28  -8.030   5.617  -9.071
  189    H    ARG  28           H        ARG  28  -5.043   1.531  -4.755
  190    HA   ARG  28           HA       ARG  28  -5.528   4.157  -3.350
  191   1HB   ARG  28          1HB       ARG  28  -7.374   1.695  -3.533
  192   2HB   ARG  28          2HB       ARG  28  -7.814   3.309  -3.004
  193   1HG   ARG  28          2HG       ARG  28  -7.139   2.396  -5.830
  194   2HG   ARG  28          1HG       ARG  28  -8.698   2.892  -5.197
  195   1HD   ARG  28          1HD       ARG  28  -7.830   5.284  -4.935
  196   2HD   ARG  28          2HD       ARG  28  -6.262   4.756  -5.591
  197    HE   ARG  28           HE       ARG  28  -8.569   4.032  -7.343
  198   1HH1  ARG  28          2HH1      ARG  28  -6.272   6.651  -6.623
  199   2HH1  ARG  28          1HH1      ARG  28  -6.460   7.304  -8.328
  200   1HH2  ARG  28          2HH2      ARG  28  -8.687   4.854  -9.264
  201   2HH2  ARG  28          1HH2      ARG  28  -7.737   6.355  -9.721
  202    H    PHE  29           H        PHE  29  -5.976   4.336  -1.181
  203    HA   PHE  29           HA       PHE  29  -5.048   2.054   0.684
  204   1HB   PHE  29          1HB       PHE  29  -4.290   5.033   0.724
  205   2HB   PHE  29          2HB       PHE  29  -4.225   4.054   2.159
  206    HD1  PHE  29           HD1      PHE  29  -2.858   4.174  -1.381
  207    HD2  PHE  29           HD2      PHE  29  -2.369   2.605   2.601
  208    HE1  PHE  29           HE1      PHE  29  -0.685   3.222  -2.010
  209    HE2  PHE  29           HE2      PHE  29  -0.192   1.669   1.950
  210    HZ   PHE  29           HZ       PHE  29   0.638   1.950  -0.348
  211    HA   PRO  30           HA       PRO  30  -9.310   3.379   2.112
  212   1HB   PRO  30          1HB       PRO  30 -10.406   0.902   2.607
  213   2HB   PRO  30          2HB       PRO  30 -10.229   1.564   0.980
  214   1HG   PRO  30          1HG       PRO  30  -8.351  -0.397   2.396
  215   2HG   PRO  30          2HG       PRO  30  -9.055  -0.562   0.779
  216   1HD   PRO  30          1HD       PRO  30  -6.509   0.434   1.231
  217   2HD   PRO  30          2HD       PRO  30  -7.491   1.035  -0.141
  218    NH1  ARG  31           NH1      ARG  31 -12.146   9.293   7.522
  219    NH2  ARG  31           NH2      ARG  31 -11.140   8.759   9.490
  220    H    ARG  31           H        ARG  31 -10.210   3.530   4.119
  221    HA   ARG  31           HA       ARG  31  -8.290   3.608   6.312
  222   1HB   ARG  31          1HB       ARG  31 -11.289   4.348   6.184
  223   2HB   ARG  31          2HB       ARG  31 -10.277   4.661   7.579
  224   1HG   ARG  31          1HG       ARG  31  -8.735   6.116   6.210
  225   2HG   ARG  31          2HG       ARG  31  -9.724   5.819   4.791
  226   1HD   ARG  31          2HD       ARG  31 -10.378   7.964   5.600
  227   2HD   ARG  31          1HD       ARG  31 -11.727   6.879   5.945
  228    HE   ARG  31           HE       ARG  31 -10.002   7.000   8.318
  229   1HH1  ARG  31          1HH1      ARG  31 -12.256   9.086   6.524
  230   2HH1  ARG  31          2HH1      ARG  31 -12.615  10.036   8.052
  231   1HH2  ARG  31          1HH2      ARG  31 -10.486   8.149   9.993
  232   2HH2  ARG  31          2HH2      ARG  31 -11.679   9.539   9.882
  233    H    GLY  32           H        GLY  32  -8.790   3.058   8.545
  234   1HA   GLY  32          1HA       GLY  32  -9.490   1.666  10.337
  235   2HA   GLY  32          2HA       GLY  32 -10.749   1.022   9.309
  236    H    ASP  33           H        ASP  33 -10.567  -1.078   9.148
  237    HA   ASP  33           HA       ASP  33  -7.830  -2.471   8.927
  238   1HB   ASP  33          2HB       ASP  33  -9.155  -3.097  11.015
  239   2HB   ASP  33          1HB       ASP  33 -10.429  -3.741   9.993
  240    H    ALA  34           H        ALA  34  -8.473  -1.290   6.764
  241    HA   ALA  34           HA       ALA  34  -9.366  -3.552   4.892
  242   1HB   ALA  34          2HB       ALA  34 -11.047  -1.711   4.887
  243   2HB   ALA  34          1HB       ALA  34  -9.784  -0.524   4.463
  244   3HB   ALA  34          3HB       ALA  34 -10.215  -1.825   3.324
  245    H    ASP  35           H        ASP  35  -7.933  -4.136   3.556
  246    HA   ASP  35           HA       ASP  35  -5.159  -3.093   3.692
  247   1HB   ASP  35          1HB       ASP  35  -6.283  -5.495   2.129
  248   2HB   ASP  35          2HB       ASP  35  -4.589  -5.049   2.145
  249    HA   PRO  36           HA       PRO  36  -5.059  -0.590  -0.118
  250   1HB   PRO  36          1HB       PRO  36  -2.260  -1.746  -0.553
  251   2HB   PRO  36          2HB       PRO  36  -2.790  -0.056  -0.616
  252   1HG   PRO  36          1HG       PRO  36  -1.510  -0.994   1.594
  253   2HG   PRO  36          2HG       PRO  36  -2.910   0.088   1.786
  254   1HD   PRO  36          1HD       PRO  36  -2.851  -2.946   2.149
  255   2HD   PRO  36          2HD       PRO  36  -3.676  -1.680   3.103
  256    OH   TYR  37           OH       TYR  37 -10.901   1.734  -3.435
  257    H    TYR  37           H        TYR  37  -5.698  -0.803  -2.146
  258    HA   TYR  37           HA       TYR  37  -5.379  -3.468  -3.634
  259   1HB   TYR  37          1HB       TYR  37  -7.676  -3.448  -4.329
  260   2HB   TYR  37          2HB       TYR  37  -7.597  -3.420  -2.599
  261    HD1  TYR  37           HD1      TYR  37  -8.546  -1.460  -5.615
  262    HD2  TYR  37           HD2      TYR  37  -8.412  -1.410  -1.318
  263    HE1  TYR  37           HE1      TYR  37 -10.026   0.495  -5.586
  264    HE2  TYR  37           HE2      TYR  37  -9.913   0.538  -1.300
  265    HH   TYR  37           HH       TYR  37 -11.104   1.978  -4.341
  266    H    CYS  38           H        CYS  38  -5.161  -3.409  -5.789
  267    HA   CYS  38           HA       CYS  38  -4.321  -0.808  -7.062
  268   1HB   CYS  38          1HB       CYS  38  -2.996  -2.965  -7.302
  269   2HB   CYS  38          2HB       CYS  38  -4.299  -3.612  -8.329
  270    H    GLU  39           H        GLU  39  -5.894   0.420  -7.843
  271    HA   GLU  39           HA       GLU  39  -8.451  -0.733  -9.039
  272   1HB   GLU  39          2HB       GLU  39  -8.552   1.048  -7.257
  273   2HB   GLU  39          1HB       GLU  39  -7.730   2.177  -8.325
  274   1HG   GLU  39          1HG       GLU  39  -9.633   2.000  -9.976
  275   2HG   GLU  39          2HG       GLU  39 -10.444   0.829  -8.939
   
  Start of MODEL          14
 Raw file had 275 H/Q atoms
  Start of MODEL   14
    1   1H    ALA   1          2H        ALA   1  17.370  -6.959 -13.625
    2   2H    ALA   1          3H        ALA   1  18.103  -7.023 -12.146
    3   3H    ALA   1          1H        ALA   1  18.225  -8.303 -13.184
    4    HA   ALA   1           HA       ALA   1  15.878  -8.776 -13.037
    5   1HB   ALA   1          1HB       ALA   1  17.380  -9.959 -11.479
    6   2HB   ALA   1          2HB       ALA   1  17.270  -8.632 -10.291
    7   3HB   ALA   1          3HB       ALA   1  15.833  -9.607 -10.685
    8    HA   PRO   2           HA       PRO   2  13.746  -4.768 -11.944
    9   1HB   PRO   2          1HB       PRO   2  11.259  -6.465 -12.489
   10   2HB   PRO   2          2HB       PRO   2  11.644  -4.823 -13.037
   11   1HG   PRO   2          2HG       PRO   2  11.928  -6.928 -14.743
   12   2HG   PRO   2          1HG       PRO   2  13.157  -5.641 -14.726
   13   1HD   PRO   2          1HD       PRO   2  13.329  -8.409 -13.407
   14   2HD   PRO   2          2HD       PRO   2  14.562  -7.502 -14.333
   15    NH1  ARG   3           NH1      ARG   3  15.445  -8.492  -4.438
   16    NH2  ARG   3           NH2      ARG   3  15.313  -6.956  -2.768
   17    H    ARG   3           H        ARG   3  13.574  -4.190  -9.873
   18    HA   ARG   3           HA       ARG   3  12.123  -5.938  -7.823
   19   1HB   ARG   3          1HB       ARG   3  14.630  -4.160  -7.554
   20   2HB   ARG   3          2HB       ARG   3  13.694  -4.718  -6.189
   21   1HG   ARG   3          1HG       ARG   3  14.082  -7.138  -6.872
   22   2HG   ARG   3          2HG       ARG   3  15.036  -6.580  -8.234
   23   1HD   ARG   3          1HD       ARG   3  16.624  -7.213  -6.550
   24   2HD   ARG   3          2HD       ARG   3  16.675  -5.468  -6.648
   25    HE   ARG   3           HE       ARG   3  15.788  -5.274  -4.408
   26   1HH1  ARG   3          2HH1      ARG   3  15.604  -8.675  -5.435
   27   2HH1  ARG   3          1HH1      ARG   3  15.240  -9.187  -3.711
   28   1HH2  ARG   3          1HH2      ARG   3  15.369  -5.971  -2.489
   29   2HH2  ARG   3          2HH2      ARG   3  15.117  -7.758  -2.159
   30    H    LEU   4           H        LEU   4  10.171  -5.034  -7.636
   31    HA   LEU   4           HA       LEU   4   9.640  -2.131  -7.891
   32   1HB   LEU   4          1HB       LEU   4   7.775  -4.403  -7.031
   33   2HB   LEU   4          2HB       LEU   4   7.309  -2.752  -7.391
   34    HG   LEU   4           HG       LEU   4   8.478  -4.744  -9.418
   35   1HD1  LEU   4          1HD1      LEU   4   6.143  -5.243  -8.646
   36   2HD1  LEU   4          3HD1      LEU   4   5.630  -3.593  -9.078
   37   3HD1  LEU   4          2HD1      LEU   4   6.160  -4.733 -10.347
   38   1HD2  LEU   4          2HD2      LEU   4   7.461  -1.866  -9.932
   39   2HD2  LEU   4          1HD2      LEU   4   9.138  -2.434 -10.122
   40   3HD2  LEU   4          3HD2      LEU   4   7.869  -3.057 -11.189
   41    HA   PRO   5           HA       PRO   5   9.973  -1.210  -3.301
   42   1HB   PRO   5          1HB       PRO   5   8.260   1.148  -4.287
   43   2HB   PRO   5          2HB       PRO   5   9.639   1.168  -3.166
   44   1HG   PRO   5          1HG       PRO   5  10.001   1.958  -5.732
   45   2HG   PRO   5          2HG       PRO   5  11.225   0.900  -4.983
   46   1HD   PRO   5          1HD       PRO   5   8.960   0.093  -6.894
   47   2HD   PRO   5          2HD       PRO   5  10.678  -0.411  -6.900
   48    H    GLN   6           H        GLN   6   8.312  -0.510  -1.615
   49    HA   GLN   6           HA       GLN   6   5.588  -1.802  -2.011
   50   1HB   GLN   6          1HB       GLN   6   6.907  -2.495  -0.014
   51   2HB   GLN   6          2HB       GLN   6   6.943  -0.842   0.575
   52   1HG   GLN   6          2HG       GLN   6   5.286  -2.110   1.804
   53   2HG   GLN   6          1HG       GLN   6   4.464  -0.873   0.875
   54   1HE2  GLN   6          2HE2      GLN   6   3.837  -4.797  -0.349
   55   2HE2  GLN   6          1HE2      GLN   6   5.524  -4.235   0.109
   56    H    CYS   7           H        CYS   7   3.856  -0.630  -1.953
   57    HA   CYS   7           HA       CYS   7   3.960   2.157  -2.915
   58   1HB   CYS   7          1HB       CYS   7   1.564   0.394  -2.127
   59   2HB   CYS   7          2HB       CYS   7   1.388   2.017  -2.813
   60    H    GLN   8           H        GLN   8   3.074   4.015  -2.068
   61    HA   GLN   8           HA       GLN   8   2.945   4.229   0.997
   62   1HB   GLN   8          1HB       GLN   8   4.009   6.280  -1.045
   63   2HB   GLN   8          2HB       GLN   8   3.751   6.606   0.668
   64   1HG   GLN   8          2HG       GLN   8   5.392   4.793   1.300
   65   2HG   GLN   8          1HG       GLN   8   5.677   4.449  -0.397
   66   1HE2  GLN   8          2HE2      GLN   8   7.573   7.682   1.238
   67   2HE2  GLN   8          1HE2      GLN   8   6.366   6.680   2.192
   68    H    GLY   9           H        GLY   9   1.704   6.029  -1.909
   69   1HA   GLY   9          1HA       GLY   9  -1.088   5.970  -1.146
   70   2HA   GLY   9          2HA       GLY   9  -0.416   7.385  -0.343
   71    H    ASP  10           H        ASP  10  -1.206   5.952  -3.411
   72    HA   ASP  10           HA       ASP  10  -1.445   6.738  -5.590
   73   1HB   ASP  10          1HB       ASP  10  -2.890   8.492  -4.435
   74   2HB   ASP  10          2HB       ASP  10  -1.523   9.602  -4.470
   75    H    ASP  11           H        ASP  11   0.523   5.921  -6.142
   76    HA   ASP  11           HA       ASP  11   2.997   7.207  -5.275
   77   1HB   ASP  11          1HB       ASP  11   2.369   4.586  -6.799
   78   2HB   ASP  11          2HB       ASP  11   4.004   5.068  -6.422
   79    H    GLN  12           H        GLN  12   4.866   7.541  -6.393
   80    HA   GLN  12           HA       GLN  12   4.635   8.886  -9.090
   81   1HB   GLN  12          1HB       GLN  12   7.055   8.589  -7.198
   82   2HB   GLN  12          2HB       GLN  12   7.082   9.428  -8.747
   83   1HG   GLN  12          1HG       GLN  12   5.326  11.054  -7.953
   84   2HG   GLN  12          2HG       GLN  12   5.290  10.258  -6.389
   85   1HE2  GLN  12          2HE2      GLN  12   8.367  12.848  -7.146
   86   2HE2  GLN  12          1HE2      GLN  12   7.138  12.402  -8.437
   87    H    GLU  13           H        GLU  13   6.182   5.907  -7.798
   88    HA   GLU  13           HA       GLU  13   6.694   5.019 -10.697
   89   1HB   GLU  13          1HB       GLU  13   8.427   4.184  -8.286
   90   2HB   GLU  13          2HB       GLU  13   8.563   3.604  -9.918
   91   1HG   GLU  13          2HG       GLU  13  10.327   5.090  -9.797
   92   2HG   GLU  13          1HG       GLU  13   9.126   5.937 -10.752
   93    H    LYS  14           H        LYS  14   6.605   2.755 -10.994
   94    HA   LYS  14           HA       LYS  14   4.233   1.458 -10.005
   95   1HB   LYS  14          1HB       LYS  14   5.260   1.004 -12.219
   96   2HB   LYS  14          2HB       LYS  14   6.618   0.167 -11.458
   97   1HG   LYS  14          1HG       LYS  14   5.068  -1.599 -10.579
   98   2HG   LYS  14          2HG       LYS  14   3.675  -0.739 -11.219
   99   1HD   LYS  14          2HD       LYS  14   4.500  -1.068 -13.570
  100   2HD   LYS  14          1HD       LYS  14   5.984  -1.792 -12.964
  101   1HE   LYS  14          1HE       LYS  14   4.580  -3.604 -13.708
  102   2HE   LYS  14          2HE       LYS  14   4.677  -3.709 -11.955
  103   1HZ   LYS  14          3HZ       LYS  14   2.389  -2.562 -13.488
  104   2HZ   LYS  14          1HZ       LYS  14   2.419  -4.038 -12.746
  105   3HZ   LYS  14          2HZ       LYS  14   2.465  -2.658 -11.840
  106    H    CYS  15           H        CYS  15   3.844   0.189  -8.272
  107    HA   CYS  15           HA       CYS  15   6.064  -1.005  -6.574
  108   1HB   CYS  15          1HB       CYS  15   5.268   0.291  -4.543
  109   2HB   CYS  15          2HB       CYS  15   5.869   1.375  -5.815
  110    H    LEU  16           H        LEU  16   5.210  -2.092  -4.689
  111    HA   LEU  16           HA       LEU  16   3.036  -4.038  -5.359
  112   1HB   LEU  16          1HB       LEU  16   4.735  -3.626  -2.825
  113   2HB   LEU  16          2HB       LEU  16   3.585  -4.924  -2.980
  114    HG   LEU  16           HG       LEU  16   5.978  -4.601  -4.890
  115   1HD1  LEU  16          3HD1      LEU  16   6.793  -4.838  -2.543
  116   2HD1  LEU  16          1HD1      LEU  16   5.780  -6.279  -2.301
  117   3HD1  LEU  16          2HD1      LEU  16   7.131  -6.316  -3.466
  118   1HD2  LEU  16          3HD2      LEU  16   4.102  -6.067  -5.765
  119   2HD2  LEU  16          1HD2      LEU  16   5.559  -7.018  -5.406
  120   3HD2  LEU  16          2HD2      LEU  16   4.180  -7.044  -4.279
  121    H    CYS  17           H        CYS  17   0.963  -3.502  -5.064
  122    HA   CYS  17           HA       CYS  17   0.089  -1.501  -2.941
  123   1HB   CYS  17          1HB       CYS  17  -0.720  -1.471  -5.437
  124   2HB   CYS  17          2HB       CYS  17  -1.813  -2.790  -4.963
  125    H    ASN  18           H        ASN  18   0.554  -2.783  -1.208
  126    HA   ASN  18           HA       ASN  18   0.268  -4.266   0.552
  127   1HB   ASN  18          1HB       ASN  18  -2.239  -4.142   0.262
  128   2HB   ASN  18          2HB       ASN  18  -2.178  -5.510  -0.829
  129   1HD2  ASN  18          1HD2      ASN  18  -2.484  -7.716   1.957
  130   2HD2  ASN  18          2HD2      ASN  18  -2.925  -7.259   0.235
  131    H    LYS  19           H        LYS  19  -0.765  -6.494  -1.959
  132    HA   LYS  19           HA       LYS  19   2.055  -7.668  -2.170
  133   1HB   LYS  19          2HB       LYS  19  -0.596  -9.224  -2.484
  134   2HB   LYS  19          1HB       LYS  19   1.030  -9.878  -2.620
  135   1HG   LYS  19          2HG       LYS  19   1.426  -9.158  -0.166
  136   2HG   LYS  19          1HG       LYS  19  -0.283  -8.772  -0.074
  137   1HD   LYS  19          2HD       LYS  19  -0.869 -11.175  -0.711
  138   2HD   LYS  19          1HD       LYS  19   0.846 -11.552  -0.776
  139   1HE   LYS  19          2HE       LYS  19   0.066 -12.352   1.350
  140   2HE   LYS  19          1HE       LYS  19   1.072 -10.949   1.697
  141   1HZ   LYS  19          3HZ       LYS  19  -1.914 -10.959   1.609
  142   2HZ   LYS  19          1HZ       LYS  19  -0.983 -10.917   2.973
  143   3HZ   LYS  19          2HZ       LYS  19  -0.987  -9.631   1.936
  144    H    ASP  20           H        ASP  20  -0.612  -6.360  -4.040
  145    HA   ASP  20           HA       ASP  20   0.204  -7.862  -6.557
  146   1HB   ASP  20          1HB       ASP  20  -2.250  -6.084  -5.956
  147   2HB   ASP  20          2HB       ASP  20  -1.923  -6.838  -7.508
  148    H    GLU  21           H        GLU  21   1.484  -6.941  -8.016
  149    HA   GLU  21           HA       GLU  21   2.584  -4.300  -7.852
  150   1HB   GLU  21          1HB       GLU  21   3.645  -4.743  -9.991
  151   2HB   GLU  21          2HB       GLU  21   3.778  -6.101  -8.887
  152   1HG   GLU  21          1HG       GLU  21   1.979  -7.332 -10.205
  153   2HG   GLU  21          2HG       GLU  21   1.869  -5.969 -11.316
  154    H    CYS  22           H        CYS  22   2.053  -2.403  -8.561
  155    HA   CYS  22           HA       CYS  22  -0.471  -1.980 -10.245
  156   1HB   CYS  22          1HB       CYS  22  -0.908  -2.184  -7.732
  157   2HB   CYS  22          2HB       CYS  22  -0.014  -0.659  -7.516
  158    HA   PRO  23           HA       PRO  23   2.487   1.260 -11.702
  159   1HB   PRO  23          1HB       PRO  23   0.185   2.084 -13.520
  160   2HB   PRO  23          2HB       PRO  23   1.891   1.783 -13.906
  161   1HG   PRO  23          2HG       PRO  23  -0.023  -0.084 -14.512
  162   2HG   PRO  23          1HG       PRO  23   1.566  -0.602 -13.899
  163   1HD   PRO  23          1HD       PRO  23  -1.058  -0.334 -12.317
  164   2HD   PRO  23          2HD       PRO  23   0.156  -1.653 -12.305
  165    HA   PRO  24           HA       PRO  24   1.806   5.166  -9.627
  166   1HB   PRO  24          2HB       PRO  24   1.925   6.431 -12.459
  167   2HB   PRO  24          1HB       PRO  24   2.654   7.062 -10.972
  168   1HG   PRO  24          2HG       PRO  24   4.131   5.582 -12.736
  169   2HG   PRO  24          1HG       PRO  24   4.354   5.392 -10.984
  170   1HD   PRO  24          2HD       PRO  24   3.198   3.381 -12.827
  171   2HD   PRO  24          1HD       PRO  24   3.745   3.204 -11.202
  172    H    GLY  25           H        GLY  25   0.198   6.290  -8.801
  173   1HA   GLY  25          1HA       GLY  25  -1.877   7.612  -8.784
  174   2HA   GLY  25          2HA       GLY  25  -2.291   7.082 -10.393
  175    H    GLN  26           H        GLN  26  -2.248   4.379 -10.259
  176    HA   GLN  26           HA       GLN  26  -4.880   3.868  -9.255
  177   1HB   GLN  26          2HB       GLN  26  -2.720   1.905 -10.281
  178   2HB   GLN  26          1HB       GLN  26  -4.338   1.404  -9.885
  179   1HG   GLN  26          2HG       GLN  26  -4.477   1.658 -12.174
  180   2HG   GLN  26          1HG       GLN  26  -5.295   3.069 -11.549
  181   1HE2  GLN  26          2HE2      GLN  26  -1.868   3.593 -13.780
  182   2HE2  GLN  26          1HE2      GLN  26  -2.326   1.942 -13.119
  183    H    CYS  27           H        CYS  27  -1.910   3.213  -7.381
  184    HA   CYS  27           HA       CYS  27  -3.151   1.127  -5.708
  185   1HB   CYS  27          1HB       CYS  27  -0.708   1.293  -5.948
  186   2HB   CYS  27          2HB       CYS  27  -0.688   2.833  -5.048
  187    NH1  ARG  28           NH1      ARG  28  -6.438   7.038  -7.113
  188    NH2  ARG  28           NH2      ARG  28  -7.527   6.067  -8.855
  189    H    ARG  28           H        ARG  28  -4.911   1.573  -4.624
  190    HA   ARG  28           HA       ARG  28  -5.389   4.184  -3.177
  191   1HB   ARG  28          2HB       ARG  28  -7.268   1.774  -3.528
  192   2HB   ARG  28          1HB       ARG  28  -7.727   3.364  -2.943
  193   1HG   ARG  28          1HG       ARG  28  -6.943   2.571  -5.777
  194   2HG   ARG  28          2HG       ARG  28  -8.521   3.065  -5.194
  195   1HD   ARG  28          1HD       ARG  28  -7.676   5.417  -4.787
  196   2HD   ARG  28          2HD       ARG  28  -6.053   4.928  -5.321
  197    HE   ARG  28           HE       ARG  28  -8.096   4.260  -7.353
  198   1HH1  ARG  28          2HH1      ARG  28  -6.161   6.982  -6.127
  199   2HH1  ARG  28          1HH1      ARG  28  -6.222   7.796  -7.770
  200   1HH2  ARG  28          2HH2      ARG  28  -8.079   5.274  -9.200
  201   2HH2  ARG  28          1HH2      ARG  28  -7.236   6.893  -9.390
  202    H    PHE  29           H        PHE  29  -6.018   4.276  -1.015
  203    HA   PHE  29           HA       PHE  29  -5.035   1.986   0.807
  204   1HB   PHE  29          1HB       PHE  29  -4.263   4.961   0.879
  205   2HB   PHE  29          2HB       PHE  29  -4.194   3.965   2.302
  206    HD1  PHE  29           HD1      PHE  29  -2.863   4.095  -1.251
  207    HD2  PHE  29           HD2      PHE  29  -2.322   2.526   2.722
  208    HE1  PHE  29           HE1      PHE  29  -0.733   3.086  -1.929
  209    HE2  PHE  29           HE2      PHE  29  -0.179   1.542   2.025
  210    HZ   PHE  29           HZ       PHE  29   0.593   1.783  -0.302
  211    HA   PRO  30           HA       PRO  30  -9.308   3.300   2.249
  212   1HB   PRO  30          2HB       PRO  30 -10.413   0.807   2.649
  213   2HB   PRO  30          1HB       PRO  30 -10.258   1.550   1.048
  214   1HG   PRO  30          1HG       PRO  30  -8.356  -0.475   2.343
  215   2HG   PRO  30          2HG       PRO  30  -9.101  -0.581   0.740
  216   1HD   PRO  30          1HD       PRO  30  -6.549   0.401   1.126
  217   2HD   PRO  30          2HD       PRO  30  -7.588   1.092  -0.152
  218    NH1  ARG  31           NH1      ARG  31  -9.472   6.347   1.776
  219    NH2  ARG  31           NH2      ARG  31 -11.726   6.144   1.979
  220    H    ARG  31           H        ARG  31 -10.197   3.343   4.262
  221    HA   ARG  31           HA       ARG  31  -8.197   3.364   6.403
  222   1HB   ARG  31          1HB       ARG  31 -11.116   4.355   6.169
  223   2HB   ARG  31          2HB       ARG  31 -10.243   4.478   7.666
  224   1HG   ARG  31          2HG       ARG  31 -10.085   6.594   6.624
  225   2HG   ARG  31          1HG       ARG  31  -8.489   5.889   6.710
  226   1HD   ARG  31          1HD       ARG  31  -8.759   7.109   4.610
  227   2HD   ARG  31          2HD       ARG  31  -8.498   5.404   4.267
  228    HE   ARG  31           HE       ARG  31 -11.401   5.997   4.352
  229   1HH1  ARG  31          1HH1      ARG  31  -9.645   6.408   0.767
  230   2HH1  ARG  31          2HH1      ARG  31  -8.561   6.388   2.247
  231   1HH2  ARG  31          1HH2      ARG  31 -12.535   6.031   2.601
  232   2HH2  ARG  31          2HH2      ARG  31 -11.743   6.219   0.956
  233    H    GLY  32           H        GLY  32  -8.801   2.927   8.677
  234   1HA   GLY  32          1HA       GLY  32  -9.584   1.609  10.486
  235   2HA   GLY  32          2HA       GLY  32 -10.830   0.966   9.440
  236    H    ASP  33           H        ASP  33 -10.634  -1.104   8.886
  237    HA   ASP  33           HA       ASP  33  -7.914  -2.509   8.864
  238   1HB   ASP  33          2HB       ASP  33  -9.225  -3.169  10.954
  239   2HB   ASP  33          1HB       ASP  33 -10.498  -3.817   9.934
  240    H    ALA  34           H        ALA  34  -8.386  -1.447   6.690
  241    HA   ALA  34           HA       ALA  34  -9.374  -3.675   4.843
  242   1HB   ALA  34          2HB       ALA  34  -9.832  -0.646   4.433
  243   2HB   ALA  34          1HB       ALA  34 -10.235  -1.935   3.267
  244   3HB   ALA  34          3HB       ALA  34 -11.077  -1.860   4.828
  245    H    ASP  35           H        ASP  35  -7.958  -4.230   3.447
  246    HA   ASP  35           HA       ASP  35  -5.181  -3.213   3.646
  247   1HB   ASP  35          1HB       ASP  35  -6.303  -5.558   1.996
  248   2HB   ASP  35          2HB       ASP  35  -4.608  -5.120   2.032
  249    HA   PRO  36           HA       PRO  36  -5.004  -0.595  -0.072
  250   1HB   PRO  36          2HB       PRO  36  -2.210  -1.756  -0.510
  251   2HB   PRO  36          1HB       PRO  36  -2.731  -0.061  -0.529
  252   1HG   PRO  36          1HG       PRO  36  -1.490  -1.074   1.672
  253   2HG   PRO  36          2HG       PRO  36  -2.889   0.008   1.874
  254   1HD   PRO  36          1HD       PRO  36  -2.848  -3.034   2.150
  255   2HD   PRO  36          2HD       PRO  36  -3.683  -1.793   3.124
  256    OH   TYR  37           OH       TYR  37 -10.788   1.948  -3.569
  257    H    TYR  37           H        TYR  37  -5.793  -0.814  -2.035
  258    HA   TYR  37           HA       TYR  37  -5.435  -3.430  -3.605
  259   1HB   TYR  37          1HB       TYR  37  -7.701  -3.335  -4.359
  260   2HB   TYR  37          2HB       TYR  37  -7.679  -3.311  -2.627
  261    HD1  TYR  37           HD1      TYR  37  -8.445  -1.305  -5.674
  262    HD2  TYR  37           HD2      TYR  37  -8.503  -1.296  -1.377
  263    HE1  TYR  37           HE1      TYR  37  -9.848   0.704  -5.695
  264    HE2  TYR  37           HE2      TYR  37  -9.938   0.700  -1.405
  265    HH   TYR  37           HH       TYR  37 -10.948   2.205  -4.480
  266    H    CYS  38           H        CYS  38  -5.193  -3.347  -5.764
  267    HA   CYS  38           HA       CYS  38  -4.318  -0.760  -7.041
  268   1HB   CYS  38          1HB       CYS  38  -3.100  -2.963  -7.410
  269   2HB   CYS  38          2HB       CYS  38  -4.493  -3.541  -8.359
  270    H    GLU  39           H        GLU  39  -5.550   0.431  -8.358
  271    HA   GLU  39           HA       GLU  39  -8.471  -0.158  -8.606
  272   1HB   GLU  39          1HB       GLU  39  -7.433   2.140  -8.013
  273   2HB   GLU  39          2HB       GLU  39  -6.921   2.281  -9.676
  274   1HG   GLU  39          2HG       GLU  39  -8.930   3.533  -9.532
  275   2HG   GLU  39          1HG       GLU  39  -9.422   2.073 -10.367
   
  Start of MODEL          15
 Raw file had 275 H/Q atoms
  Start of MODEL   15
    1   1H    ALA   1          1H        ALA   1  13.337  -7.913 -15.682
    2   2H    ALA   1          3H        ALA   1  14.692  -8.340 -14.838
    3   3H    ALA   1          2H        ALA   1  13.771  -9.503 -15.566
    4    HA   ALA   1           HA       ALA   1  11.909  -9.082 -14.114
    5   1HB   ALA   1          3HB       ALA   1  13.515 -10.840 -13.446
    6   2HB   ALA   1          2HB       ALA   1  14.548  -9.648 -12.615
    7   3HB   ALA   1          1HB       ALA   1  12.912  -9.996 -12.007
    8    HA   PRO   2           HA       PRO   2  12.571  -4.677 -12.696
    9   1HB   PRO   2          1HB       PRO   2   9.942  -3.887 -12.391
   10   2HB   PRO   2          2HB       PRO   2  10.728  -4.094 -13.960
   11   1HG   PRO   2          1HG       PRO   2   8.899  -6.076 -12.517
   12   2HG   PRO   2          2HG       PRO   2   8.824  -5.561 -14.218
   13   1HD   PRO   2          1HD       PRO   2  10.061  -7.919 -13.423
   14   2HD   PRO   2          2HD       PRO   2  10.653  -6.989 -14.834
   15    NH1  ARG   3           NH1      ARG   3  19.288  -4.283  -7.768
   16    NH2  ARG   3           NH2      ARG   3  19.064  -5.952  -9.296
   17    H    ARG   3           H        ARG   3  13.281  -4.247 -10.702
   18    HA   ARG   3           HA       ARG   3  12.218  -5.618  -8.267
   19   1HB   ARG   3          2HB       ARG   3  14.104  -4.637  -7.106
   20   2HB   ARG   3          1HB       ARG   3  14.564  -5.583  -8.496
   21   1HG   ARG   3          1HG       ARG   3  14.992  -3.383  -9.788
   22   2HG   ARG   3          2HG       ARG   3  14.608  -2.505  -8.319
   23   1HD   ARG   3          1HD       ARG   3  16.983  -2.599  -8.413
   24   2HD   ARG   3          2HD       ARG   3  16.508  -3.687  -7.106
   25    HE   ARG   3           HE       ARG   3  16.780  -5.265  -9.565
   26   1HH1  ARG   3          2HH1      ARG   3  18.845  -3.507  -7.264
   27   2HH1  ARG   3          1HH1      ARG   3  20.259  -4.602  -7.676
   28   1HH2  ARG   3          1HH2      ARG   3  18.455  -6.449  -9.956
   29   2HH2  ARG   3          2HH2      ARG   3  20.050  -6.154  -9.099
   30    H    LEU   4           H        LEU   4  10.249  -4.819  -7.852
   31    HA   LEU   4           HA       LEU   4   9.572  -1.960  -8.049
   32   1HB   LEU   4          1HB       LEU   4   7.850  -4.303  -7.086
   33   2HB   LEU   4          2HB       LEU   4   7.302  -2.680  -7.460
   34    HG   LEU   4           HG       LEU   4   8.445  -4.697  -9.474
   35   1HD1  LEU   4          1HD1      LEU   4   6.139  -5.190  -8.625
   36   2HD1  LEU   4          3HD1      LEU   4   5.600  -3.556  -9.083
   37   3HD1  LEU   4          2HD1      LEU   4   6.104  -4.720 -10.340
   38   1HD2  LEU   4          3HD2      LEU   4   7.403  -1.844 -10.044
   39   2HD2  LEU   4          2HD2      LEU   4   9.073  -2.415 -10.271
   40   3HD2  LEU   4          1HD2      LEU   4   7.770  -3.071 -11.276
   41    HA   PRO   5           HA       PRO   5  10.057  -1.017  -3.475
   42   1HB   PRO   5          1HB       PRO   5   8.307   1.320  -4.441
   43   2HB   PRO   5          2HB       PRO   5   9.708   1.361  -3.345
   44   1HG   PRO   5          2HG       PRO   5  10.026   2.134  -5.909
   45   2HG   PRO   5          1HG       PRO   5  11.261   1.067  -5.195
   46   1HD   PRO   5          1HD       PRO   5   8.928   0.270  -7.033
   47   2HD   PRO   5          2HD       PRO   5  10.643  -0.232  -7.108
   48    H    GLN   6           H        GLN   6   8.393  -0.188  -1.789
   49    HA   GLN   6           HA       GLN   6   5.729  -1.631  -2.033
   50   1HB   GLN   6          1HB       GLN   6   7.230  -2.028   0.019
   51   2HB   GLN   6          2HB       GLN   6   6.985  -0.346   0.453
   52   1HG   GLN   6          2HG       GLN   6   5.509  -1.724   1.774
   53   2HG   GLN   6          1HG       GLN   6   4.532  -0.731   0.707
   54   1HE2  GLN   6          2HE2      GLN   6   2.783  -3.739  -0.160
   55   2HE2  GLN   6          1HE2      GLN   6   2.759  -1.968   0.321
   56    H    CYS   7           H        CYS   7   3.946  -0.515  -2.193
   57    HA   CYS   7           HA       CYS   7   3.920   2.293  -3.080
   58   1HB   CYS   7          1HB       CYS   7   1.584   0.422  -2.350
   59   2HB   CYS   7          2HB       CYS   7   1.367   2.046  -3.026
   60    H    GLN   8           H        GLN   8   2.999   4.074  -2.172
   61    HA   GLN   8           HA       GLN   8   2.542   4.125   0.867
   62   1HB   GLN   8          1HB       GLN   8   3.698   6.396  -0.873
   63   2HB   GLN   8          2HB       GLN   8   3.342   6.494   0.844
   64   1HG   GLN   8          2HG       GLN   8   5.490   4.703  -0.446
   65   2HG   GLN   8          1HG       GLN   8   5.758   6.213   0.391
   66   1HE2  GLN   8          2HE2      GLN   8   5.690   2.889   2.661
   67   2HE2  GLN   8          1HE2      GLN   8   5.714   2.882   0.824
   68    H    GLY   9           H        GLY   9   1.466   5.606  -2.219
   69   1HA   GLY   9          1HA       GLY   9  -1.261   5.548  -1.956
   70   2HA   GLY   9          2HA       GLY   9  -0.955   6.897  -0.868
   71    H    ASP  10           H        ASP  10  -1.474   6.064  -4.015
   72    HA   ASP  10           HA       ASP  10  -1.184   6.937  -6.134
   73   1HB   ASP  10          1HB       ASP  10  -1.827   9.152  -6.616
   74   2HB   ASP  10          2HB       ASP  10  -2.867   8.453  -5.403
   75    H    ASP  11           H        ASP  11   0.767   6.137  -6.507
   76    HA   ASP  11           HA       ASP  11   3.219   7.417  -5.429
   77   1HB   ASP  11          1HB       ASP  11   2.686   4.782  -6.975
   78   2HB   ASP  11          2HB       ASP  11   4.275   5.261  -6.442
   79    H    GLN  12           H        GLN  12   5.200   7.498  -6.606
   80    HA   GLN  12           HA       GLN  12   5.040   8.978  -9.230
   81   1HB   GLN  12          1HB       GLN  12   7.471   8.253  -7.477
   82   2HB   GLN  12          2HB       GLN  12   7.568   9.117  -9.009
   83   1HG   GLN  12          1HG       GLN  12   6.129  10.970  -8.116
   84   2HG   GLN  12          2HG       GLN  12   5.991  10.153  -6.568
   85   1HE2  GLN  12          2HE2      GLN  12   9.258  11.266  -5.490
   86   2HE2  GLN  12          1HE2      GLN  12   7.792  10.215  -5.142
   87    H    GLU  13           H        GLU  13   6.560   5.867  -8.123
   88    HA   GLU  13           HA       GLU  13   6.588   4.944 -11.043
   89   1HB   GLU  13          1HB       GLU  13   8.504   3.556 -10.535
   90   2HB   GLU  13          2HB       GLU  13   8.843   5.225 -10.175
   91   1HG   GLU  13          2HG       GLU  13   8.579   4.743  -7.686
   92   2HG   GLU  13          1HG       GLU  13   8.183   3.067  -8.054
   93    H    LYS  14           H        LYS  14   6.794   2.505 -11.056
   94    HA   LYS  14           HA       LYS  14   4.193   1.347 -10.159
   95   1HB   LYS  14          1HB       LYS  14   5.225   0.850 -12.393
   96   2HB   LYS  14          2HB       LYS  14   6.568   0.015 -11.606
   97   1HG   LYS  14          1HG       LYS  14   4.986  -1.713 -10.700
   98   2HG   LYS  14          2HG       LYS  14   3.614  -0.838 -11.374
   99   1HD   LYS  14          2HD       LYS  14   4.483  -1.198 -13.711
  100   2HD   LYS  14          1HD       LYS  14   5.918  -1.983 -13.066
  101   1HE   LYS  14          1HE       LYS  14   4.441  -3.725 -13.844
  102   2HE   LYS  14          2HE       LYS  14   4.511  -3.837 -12.091
  103   1HZ   LYS  14          2HZ       LYS  14   2.297  -2.576 -13.649
  104   2HZ   LYS  14          1HZ       LYS  14   2.247  -4.059 -12.923
  105   3HZ   LYS  14          3HZ       LYS  14   2.344  -2.691 -12.002
  106    H    CYS  15           H        CYS  15   3.846   0.098  -8.409
  107    HA   CYS  15           HA       CYS  15   6.096  -0.933  -6.657
  108   1HB   CYS  15          1HB       CYS  15   5.319   0.448  -4.701
  109   2HB   CYS  15          2HB       CYS  15   5.885   1.471  -6.035
  110    H    LEU  16           H        LEU  16   5.243  -1.906  -4.681
  111    HA   LEU  16           HA       LEU  16   3.147  -3.952  -5.302
  112   1HB   LEU  16          1HB       LEU  16   4.856  -3.436  -2.795
  113   2HB   LEU  16          2HB       LEU  16   3.736  -4.760  -2.897
  114    HG   LEU  16           HG       LEU  16   6.059  -4.437  -4.891
  115   1HD1  LEU  16          2HD2      LEU  16   6.973  -4.569  -2.575
  116   2HD1  LEU  16          1HD2      LEU  16   6.021  -6.034  -2.247
  117   3HD1  LEU  16          3HD2      LEU  16   7.322  -6.062  -3.467
  118   1HD2  LEU  16          1HD1      LEU  16   4.219  -5.977  -5.666
  119   2HD2  LEU  16          2HD1      LEU  16   5.694  -6.890  -5.295
  120   3HD2  LEU  16          3HD1      LEU  16   4.329  -6.897  -4.148
  121    H    CYS  17           H        CYS  17   1.073  -3.483  -5.047
  122    HA   CYS  17           HA       CYS  17   0.076  -1.547  -2.903
  123   1HB   CYS  17          1HB       CYS  17  -0.642  -1.363  -5.407
  124   2HB   CYS  17          2HB       CYS  17  -1.681  -2.775  -5.099
  125    H    ASN  18           H        ASN  18   0.041  -2.685  -1.086
  126    HA   ASN  18           HA       ASN  18  -0.514  -4.219   0.593
  127   1HB   ASN  18          1HB       ASN  18  -2.794  -4.566  -0.406
  128   2HB   ASN  18          2HB       ASN  18  -2.169  -5.865  -1.391
  129   1HD2  ASN  18          1HD2      ASN  18  -3.476  -7.848   1.253
  130   2HD2  ASN  18          2HD2      ASN  18  -4.031  -6.746  -0.113
  131    H    LYS  19           H        LYS  19  -0.470  -6.618  -1.940
  132    HA   LYS  19           HA       LYS  19   2.531  -6.818  -2.025
  133   1HB   LYS  19          1HB       LYS  19   2.688  -9.218  -1.482
  134   2HB   LYS  19          2HB       LYS  19   2.098  -8.281  -0.134
  135   1HG   LYS  19          1HG       LYS  19  -0.312  -9.074  -0.713
  136   2HG   LYS  19          2HG       LYS  19   0.387 -10.080  -1.967
  137   1HD   LYS  19          2HD       LYS  19   0.028 -11.524  -0.097
  138   2HD   LYS  19          1HD       LYS  19   1.759 -11.310  -0.229
  139   1HE   LYS  19          1HE       LYS  19   1.175 -11.256   2.125
  140   2HE   LYS  19          2HE       LYS  19   1.699  -9.632   1.698
  141   1HZ   LYS  19          2HZ       LYS  19  -1.142 -10.518   1.947
  142   2HZ   LYS  19          3HZ       LYS  19  -0.311  -9.603   3.043
  143   3HZ   LYS  19          1HZ       LYS  19  -0.664  -8.986   1.552
  144    H    ASP  20           H        ASP  20   0.732  -5.917  -3.961
  145    HA   ASP  20           HA       ASP  20   0.962  -7.998  -6.200
  146   1HB   ASP  20          1HB       ASP  20  -1.509  -6.293  -5.416
  147   2HB   ASP  20          2HB       ASP  20  -1.362  -7.212  -6.902
  148    H    GLU  21           H        GLU  21   1.928  -7.147  -7.934
  149    HA   GLU  21           HA       GLU  21   2.928  -4.492  -8.093
  150   1HB   GLU  21          1HB       GLU  21   3.692  -5.015 -10.317
  151   2HB   GLU  21          2HB       GLU  21   3.955  -6.364  -9.229
  152   1HG   GLU  21          1HG       GLU  21   1.990  -7.590 -10.273
  153   2HG   GLU  21          2HG       GLU  21   1.724  -6.235 -11.367
  154    H    CYS  22           H        CYS  22   2.269  -2.628  -8.792
  155    HA   CYS  22           HA       CYS  22  -0.420  -2.284 -10.207
  156   1HB   CYS  22          1HB       CYS  22  -0.772  -2.406  -7.729
  157   2HB   CYS  22          2HB       CYS  22   0.298  -1.000  -7.510
  158    HA   PRO  23           HA       PRO  23   2.219   1.021 -12.133
  159   1HB   PRO  23          1HB       PRO  23  -0.495   1.976 -13.178
  160   2HB   PRO  23          2HB       PRO  23   1.020   1.750 -14.068
  161   1HG   PRO  23          2HG       PRO  23  -0.935  -0.110 -14.299
  162   2HG   PRO  23          1HG       PRO  23   0.758  -0.639 -14.139
  163   1HD   PRO  23          1HD       PRO  23  -1.394  -0.555 -11.950
  164   2HD   PRO  23          2HD       PRO  23  -0.195  -1.834 -12.332
  165    HA   PRO  24           HA       PRO  24   1.940   4.507  -9.356
  166   1HB   PRO  24          2HB       PRO  24   2.683   6.749 -10.919
  167   2HB   PRO  24          1HB       PRO  24   3.750   5.498 -10.283
  168   1HG   PRO  24          2HG       PRO  24   2.538   5.683 -13.074
  169   2HG   PRO  24          1HG       PRO  24   4.228   5.331 -12.630
  170   1HD   PRO  24          2HD       PRO  24   2.486   3.319 -13.279
  171   2HD   PRO  24          1HD       PRO  24   3.689   3.067 -11.989
  172    H    GLY  25           H        GLY  25   0.479   5.776  -8.437
  173   1HA   GLY  25          1HA       GLY  25  -1.320   7.486  -8.378
  174   2HA   GLY  25          2HA       GLY  25  -1.770   7.142 -10.013
  175    H    GLN  26           H        GLN  26  -2.131   4.397 -10.003
  176    HA   GLN  26           HA       GLN  26  -4.813   4.094  -9.065
  177   1HB   GLN  26          2HB       GLN  26  -2.763   1.908  -9.784
  178   2HB   GLN  26          1HB       GLN  26  -4.463   1.598  -9.577
  179   1HG   GLN  26          2HG       GLN  26  -5.080   3.076 -11.470
  180   2HG   GLN  26          1HG       GLN  26  -3.408   3.546 -11.696
  181   1HE2  GLN  26          2HE2      GLN  26  -4.340  -0.326 -12.880
  182   2HE2  GLN  26          1HE2      GLN  26  -5.191   0.391 -11.420
  183    H    CYS  27           H        CYS  27  -1.922   3.207  -7.141
  184    HA   CYS  27           HA       CYS  27  -3.294   1.250  -5.467
  185   1HB   CYS  27          1HB       CYS  27  -0.818   1.312  -5.752
  186   2HB   CYS  27          2HB       CYS  27  -0.730   2.794  -4.767
  187    NH1  ARG  28           NH1      ARG  28  -5.654   7.815  -6.061
  188    NH2  ARG  28           NH2      ARG  28  -6.842   7.308  -7.929
  189    H    ARG  28           H        ARG  28  -4.958   1.747  -4.275
  190    HA   ARG  28           HA       ARG  28  -5.151   4.328  -2.661
  191   1HB   ARG  28          1HB       ARG  28  -7.336   2.254  -3.322
  192   2HB   ARG  28          2HB       ARG  28  -7.573   3.788  -2.506
  193   1HG   ARG  28          2HG       ARG  28  -6.865   3.347  -5.432
  194   2HG   ARG  28          1HG       ARG  28  -8.368   3.954  -4.768
  195   1HD   ARG  28          2HD       ARG  28  -7.223   6.078  -4.009
  196   2HD   ARG  28          1HD       ARG  28  -5.666   5.455  -4.596
  197    HE   ARG  28           HE       ARG  28  -7.723   5.407  -6.723
  198   1HH1  ARG  28          1HH1      ARG  28  -5.413   7.566  -5.095
  199   2HH1  ARG  28          2HH1      ARG  28  -5.302   8.617  -6.595
  200   1HH2  ARG  28          2HH2      ARG  28  -7.506   6.676  -8.391
  201   2HH2  ARG  28          1HH2      ARG  28  -6.408   8.146  -8.332
  202    H    PHE  29           H        PHE  29  -5.708   4.295  -0.510
  203    HA   PHE  29           HA       PHE  29  -5.106   1.699   1.052
  204   1HB   PHE  29          1HB       PHE  29  -3.971   4.521   1.520
  205   2HB   PHE  29          2HB       PHE  29  -3.963   3.274   2.734
  206    HD1  PHE  29           HD1      PHE  29  -2.714   4.008  -0.759
  207    HD2  PHE  29           HD2      PHE  29  -2.271   1.541   2.742
  208    HE1  PHE  29           HE1      PHE  29  -0.681   3.013  -1.706
  209    HE2  PHE  29           HE2      PHE  29  -0.213   0.585   1.789
  210    HZ   PHE  29           HZ       PHE  29   0.578   1.322  -0.434
  211    HA   PRO  30           HA       PRO  30  -9.157   3.506   2.605
  212   1HB   PRO  30          1HB       PRO  30 -10.621   1.155   2.794
  213   2HB   PRO  30          2HB       PRO  30 -10.399   2.068   1.299
  214   1HG   PRO  30          1HG       PRO  30  -8.852  -0.400   2.203
  215   2HG   PRO  30          2HG       PRO  30  -9.569  -0.099   0.633
  216   1HD   PRO  30          1HD       PRO  30  -6.878   0.342   1.185
  217   2HD   PRO  30          2HD       PRO  30  -7.747   1.344  -0.009
  218    NH1  ARG  31           NH1      ARG  31 -10.226   8.506   4.508
  219    NH2  ARG  31           NH2      ARG  31  -8.525   9.929   5.008
  220    H    ARG  31           H        ARG  31  -9.963   3.606   4.619
  221    HA   ARG  31           HA       ARG  31  -7.997   3.122   6.708
  222   1HB   ARG  31          1HB       ARG  31 -10.781   4.466   6.772
  223   2HB   ARG  31          2HB       ARG  31  -9.663   4.495   8.121
  224   1HG   ARG  31          1HG       ARG  31  -7.924   5.662   6.741
  225   2HG   ARG  31          2HG       ARG  31  -9.022   5.683   5.360
  226   1HD   ARG  31          2HD       ARG  31 -10.706   7.040   6.735
  227   2HD   ARG  31          1HD       ARG  31  -9.578   7.029   8.082
  228    HE   ARG  31           HE       ARG  31  -8.131   8.615   6.974
  229   1HH1  ARG  31          2HH1      ARG  31 -10.766   7.676   4.775
  230   2HH1  ARG  31          1HH1      ARG  31 -10.367   9.090   3.676
  231   1HH2  ARG  31          2HH2      ARG  31  -7.769  10.185   5.653
  232   2HH2  ARG  31          1HH2      ARG  31  -8.785  10.413   4.142
  233    H    GLY  32           H        GLY  32  -8.734   2.687   9.004
  234   1HA   GLY  32          1HA       GLY  32  -9.677   1.328  10.708
  235   2HA   GLY  32          2HA       GLY  32 -10.924   0.822   9.590
  236    H    ASP  33           H        ASP  33 -10.816  -1.213   8.896
  237    HA   ASP  33           HA       ASP  33  -8.164  -2.712   8.738
  238   1HB   ASP  33          2HB       ASP  33  -9.385  -3.449  10.848
  239   2HB   ASP  33          1HB       ASP  33 -10.730  -4.006   9.868
  240    H    ALA  34           H        ALA  34  -8.647  -1.570   6.645
  241    HA   ALA  34           HA       ALA  34  -9.894  -3.626   4.747
  242   1HB   ALA  34          3HB       ALA  34 -10.054  -0.557   4.453
  243   2HB   ALA  34          1HB       ALA  34 -10.624  -1.760   3.266
  244   3HB   ALA  34          2HB       ALA  34 -11.400  -1.655   4.859
  245    H    ASP  35           H        ASP  35  -8.552  -4.319   3.371
  246    HA   ASP  35           HA       ASP  35  -5.700  -3.629   3.423
  247   1HB   ASP  35          1HB       ASP  35  -7.190  -5.598   1.605
  248   2HB   ASP  35          2HB       ASP  35  -5.455  -5.420   1.610
  249    HA   PRO  36           HA       PRO  36  -5.318  -0.745  -0.032
  250   1HB   PRO  36          1HB       PRO  36  -2.669  -1.962  -0.822
  251   2HB   PRO  36          2HB       PRO  36  -3.035  -0.318  -0.293
  252   1HG   PRO  36          2HG       PRO  36  -1.753  -2.116   1.360
  253   2HG   PRO  36          1HG       PRO  36  -2.890  -0.913   2.006
  254   1HD   PRO  36          1HD       PRO  36  -3.465  -3.885   1.490
  255   2HD   PRO  36          2HD       PRO  36  -3.874  -2.904   2.848
  256    OH   TYR  37           OH       TYR  37 -10.762   2.696  -3.161
  257    H    TYR  37           H        TYR  37  -6.059  -0.672  -2.071
  258    HA   TYR  37           HA       TYR  37  -6.022  -3.209  -3.804
  259   1HB   TYR  37          2HB       TYR  37  -8.214  -2.719  -4.641
  260   2HB   TYR  37          1HB       TYR  37  -8.233  -2.919  -2.922
  261    HD1  TYR  37           HD1      TYR  37  -8.684  -0.454  -5.677
  262    HD2  TYR  37           HD2      TYR  37  -8.841  -1.022  -1.422
  263    HE1  TYR  37           HE1      TYR  37  -9.910   1.666  -5.436
  264    HE2  TYR  37           HE2      TYR  37 -10.068   1.081  -1.177
  265    HH   TYR  37           HH       TYR  37 -10.944   2.849  -2.231
  266    H    CYS  38           H        CYS  38  -5.467  -3.074  -5.836
  267    HA   CYS  38           HA       CYS  38  -4.382  -0.510  -7.008
  268   1HB   CYS  38          1HB       CYS  38  -3.170  -2.717  -7.266
  269   2HB   CYS  38          2HB       CYS  38  -4.492  -3.301  -8.310
  270    H    GLU  39           H        GLU  39  -5.727   0.807  -7.982
  271    HA   GLU  39           HA       GLU  39  -8.557   0.072  -8.491
  272   1HB   GLU  39          1HB       GLU  39  -7.696   2.174  -7.316
  273   2HB   GLU  39          2HB       GLU  39  -7.133   2.783  -8.866
  274   1HG   GLU  39          2HG       GLU  39  -9.554   2.690  -9.725
  275   2HG   GLU  39          1HG       GLU  39 -10.071   2.074  -8.158
   
  Start of MODEL          16
 Raw file had 275 H/Q atoms
  Start of MODEL   16
    1   1H    ALA   1          3H        ALA   1  16.728  -8.234 -13.149
    2   2H    ALA   1          2H        ALA   1  16.811  -9.010 -11.693
    3   3H    ALA   1          1H        ALA   1  16.558  -9.875 -13.077
    4    HA   ALA   1           HA       ALA   1  14.428  -8.865 -13.443
    5   1HB   ALA   1          3HB       ALA   1  14.519 -10.998 -12.153
    6   2HB   ALA   1          2HB       ALA   1  14.724 -10.105 -10.622
    7   3HB   ALA   1          1HB       ALA   1  13.206  -9.974 -11.543
    8    HA   PRO   2           HA       PRO   2  14.072  -4.798 -11.391
    9   1HB   PRO   2          1HB       PRO   2  11.523  -4.020 -12.124
   10   2HB   PRO   2          2HB       PRO   2  12.875  -4.153 -13.254
   11   1HG   PRO   2          1HG       PRO   2  10.658  -6.200 -12.754
   12   2HG   PRO   2          2HG       PRO   2  11.264  -5.605 -14.318
   13   1HD   PRO   2          1HD       PRO   2  12.123  -8.002 -13.196
   14   2HD   PRO   2          2HD       PRO   2  13.212  -7.005 -14.206
   15    NH1  ARG   3           NH1      ARG   3  10.646  -8.539  -5.222
   16    NH2  ARG   3           NH2      ARG   3   9.041  -6.937  -5.365
   17    H    ARG   3           H        ARG   3  13.958  -4.503  -9.272
   18    HA   ARG   3           HA       ARG   3  11.969  -5.954  -7.534
   19   1HB   ARG   3          2HB       ARG   3  14.363  -6.016  -6.930
   20   2HB   ARG   3          1HB       ARG   3  14.436  -4.268  -6.833
   21   1HG   ARG   3          1HG       ARG   3  14.396  -5.192  -4.628
   22   2HG   ARG   3          2HG       ARG   3  12.939  -4.254  -4.839
   23   1HD   ARG   3          2HD       ARG   3  13.022  -7.336  -5.152
   24   2HD   ARG   3          1HD       ARG   3  12.812  -6.558  -3.587
   25    HE   ARG   3           HE       ARG   3  10.732  -5.328  -4.844
   26   1HH1  ARG   3          1HH1      ARG   3  11.632  -8.762  -5.048
   27   2HH1  ARG   3          2HH1      ARG   3   9.896  -9.202  -5.445
   28   1HH2  ARG   3          1HH2      ARG   3   8.403  -7.711  -5.579
   29   2HH2  ARG   3          2HH2      ARG   3   8.801  -5.942  -5.303
   30    H    LEU   4           H        LEU   4  10.073  -4.975  -7.591
   31    HA   LEU   4           HA       LEU   4   9.549  -2.102  -7.800
   32   1HB   LEU   4          1HB       LEU   4   7.658  -4.341  -6.891
   33   2HB   LEU   4          2HB       LEU   4   7.205  -2.702  -7.317
   34    HG   LEU   4           HG       LEU   4   8.374  -4.786  -9.247
   35   1HD1  LEU   4          1HD1      LEU   4   6.010  -5.209  -8.510
   36   2HD1  LEU   4          2HD1      LEU   4   5.541  -3.566  -9.008
   37   3HD1  LEU   4          3HD1      LEU   4   6.073  -4.754 -10.227
   38   1HD2  LEU   4          3HD2      LEU   4   7.405  -1.924  -9.908
   39   2HD2  LEU   4          2HD2      LEU   4   9.087  -2.498 -10.010
   40   3HD2  LEU   4          1HD2      LEU   4   7.859  -3.170 -11.093
   41    HA   PRO   5           HA       PRO   5   9.891  -1.069  -3.236
   42   1HB   PRO   5          1HB       PRO   5   8.167   1.263  -4.265
   43   2HB   PRO   5          2HB       PRO   5   9.553   1.312  -3.152
   44   1HG   PRO   5          2HG       PRO   5   9.903   2.039  -5.737
   45   2HG   PRO   5          1HG       PRO   5  11.129   0.996  -4.971
   46   1HD   PRO   5          1HD       PRO   5   8.849   0.151  -6.849
   47   2HD   PRO   5          2HD       PRO   5  10.566  -0.357  -6.854
   48    H    GLN   6           H        GLN   6   8.250  -0.351  -1.538
   49    HA   GLN   6           HA       GLN   6   5.533  -1.670  -1.890
   50   1HB   GLN   6          1HB       GLN   6   6.943  -2.257   0.125
   51   2HB   GLN   6          2HB       GLN   6   6.814  -0.602   0.692
   52   1HG   GLN   6          2HG       GLN   6   5.218  -1.912   1.905
   53   2HG   GLN   6          1HG       GLN   6   4.285  -0.895   0.823
   54   1HE2  GLN   6          2HE2      GLN   6   2.534  -3.901  -0.091
   55   2HE2  GLN   6          1HE2      GLN   6   2.499  -2.144   0.436
   56    H    CYS   7           H        CYS   7   3.804  -0.513  -1.930
   57    HA   CYS   7           HA       CYS   7   3.878   2.245  -2.914
   58   1HB   CYS   7          1HB       CYS   7   1.484   0.505  -2.067
   59   2HB   CYS   7          2HB       CYS   7   1.311   2.101  -2.821
   60    H    GLN   8           H        GLN   8   2.939   4.101  -2.152
   61    HA   GLN   8           HA       GLN   8   2.692   4.456   0.894
   62   1HB   GLN   8          1HB       GLN   8   3.670   6.483  -1.218
   63   2HB   GLN   8          2HB       GLN   8   3.340   6.866   0.470
   64   1HG   GLN   8          2HG       GLN   8   5.099   5.254   1.238
   65   2HG   GLN   8          1HG       GLN   8   5.455   4.802  -0.421
   66   1HE2  GLN   8          2HE2      GLN   8   7.450   7.763  -0.998
   67   2HE2  GLN   8          1HE2      GLN   8   6.653   6.276  -1.724
   68    H    GLY   9           H        GLY   9   1.420   5.786  -2.208
   69   1HA   GLY   9          1HA       GLY   9  -1.305   5.630  -1.906
   70   2HA   GLY   9          2HA       GLY   9  -1.020   6.961  -0.792
   71    H    ASP  10           H        ASP  10  -1.463   6.134  -3.984
   72    HA   ASP  10           HA       ASP  10  -1.224   7.090  -6.099
   73   1HB   ASP  10          1HB       ASP  10  -1.396   9.770  -4.600
   74   2HB   ASP  10          2HB       ASP  10  -1.356   9.584  -6.343
   75    H    ASP  11           H        ASP  11   0.705   6.165  -6.500
   76    HA   ASP  11           HA       ASP  11   3.235   7.322  -5.403
   77   1HB   ASP  11          1HB       ASP  11   2.541   4.689  -6.884
   78   2HB   ASP  11          2HB       ASP  11   4.176   5.119  -6.451
   79    H    GLN  12           H        GLN  12   5.118   7.644  -6.533
   80    HA   GLN  12           HA       GLN  12   4.956   8.840  -9.255
   81   1HB   GLN  12          1HB       GLN  12   7.401   8.300  -7.436
   82   2HB   GLN  12          2HB       GLN  12   7.442   9.133  -8.976
   83   1HG   GLN  12          1HG       GLN  12   7.489  10.845  -7.402
   84   2HG   GLN  12          2HG       GLN  12   5.891  10.922  -8.102
   85   1HE2  GLN  12          2HE2      GLN  12   6.290  10.057  -4.070
   86   2HE2  GLN  12          1HE2      GLN  12   7.718   9.892  -5.214
   87    H    GLU  13           H        GLU  13   6.417   5.816  -7.947
   88    HA   GLU  13           HA       GLU  13   6.841   4.810 -10.827
   89   1HB   GLU  13          1HB       GLU  13   8.395   4.013  -8.265
   90   2HB   GLU  13          2HB       GLU  13   8.536   3.219  -9.807
   91   1HG   GLU  13          1HG       GLU  13  10.417   4.571  -9.753
   92   2HG   GLU  13          2HG       GLU  13   9.346   5.342 -10.905
   93    H    LYS  14           H        LYS  14   6.830   2.399 -10.874
   94    HA   LYS  14           HA       LYS  14   4.166   1.350 -10.054
   95   1HB   LYS  14          1HB       LYS  14   5.268   0.760 -12.248
   96   2HB   LYS  14          2HB       LYS  14   6.526  -0.124 -11.381
   97   1HG   LYS  14          2HG       LYS  14   4.679  -1.648 -10.420
   98   2HG   LYS  14          1HG       LYS  14   3.511  -0.806 -11.420
   99   1HD   LYS  14          1HD       LYS  14   5.965  -2.363 -12.449
  100   2HD   LYS  14          2HD       LYS  14   4.353  -3.028 -12.330
  101   1HE   LYS  14          2HE       LYS  14   5.137  -0.660 -14.167
  102   2HE   LYS  14          1HE       LYS  14   5.015  -2.343 -14.667
  103   1HZ   LYS  14          3HZ       LYS  14   2.648  -2.308 -14.076
  104   2HZ   LYS  14          2HZ       LYS  14   2.748  -0.722 -13.623
  105   3HZ   LYS  14          1HZ       LYS  14   3.001  -1.149 -15.199
  106    H    CYS  15           H        CYS  15   3.754   0.177  -8.237
  107    HA   CYS  15           HA       CYS  15   5.991  -0.957  -6.512
  108   1HB   CYS  15          1HB       CYS  15   5.170   0.379  -4.523
  109   2HB   CYS  15          2HB       CYS  15   5.736   1.443  -5.828
  110    H    LEU  16           H        LEU  16   5.139  -1.977  -4.579
  111    HA   LEU  16           HA       LEU  16   3.023  -4.002  -5.226
  112   1HB   LEU  16          2HB       LEU  16   4.712  -3.525  -2.692
  113   2HB   LEU  16          1HB       LEU  16   3.581  -4.841  -2.835
  114    HG   LEU  16           HG       LEU  16   6.002  -4.498  -4.709
  115   1HD1  LEU  16          3HD2      LEU  16   6.756  -4.765  -2.350
  116   2HD1  LEU  16          1HD2      LEU  16   5.732  -6.206  -2.147
  117   3HD1  LEU  16          2HD2      LEU  16   7.111  -6.236  -3.275
  118   1HD2  LEU  16          2HD1      LEU  16   4.141  -6.926  -4.216
  119   2HD2  LEU  16          3HD1      LEU  16   4.201  -5.941  -5.697
  120   3HD2  LEU  16          1HD1      LEU  16   5.601  -6.929  -5.240
  121    H    CYS  17           H        CYS  17   0.972  -3.446  -4.988
  122    HA   CYS  17           HA       CYS  17   0.009  -1.553  -2.794
  123   1HB   CYS  17          1HB       CYS  17  -0.712  -1.402  -5.338
  124   2HB   CYS  17          2HB       CYS  17  -1.821  -2.736  -4.944
  125    H    ASN  18           H        ASN  18   0.188  -2.802  -1.028
  126    HA   ASN  18           HA       ASN  18  -0.107  -4.431   0.595
  127   1HB   ASN  18          1HB       ASN  18  -2.551  -4.437   0.161
  128   2HB   ASN  18          2HB       ASN  18  -2.358  -5.619  -1.114
  129   1HD2  ASN  18          1HD2      ASN  18  -2.838  -8.238   1.216
  130   2HD2  ASN  18          2HD2      ASN  18  -3.338  -7.365  -0.320
  131    H    LYS  19           H        LYS  19  -0.745  -6.537  -2.122
  132    HA   LYS  19           HA       LYS  19   2.121  -7.209  -2.544
  133   1HB   LYS  19          1HB       LYS  19   1.875  -9.708  -2.281
  134   2HB   LYS  19          2HB       LYS  19   1.938  -8.796  -0.795
  135   1HG   LYS  19          2HG       LYS  19  -0.442  -9.083  -0.347
  136   2HG   LYS  19          1HG       LYS  19  -0.766  -9.730  -1.943
  137   1HD   LYS  19          2HD       LYS  19   0.714 -11.755  -1.390
  138   2HD   LYS  19          1HD       LYS  19   1.017 -11.063   0.196
  139   1HE   LYS  19          2HE       LYS  19  -0.680 -12.730   0.517
  140   2HE   LYS  19          1HE       LYS  19  -1.486 -11.176   0.720
  141   1HZ   LYS  19          2HZ       LYS  19  -1.560 -12.860  -1.746
  142   2HZ   LYS  19          3HZ       LYS  19  -2.787 -12.678  -0.655
  143   3HZ   LYS  19          1HZ       LYS  19  -2.313 -11.399  -1.587
  144    H    ASP  20           H        ASP  20   0.511  -5.872  -4.184
  145    HA   ASP  20           HA       ASP  20   0.176  -7.741  -6.586
  146   1HB   ASP  20          2HB       ASP  20  -1.807  -5.579  -5.586
  147   2HB   ASP  20          1HB       ASP  20  -1.893  -6.346  -7.160
  148    H    GLU  21           H        GLU  21   1.474  -6.974  -8.171
  149    HA   GLU  21           HA       GLU  21   2.787  -4.396  -8.121
  150   1HB   GLU  21          1HB       GLU  21   3.669  -4.934 -10.322
  151   2HB   GLU  21          2HB       GLU  21   3.834  -6.261  -9.184
  152   1HG   GLU  21          1HG       GLU  21   1.921  -7.473 -10.323
  153   2HG   GLU  21          2HG       GLU  21   1.761  -6.148 -11.474
  154    H    CYS  22           H        CYS  22   2.109  -2.495  -8.624
  155    HA   CYS  22           HA       CYS  22  -0.503  -2.092 -10.175
  156   1HB   CYS  22          1HB       CYS  22  -0.783  -2.213  -7.681
  157   2HB   CYS  22          2HB       CYS  22   0.241  -0.765  -7.510
  158    HA   PRO  23           HA       PRO  23   2.104   1.141 -12.199
  159   1HB   PRO  23          1HB       PRO  23  -0.626   2.176 -13.127
  160   2HB   PRO  23          2HB       PRO  23   0.853   1.928 -14.074
  161   1HG   PRO  23          2HG       PRO  23  -1.185   0.120 -14.209
  162   2HG   PRO  23          1HG       PRO  23   0.501  -0.443 -14.192
  163   1HD   PRO  23          1HD       PRO  23  -1.500  -0.432 -11.880
  164   2HD   PRO  23          2HD       PRO  23  -0.277  -1.661 -12.331
  165    HA   PRO  24           HA       PRO  24   2.061   4.911  -9.604
  166   1HB   PRO  24          1HB       PRO  24   2.040   6.384 -12.339
  167   2HB   PRO  24          2HB       PRO  24   3.012   6.776 -10.913
  168   1HG   PRO  24          2HG       PRO  24   4.145   5.375 -12.924
  169   2HG   PRO  24          1HG       PRO  24   4.443   4.886 -11.252
  170   1HD   PRO  24          2HD       PRO  24   2.613   3.542 -13.266
  171   2HD   PRO  24          1HD       PRO  24   3.603   2.826 -11.976
  172    H    GLY  25           H        GLY  25   0.562   6.060  -8.583
  173   1HA   GLY  25          1HA       GLY  25  -1.375   7.522  -8.311
  174   2HA   GLY  25          2HA       GLY  25  -1.864   7.272  -9.952
  175    H    GLN  26           H        GLN  26  -2.042   4.471 -10.054
  176    HA   GLN  26           HA       GLN  26  -4.736   4.044  -9.127
  177   1HB   GLN  26          2HB       GLN  26  -2.600   2.043 -10.110
  178   2HB   GLN  26          1HB       GLN  26  -4.242   1.553  -9.761
  179   1HG   GLN  26          2HG       GLN  26  -5.207   3.023 -11.467
  180   2HG   GLN  26          1HG       GLN  26  -3.656   3.778 -11.784
  181   1HE2  GLN  26          2HE2      GLN  26  -4.109  -0.072 -13.273
  182   2HE2  GLN  26          1HE2      GLN  26  -4.884   0.362 -11.666
  183    H    CYS  27           H        CYS  27  -1.825   3.269  -7.207
  184    HA   CYS  27           HA       CYS  27  -3.147   1.208  -5.577
  185   1HB   CYS  27          1HB       CYS  27  -0.689   1.361  -5.761
  186   2HB   CYS  27          2HB       CYS  27  -0.686   2.875  -4.818
  187    NH1  ARG  28           NH1      ARG  28  -6.325   7.052  -7.084
  188    NH2  ARG  28           NH2      ARG  28  -7.474   6.112  -8.803
  189    H    ARG  28           H        ARG  28  -4.909   1.641  -4.501
  190    HA   ARG  28           HA       ARG  28  -5.417   4.254  -3.059
  191   1HB   ARG  28          2HB       ARG  28  -7.302   1.853  -3.456
  192   2HB   ARG  28          1HB       ARG  28  -7.762   3.445  -2.880
  193   1HG   ARG  28          1HG       ARG  28  -6.930   2.639  -5.696
  194   2HG   ARG  28          2HG       ARG  28  -8.515   3.144  -5.142
  195   1HD   ARG  28          2HD       ARG  28  -7.649   5.495  -4.722
  196   2HD   ARG  28          1HD       ARG  28  -6.030   4.985  -5.251
  197    HE   ARG  28           HE       ARG  28  -8.108   4.352  -7.275
  198   1HH1  ARG  28          2HH1      ARG  28  -6.040   6.995  -6.100
  199   2HH1  ARG  28          1HH1      ARG  28  -6.079   7.789  -7.753
  200   1HH2  ARG  28          2HH2      ARG  28  -8.065   5.341  -9.132
  201   2HH2  ARG  28          1HH2      ARG  28  -7.148   6.915  -9.352
  202    H    PHE  29           H        PHE  29  -5.903   4.379  -0.895
  203    HA   PHE  29           HA       PHE  29  -5.159   1.967   0.889
  204   1HB   PHE  29          2HB       PHE  29  -4.279   4.901   1.108
  205   2HB   PHE  29          1HB       PHE  29  -4.296   3.842   2.487
  206    HD1  PHE  29           HD1      PHE  29  -2.887   3.998  -1.041
  207    HD2  PHE  29           HD2      PHE  29  -2.433   2.404   2.935
  208    HE1  PHE  29           HE1      PHE  29  -0.753   2.981  -1.682
  209    HE2  PHE  29           HE2      PHE  29  -0.276   1.424   2.277
  210    HZ   PHE  29           HZ       PHE  29   0.551   1.690  -0.039
  211    HA   PRO  30           HA       PRO  30  -9.392   3.384   2.306
  212   1HB   PRO  30          1HB       PRO  30 -10.585   0.919   2.641
  213   2HB   PRO  30          2HB       PRO  30 -10.378   1.690   1.065
  214   1HG   PRO  30          1HG       PRO  30  -8.650  -0.492   2.301
  215   2HG   PRO  30          2HG       PRO  30  -9.281  -0.425   0.671
  216   1HD   PRO  30          1HD       PRO  30  -6.696   0.370   1.412
  217   2HD   PRO  30          2HD       PRO  30  -7.527   1.054  -0.022
  218    NH1  ARG  31           NH1      ARG  31 -13.988   7.452   8.698
  219    NH2  ARG  31           NH2      ARG  31 -13.142   6.522  10.593
  220    H    ARG  31           H        ARG  31 -10.308   3.452   4.316
  221    HA   ARG  31           HA       ARG  31  -8.408   3.417   6.485
  222   1HB   ARG  31          2HB       ARG  31 -10.096   4.550   7.795
  223   2HB   ARG  31          1HB       ARG  31 -10.065   5.195   6.177
  224   1HG   ARG  31          1HG       ARG  31 -12.159   3.910   5.597
  225   2HG   ARG  31          2HG       ARG  31 -12.205   3.200   7.201
  226   1HD   ARG  31          1HD       ARG  31 -12.378   6.237   6.624
  227   2HD   ARG  31          2HD       ARG  31 -13.773   5.173   6.823
  228    HE   ARG  31           HE       ARG  31 -12.157   4.830   9.204
  229   1HH1  ARG  31          1HH1      ARG  31 -14.396   8.160   9.319
  230   2HH1  ARG  31          2HH1      ARG  31 -14.075   7.407   7.677
  231   1HH2  ARG  31          1HH2      ARG  31 -12.586   5.772  11.018
  232   2HH2  ARG  31          2HH2      ARG  31 -13.608   7.294  11.082
  233    H    GLY  32           H        GLY  32  -8.816   2.759   8.698
  234   1HA   GLY  32          1HA       GLY  32  -9.382   1.261  10.449
  235   2HA   GLY  32          2HA       GLY  32 -10.667   0.628   9.446
  236    H    ASP  33           H        ASP  33 -10.441  -1.460   9.214
  237    HA   ASP  33           HA       ASP  33  -7.684  -2.780   8.834
  238   1HB   ASP  33          2HB       ASP  33  -8.938  -3.496  10.943
  239   2HB   ASP  33          1HB       ASP  33 -10.227  -4.132   9.937
  240    H    ALA  34           H        ALA  34  -8.446  -1.530   6.731
  241    HA   ALA  34           HA       ALA  34  -9.369  -3.751   4.819
  242   1HB   ALA  34          1HB       ALA  34 -11.064  -1.934   4.916
  243   2HB   ALA  34          3HB       ALA  34  -9.830  -0.722   4.471
  244   3HB   ALA  34          2HB       ALA  34 -10.283  -2.010   3.324
  245    H    ASP  35           H        ASP  35  -7.900  -4.348   3.550
  246    HA   ASP  35           HA       ASP  35  -5.163  -3.254   3.603
  247   1HB   ASP  35          1HB       ASP  35  -6.313  -5.612   1.976
  248   2HB   ASP  35          2HB       ASP  35  -4.625  -5.144   1.938
  249    HA   PRO  36           HA       PRO  36  -5.301  -0.608   0.004
  250   1HB   PRO  36          2HB       PRO  36  -2.616  -0.428  -0.772
  251   2HB   PRO  36          1HB       PRO  36  -3.351   0.328   0.644
  252   1HG   PRO  36          1HG       PRO  36  -1.729  -2.230   0.541
  253   2HG   PRO  36          2HG       PRO  36  -1.651  -0.933   1.743
  254   1HD   PRO  36          1HD       PRO  36  -3.047  -3.325   2.141
  255   2HD   PRO  36          2HD       PRO  36  -3.530  -1.793   2.928
  256    OH   TYR  37           OH       TYR  37 -10.814   1.934  -3.272
  257    H    TYR  37           H        TYR  37  -5.998  -0.814  -1.946
  258    HA   TYR  37           HA       TYR  37  -5.386  -3.328  -3.590
  259   1HB   TYR  37          1HB       TYR  37  -7.654  -3.254  -4.434
  260   2HB   TYR  37          2HB       TYR  37  -7.645  -3.347  -2.703
  261    HD1  TYR  37           HD1      TYR  37  -8.435  -1.139  -5.603
  262    HD2  TYR  37           HD2      TYR  37  -8.537  -1.462  -1.320
  263    HE1  TYR  37           HE1      TYR  37  -9.864   0.855  -5.483
  264    HE2  TYR  37           HE2      TYR  37  -9.973   0.518  -1.199
  265    HH   TYR  37           HH       TYR  37 -10.964   2.263  -4.161
  266    H    CYS  38           H        CYS  38  -5.090  -3.205  -5.743
  267    HA   CYS  38           HA       CYS  38  -4.305  -0.582  -6.994
  268   1HB   CYS  38          1HB       CYS  38  -3.060  -2.796  -7.384
  269   2HB   CYS  38          2HB       CYS  38  -4.433  -3.330  -8.385
  270    H    GLU  39           H        GLU  39  -5.564   0.579  -8.353
  271    HA   GLU  39           HA       GLU  39  -8.479   0.000  -8.371
  272   1HB   GLU  39          2HB       GLU  39  -7.414   2.295  -7.942
  273   2HB   GLU  39          1HB       GLU  39  -6.988   2.382  -9.634
  274   1HG   GLU  39          1HG       GLU  39  -8.983   3.667  -9.385
  275   2HG   GLU  39          2HG       GLU  39  -9.502   2.213 -10.211
   
  Start of MODEL          17
 Raw file had 275 H/Q atoms
  Start of MODEL   17
    1   1H    ALA   1          1H        ALA   1  10.980  -9.562 -15.146
    2   2H    ALA   1          3H        ALA   1  11.966 -10.399 -14.118
    3   3H    ALA   1          2H        ALA   1  10.713 -11.169 -14.871
    4    HA   ALA   1           HA       ALA   1   9.074  -9.881 -13.684
    5   1HB   ALA   1          3HB       ALA   1   9.745 -12.042 -12.709
    6   2HB   ALA   1          2HB       ALA   1  11.104 -11.283 -11.838
    7   3HB   ALA   1          1HB       ALA   1   9.425 -10.867 -11.419
    8    HA   PRO   2           HA       PRO   2  11.106  -5.814 -12.639
    9   1HB   PRO   2          1HB       PRO   2   8.233  -5.213 -11.728
   10   2HB   PRO   2          2HB       PRO   2   9.352  -4.186 -12.649
   11   1HG   PRO   2          2HG       PRO   2   7.382  -5.532 -13.945
   12   2HG   PRO   2          1HG       PRO   2   9.011  -5.488 -14.663
   13   1HD   PRO   2          1HD       PRO   2   7.720  -7.782 -13.081
   14   2HD   PRO   2          2HD       PRO   2   8.713  -7.836 -14.570
   15    NH1  ARG   3           NH1      ARG   3  18.153  -5.692  -5.941
   16    NH2  ARG   3           NH2      ARG   3  17.344  -5.726  -3.817
   17    H    ARG   3           H        ARG   3  12.096  -5.112 -10.843
   18    HA   ARG   3           HA       ARG   3  11.429  -6.281  -8.132
   19   1HB   ARG   3          2HB       ARG   3  13.769  -6.337  -9.048
   20   2HB   ARG   3          1HB       ARG   3  13.835  -4.579  -9.025
   21   1HG   ARG   3          1HG       ARG   3  13.490  -4.628  -6.504
   22   2HG   ARG   3          2HG       ARG   3  13.412  -6.393  -6.559
   23   1HD   ARG   3          1HD       ARG   3  15.777  -6.470  -7.481
   24   2HD   ARG   3          2HD       ARG   3  15.850  -4.698  -7.437
   25    HE   ARG   3           HE       ARG   3  15.138  -5.634  -4.761
   26   1HH1  ARG   3          1HH1      ARG   3  17.945  -5.659  -6.945
   27   2HH1  ARG   3          2HH1      ARG   3  19.081  -5.732  -5.506
   28   1HH2  ARG   3          1HH2      ARG   3  16.524  -5.718  -3.200
   29   2HH2  ARG   3          2HH2      ARG   3  18.328  -5.763  -3.530
   30    H    LEU   4           H        LEU   4   9.616  -5.188  -7.518
   31    HA   LEU   4           HA       LEU   4   9.398  -2.207  -7.749
   32   1HB   LEU   4          1HB       LEU   4   7.317  -4.331  -7.039
   33   2HB   LEU   4          2HB       LEU   4   7.017  -2.622  -7.297
   34    HG   LEU   4           HG       LEU   4   8.017  -4.602  -9.422
   35   1HD1  LEU   4          2HD1      LEU   4   5.651  -4.928  -8.728
   36   2HD1  LEU   4          1HD1      LEU   4   5.282  -3.217  -9.057
   37   3HD1  LEU   4          3HD1      LEU   4   5.746  -4.310 -10.393
   38   1HD2  LEU   4          3HD2      LEU   4   7.311  -1.619  -9.799
   39   2HD2  LEU   4          2HD2      LEU   4   8.924  -2.345  -9.995
   40   3HD2  LEU   4          1HD2      LEU   4   7.619  -2.778 -11.110
   41    HA   PRO   5           HA       PRO   5   9.773  -1.584  -3.104
   42   1HB   PRO   5          1HB       PRO   5   8.367   0.989  -4.047
   43   2HB   PRO   5          2HB       PRO   5   9.690   0.817  -2.866
   44   1HG   PRO   5          1HG       PRO   5  10.269   1.663  -5.358
   45   2HG   PRO   5          2HG       PRO   5  11.314   0.412  -4.640
   46   1HD   PRO   5          1HD       PRO   5   9.009   0.004  -6.644
   47   2HD   PRO   5          2HD       PRO   5  10.657  -0.698  -6.662
   48    H    GLN   6           H        GLN   6   8.107  -0.825  -1.375
   49    HA   GLN   6           HA       GLN   6   5.350  -1.887  -1.833
   50   1HB   GLN   6          1HB       GLN   6   6.995  -0.838   0.555
   51   2HB   GLN   6          2HB       GLN   6   5.280  -0.753   0.662
   52   1HG   GLN   6          2HG       GLN   6   6.798  -3.369   0.088
   53   2HG   GLN   6          1HG       GLN   6   6.326  -2.817   1.682
   54   1HE2  GLN   6          2HE2      GLN   6   3.536  -4.831  -0.402
   55   2HE2  GLN   6          1HE2      GLN   6   5.283  -4.653  -0.937
   56    H    CYS   7           H        CYS   7   3.613  -0.652  -1.904
   57    HA   CYS   7           HA       CYS   7   3.758   2.096  -3.009
   58   1HB   CYS   7          1HB       CYS   7   1.343   0.409  -2.118
   59   2HB   CYS   7          2HB       CYS   7   1.196   2.016  -2.857
   60    H    GLN   8           H        GLN   8   2.948   3.986  -2.192
   61    HA   GLN   8           HA       GLN   8   2.964   4.304   0.865
   62   1HB   GLN   8          1HB       GLN   8   3.872   6.294  -1.308
   63   2HB   GLN   8          2HB       GLN   8   3.761   6.652   0.414
   64   1HG   GLN   8          1HG       GLN   8   5.466   4.904   0.951
   65   2HG   GLN   8          2HG       GLN   8   5.584   4.442  -0.738
   66   1HE2  GLN   8          2HE2      GLN   8   7.702   7.255  -1.575
   67   2HE2  GLN   8          1HE2      GLN   8   6.647   5.894  -2.213
   68    H    GLY   9           H        GLY   9   1.610   6.059  -2.002
   69   1HA   GLY   9          1HA       GLY   9  -1.166   5.943  -1.304
   70   2HA   GLY   9          2HA       GLY   9  -0.555   7.311  -0.371
   71    H    ASP  10           H        ASP  10  -1.179   6.083  -3.565
   72    HA   ASP  10           HA       ASP  10  -1.286   6.993  -5.703
   73   1HB   ASP  10          1HB       ASP  10  -2.755   8.743  -4.597
   74   2HB   ASP  10          2HB       ASP  10  -1.354   9.800  -4.446
   75    H    ASP  11           H        ASP  11   0.692   6.119  -6.170
   76    HA   ASP  11           HA       ASP  11   3.195   7.358  -5.235
   77   1HB   ASP  11          1HB       ASP  11   2.578   4.784  -6.844
   78   2HB   ASP  11          2HB       ASP  11   4.198   5.255  -6.399
   79    H    GLN  12           H        GLN  12   5.044   7.721  -6.394
   80    HA   GLN  12           HA       GLN  12   4.807   9.050  -9.091
   81   1HB   GLN  12          2HB       GLN  12   7.255   8.580  -7.284
   82   2HB   GLN  12          1HB       GLN  12   7.326   9.391  -8.849
   83   1HG   GLN  12          1HG       GLN  12   5.739  11.169  -8.037
   84   2HG   GLN  12          2HG       GLN  12   5.643  10.397  -6.463
   85   1HE2  GLN  12          2HE2      GLN  12   8.824  11.753  -5.399
   86   2HE2  GLN  12          1HE2      GLN  12   7.449  10.589  -5.039
   87    H    GLU  13           H        GLU  13   6.442   6.074  -7.813
   88    HA   GLU  13           HA       GLU  13   6.787   5.100 -10.693
   89   1HB   GLU  13          1HB       GLU  13   8.567   3.660  -9.917
   90   2HB   GLU  13          2HB       GLU  13   8.903   5.320  -9.515
   91   1HG   GLU  13          1HG       GLU  13   8.294   4.871  -7.089
   92   2HG   GLU  13          2HG       GLU  13   7.859   3.214  -7.495
   93    H    LYS  14           H        LYS  14   6.879   2.692 -10.739
   94    HA   LYS  14           HA       LYS  14   4.193   1.561 -10.040
   95   1HB   LYS  14          1HB       LYS  14   5.420   1.102 -12.237
   96   2HB   LYS  14          2HB       LYS  14   6.600   0.138 -11.344
   97   1HG   LYS  14          2HG       LYS  14   4.705  -1.405 -10.601
   98   2HG   LYS  14          1HG       LYS  14   3.566  -0.407 -11.504
   99   1HD   LYS  14          2HD       LYS  14   4.814  -0.918 -13.649
  100   2HD   LYS  14          1HD       LYS  14   5.940  -1.937 -12.741
  101   1HE   LYS  14          2HE       LYS  14   3.996  -3.420 -12.020
  102   2HE   LYS  14          1HE       LYS  14   2.880  -2.412 -12.949
  103   1HZ   LYS  14          1HZ       LYS  14   5.175  -3.937 -14.090
  104   2HZ   LYS  14          3HZ       LYS  14   3.581  -4.353 -14.205
  105   3HZ   LYS  14          2HZ       LYS  14   4.137  -2.995 -14.964
  106    H    CYS  15           H        CYS  15   3.761   0.165  -8.393
  107    HA   CYS  15           HA       CYS  15   5.924  -0.800  -6.495
  108   1HB   CYS  15          1HB       CYS  15   5.001   0.490  -4.581
  109   2HB   CYS  15          2HB       CYS  15   5.501   1.605  -5.868
  110    H    LEU  16           H        LEU  16   4.966  -1.875  -4.614
  111    HA   LEU  16           HA       LEU  16   2.896  -3.893  -5.498
  112   1HB   LEU  16          2HB       LEU  16   4.675  -3.784  -3.002
  113   2HB   LEU  16          1HB       LEU  16   3.567  -5.090  -3.363
  114    HG   LEU  16           HG       LEU  16   5.993  -4.310  -5.073
  115   1HD1  LEU  16          2HD1      LEU  16   6.654  -5.224  -2.853
  116   2HD1  LEU  16          1HD1      LEU  16   5.635  -6.663  -3.107
  117   3HD1  LEU  16          3HD1      LEU  16   7.058  -6.372  -4.143
  118   1HD2  LEU  16          1HD2      LEU  16   4.110  -6.760  -5.339
  119   2HD2  LEU  16          2HD2      LEU  16   4.267  -5.425  -6.505
  120   3HD2  LEU  16          3HD2      LEU  16   5.627  -6.528  -6.247
  121    H    CYS  17           H        CYS  17   0.885  -3.377  -5.157
  122    HA   CYS  17           HA       CYS  17  -0.044  -1.583  -2.890
  123   1HB   CYS  17          1HB       CYS  17  -0.748  -1.349  -5.428
  124   2HB   CYS  17          2HB       CYS  17  -1.851  -2.708  -5.108
  125    H    ASN  18           H        ASN  18  -0.256  -2.725  -1.097
  126    HA   ASN  18           HA       ASN  18  -0.745  -4.348   0.508
  127   1HB   ASN  18          1HB       ASN  18  -3.003  -4.799  -0.284
  128   2HB   ASN  18          2HB       ASN  18  -2.435  -5.791  -1.599
  129   1HD2  ASN  18          1HD2      ASN  18  -2.083  -7.564   2.074
  130   2HD2  ASN  18          2HD2      ASN  18  -1.740  -5.774   1.773
  131    H    LYS  19           H        LYS  19  -0.507  -6.631  -2.048
  132    HA   LYS  19           HA       LYS  19   2.493  -6.653  -2.109
  133   1HB   LYS  19          2HB       LYS  19   2.816  -9.049  -1.599
  134   2HB   LYS  19          1HB       LYS  19   2.200  -8.153  -0.230
  135   1HG   LYS  19          1HG       LYS  19  -0.141  -9.058  -0.706
  136   2HG   LYS  19          2HG       LYS  19   0.516 -10.023  -2.025
  137   1HD   LYS  19          2HD       LYS  19   2.026 -11.228  -0.412
  138   2HD   LYS  19          1HD       LYS  19   1.427 -10.259   0.926
  139   1HE   LYS  19          2HE       LYS  19  -0.330 -12.150  -0.793
  140   2HE   LYS  19          1HE       LYS  19   0.417 -12.593   0.740
  141   1HZ   LYS  19          1HZ       LYS  19  -0.879 -10.843   1.837
  142   2HZ   LYS  19          2HZ       LYS  19  -1.596 -10.424   0.409
  143   3HZ   LYS  19          3HZ       LYS  19  -1.869 -11.916   1.063
  144    H    ASP  20           H        ASP  20   0.675  -5.860  -4.035
  145    HA   ASP  20           HA       ASP  20   0.935  -7.942  -6.272
  146   1HB   ASP  20          1HB       ASP  20  -1.547  -6.250  -5.498
  147   2HB   ASP  20          2HB       ASP  20  -1.403  -7.218  -6.952
  148    H    GLU  21           H        GLU  21   1.846  -7.108  -8.040
  149    HA   GLU  21           HA       GLU  21   2.845  -4.458  -8.244
  150   1HB   GLU  21          1HB       GLU  21   3.543  -5.008 -10.499
  151   2HB   GLU  21          2HB       GLU  21   3.865  -6.316  -9.375
  152   1HG   GLU  21          1HG       GLU  21   1.935  -7.622 -10.316
  153   2HG   GLU  21          2HG       GLU  21   1.566  -6.312 -11.438
  154    H    CYS  22           H        CYS  22   2.141  -2.599  -8.852
  155    HA   CYS  22           HA       CYS  22  -0.534  -2.259 -10.284
  156   1HB   CYS  22          1HB       CYS  22  -0.819  -2.413  -7.767
  157   2HB   CYS  22          2HB       CYS  22   0.143  -0.923  -7.601
  158    HA   PRO  23           HA       PRO  23   1.919   1.117 -12.259
  159   1HB   PRO  23          1HB       PRO  23  -0.882   2.219 -12.880
  160   2HB   PRO  23          2HB       PRO  23   0.515   2.066 -13.965
  161   1HG   PRO  23          2HG       PRO  23  -1.463   0.231 -14.120
  162   2HG   PRO  23          1HG       PRO  23   0.226  -0.331 -14.153
  163   1HD   PRO  23          1HD       PRO  23  -1.706  -0.328 -11.761
  164   2HD   PRO  23          2HD       PRO  23  -0.595  -1.618 -12.338
  165    HA   PRO  24           HA       PRO  24   2.004   4.590  -9.318
  166   1HB   PRO  24          2HB       PRO  24   2.801   6.769 -10.933
  167   2HB   PRO  24          1HB       PRO  24   3.837   5.480 -10.329
  168   1HG   PRO  24          2HG       PRO  24   2.528   5.679 -13.074
  169   2HG   PRO  24          1HG       PRO  24   4.219   5.267 -12.691
  170   1HD   PRO  24          2HD       PRO  24   2.379   3.312 -13.242
  171   2HD   PRO  24          1HD       PRO  24   3.619   3.034 -11.992
  172    H    GLY  25           H        GLY  25   0.508   5.789  -8.393
  173   1HA   GLY  25          1HA       GLY  25  -1.266   7.528  -8.319
  174   2HA   GLY  25          2HA       GLY  25  -1.700   7.228  -9.982
  175    H    GLN  26           H        GLN  26  -2.078   4.537 -10.101
  176    HA   GLN  26           HA       GLN  26  -4.783   4.305  -9.020
  177   1HB   GLN  26          1HB       GLN  26  -3.003   2.259 -10.501
  178   2HB   GLN  26          2HB       GLN  26  -4.682   1.963 -10.118
  179   1HG   GLN  26          2HG       GLN  26  -5.313   4.117 -11.391
  180   2HG   GLN  26          1HG       GLN  26  -3.652   4.219 -11.946
  181   1HE2  GLN  26          2HE2      GLN  26  -4.079   1.327 -14.188
  182   2HE2  GLN  26          1HE2      GLN  26  -2.844   2.135 -13.095
  183    H    CYS  27           H        CYS  27  -1.975   3.430  -7.231
  184    HA   CYS  27           HA       CYS  27  -3.260   1.179  -5.732
  185   1HB   CYS  27          1HB       CYS  27  -0.806   1.291  -5.887
  186   2HB   CYS  27          2HB       CYS  27  -0.777   2.827  -4.979
  187    NH1  ARG  28           NH1      ARG  28  -5.967   7.581  -6.802
  188    NH2  ARG  28           NH2      ARG  28  -6.821   6.824  -8.768
  189    H    ARG  28           H        ARG  28  -4.987   1.608  -4.604
  190    HA   ARG  28           HA       ARG  28  -5.442   4.271  -3.201
  191   1HB   ARG  28          1HB       ARG  28  -7.409   2.013  -3.925
  192   2HB   ARG  28          2HB       ARG  28  -7.843   3.562  -3.228
  193   1HG   ARG  28          2HG       ARG  28  -6.770   3.029  -6.031
  194   2HG   ARG  28          1HG       ARG  28  -8.393   3.522  -5.587
  195   1HD   ARG  28          2HD       ARG  28  -7.541   5.785  -4.846
  196   2HD   ARG  28          1HD       ARG  28  -5.875   5.283  -5.207
  197    HE   ARG  28           HE       ARG  28  -7.624   4.896  -7.552
  198   1HH1  ARG  28          1HH1      ARG  28  -5.831   7.417  -5.799
  199   2HH1  ARG  28          2HH1      ARG  28  -5.647   8.393  -7.342
  200   1HH2  ARG  28          2HH2      ARG  28  -7.334   6.089  -9.265
  201   2HH2  ARG  28          1HH2      ARG  28  -6.442   7.688  -9.172
  202    H    PHE  29           H        PHE  29  -5.892   4.411  -1.090
  203    HA   PHE  29           HA       PHE  29  -5.253   1.961   0.660
  204   1HB   PHE  29          1HB       PHE  29  -4.482   4.922   0.911
  205   2HB   PHE  29          2HB       PHE  29  -4.454   3.852   2.280
  206    HD1  PHE  29           HD1      PHE  29  -3.062   4.080  -1.260
  207    HD2  PHE  29           HD2      PHE  29  -2.542   2.501   2.714
  208    HE1  PHE  29           HE1      PHE  29  -0.882   3.157  -1.900
  209    HE2  PHE  29           HE2      PHE  29  -0.348   1.612   2.057
  210    HZ   PHE  29           HZ       PHE  29   0.464   1.903  -0.250
  211    HA   PRO  30           HA       PRO  30  -9.513   3.192   2.204
  212   1HB   PRO  30          1HB       PRO  30 -10.523   0.675   2.714
  213   2HB   PRO  30          2HB       PRO  30 -10.432   1.369   1.091
  214   1HG   PRO  30          1HG       PRO  30  -8.440  -0.555   2.397
  215   2HG   PRO  30          2HG       PRO  30  -9.203  -0.725   0.811
  216   1HD   PRO  30          1HD       PRO  30  -6.678   0.333   1.155
  217   2HD   PRO  30          2HD       PRO  30  -7.738   0.952  -0.143
  218    NH1  ARG  31           NH1      ARG  31 -14.186   5.178   8.976
  219    NH2  ARG  31           NH2      ARG  31 -12.997   4.435  10.765
  220    H    ARG  31           H        ARG  31 -10.324   3.333   4.242
  221    HA   ARG  31           HA       ARG  31  -8.331   3.428   6.348
  222   1HB   ARG  31          2HB       ARG  31 -10.044   4.624   7.657
  223   2HB   ARG  31          1HB       ARG  31  -9.872   5.222   6.041
  224   1HG   ARG  31          2HG       ARG  31 -12.180   5.350   6.583
  225   2HG   ARG  31          1HG       ARG  31 -12.017   4.140   5.338
  226   1HD   ARG  31          2HD       ARG  31 -13.699   3.413   6.950
  227   2HD   ARG  31          1HD       ARG  31 -12.355   2.307   7.007
  228    HE   ARG  31           HE       ARG  31 -11.815   2.994   9.262
  229   1HH1  ARG  31          1HH1      ARG  31 -14.355   5.121   7.965
  230   2HH1  ARG  31          2HH1      ARG  31 -14.673   5.782   9.647
  231   1HH2  ARG  31          1HH2      ARG  31 -12.261   3.815  11.121
  232   2HH2  ARG  31          2HH2      ARG  31 -13.566   5.091  11.311
  233    H    GLY  32           H        GLY  32  -8.878   2.969   8.658
  234   1HA   GLY  32          1HA       GLY  32  -9.484   1.576  10.474
  235   2HA   GLY  32          2HA       GLY  32 -10.662   0.804   9.440
  236    H    ASP  33           H        ASP  33 -10.261  -1.242   8.913
  237    HA   ASP  33           HA       ASP  33  -7.416  -2.344   8.798
  238   1HB   ASP  33          2HB       ASP  33  -8.498  -3.084  10.990
  239   2HB   ASP  33          1HB       ASP  33  -9.753  -3.908  10.078
  240    H    ALA  34           H        ALA  34  -8.076  -1.460   6.633
  241    HA   ALA  34           HA       ALA  34  -9.026  -3.813   4.926
  242   1HB   ALA  34          3HB       ALA  34  -9.719  -0.836   4.457
  243   2HB   ALA  34          1HB       ALA  34 -10.101  -2.186   3.357
  244   3HB   ALA  34          2HB       ALA  34 -10.847  -2.119   4.966
  245    H    ASP  35           H        ASP  35  -7.680  -4.312   3.435
  246    HA   ASP  35           HA       ASP  35  -4.949  -3.161   3.452
  247   1HB   ASP  35          1HB       ASP  35  -5.975  -5.526   1.790
  248   2HB   ASP  35          2HB       ASP  35  -4.316  -5.030   1.926
  249    HA   PRO  36           HA       PRO  36  -5.085  -0.516  -0.151
  250   1HB   PRO  36          2HB       PRO  36  -2.322  -1.399  -1.015
  251   2HB   PRO  36          1HB       PRO  36  -2.914   0.210  -0.596
  252   1HG   PRO  36          2HG       PRO  36  -1.333  -1.235   1.135
  253   2HG   PRO  36          1HG       PRO  36  -2.632  -0.180   1.734
  254   1HD   PRO  36          1HD       PRO  36  -2.714  -3.226   1.491
  255   2HD   PRO  36          2HD       PRO  36  -3.304  -2.165   2.763
  256    OH   TYR  37           OH       TYR  37 -10.803   2.452  -3.579
  257    H    TYR  37           H        TYR  37  -6.174  -0.762  -2.000
  258    HA   TYR  37           HA       TYR  37  -5.907  -3.344  -3.621
  259   1HB   TYR  37          1HB       TYR  37  -8.122  -3.034  -4.452
  260   2HB   TYR  37          2HB       TYR  37  -8.130  -3.045  -2.720
  261    HD1  TYR  37           HD1      TYR  37  -8.718  -0.949  -5.733
  262    HD2  TYR  37           HD2      TYR  37  -8.750  -0.975  -1.439
  263    HE1  TYR  37           HE1      TYR  37  -9.976   1.161  -5.727
  264    HE2  TYR  37           HE2      TYR  37 -10.012   1.127  -1.430
  265    HH   TYR  37           HH       TYR  37 -10.966   2.717  -2.671
  266    H    CYS  38           H        CYS  38  -5.401  -3.312  -5.705
  267    HA   CYS  38           HA       CYS  38  -4.411  -0.779  -7.013
  268   1HB   CYS  38          1HB       CYS  38  -3.145  -2.948  -7.241
  269   2HB   CYS  38          2HB       CYS  38  -4.482  -3.616  -8.212
  270    H    GLU  39           H        GLU  39  -5.740   0.450  -8.133
  271    HA   GLU  39           HA       GLU  39  -8.552  -0.326  -8.752
  272   1HB   GLU  39          1HB       GLU  39  -7.817   1.921  -7.827
  273   2HB   GLU  39          2HB       GLU  39  -7.057   2.303  -9.368
  274   1HG   GLU  39          1HG       GLU  39  -9.340   2.132 -10.496
  275   2HG   GLU  39          2HG       GLU  39 -10.068   1.714  -8.945
   
  Start of MODEL          18
 Raw file had 275 H/Q atoms
  Start of MODEL   18
    1   1H    ALA   1          2H        ALA   1   9.269 -11.865 -13.263
    2   2H    ALA   1          3H        ALA   1   9.839 -12.405 -11.810
    3   3H    ALA   1          1H        ALA   1   8.408 -12.979 -12.401
    4    HA   ALA   1           HA       ALA   1   7.359 -10.845 -12.225
    5   1HB   ALA   1          3HB       ALA   1   7.169 -12.422 -10.298
    6   2HB   ALA   1          2HB       ALA   1   8.674 -11.784  -9.582
    7   3HB   ALA   1          1HB       ALA   1   7.230 -10.750  -9.711
    8    HA   PRO   2           HA       PRO   2  10.324  -7.377 -12.259
    9   1HB   PRO   2          1HB       PRO   2   8.647  -5.194 -11.905
   10   2HB   PRO   2          2HB       PRO   2   8.659  -6.194 -13.360
   11   1HG   PRO   2          1HG       PRO   2   6.742  -6.402 -10.981
   12   2HG   PRO   2          2HG       PRO   2   6.328  -6.341 -12.710
   13   1HD   PRO   2          1HD       PRO   2   6.500  -8.725 -11.309
   14   2HD   PRO   2          2HD       PRO   2   6.968  -8.640 -13.032
   15    NH1  ARG   3           NH1      ARG   3  15.970  -2.664  -6.797
   16    NH2  ARG   3           NH2      ARG   3  16.674  -2.173  -8.901
   17    H    ARG   3           H        ARG   3  11.528  -6.046 -10.959
   18    HA   ARG   3           HA       ARG   3  11.326  -6.444  -7.983
   19   1HB   ARG   3          1HB       ARG   3  13.479  -6.738  -9.256
   20   2HB   ARG   3          2HB       ARG   3  13.477  -5.028  -9.668
   21   1HG   ARG   3          1HG       ARG   3  13.543  -4.498  -7.137
   22   2HG   ARG   3          2HG       ARG   3  13.606  -6.225  -6.826
   23   1HD   ARG   3          2HD       ARG   3  15.875  -5.410  -6.663
   24   2HD   ARG   3          1HD       ARG   3  15.786  -6.384  -8.112
   25    HE   ARG   3           HE       ARG   3  16.198  -4.447  -9.489
   26   1HH1  ARG   3          2HH1      ARG   3  15.600  -3.371  -6.151
   27   2HH1  ARG   3          1HH1      ARG   3  16.184  -1.685  -6.580
   28   1HH2  ARG   3          1HH2      ARG   3  16.840  -2.500  -9.860
   29   2HH2  ARG   3          2HH2      ARG   3  16.838  -1.228  -8.537
   30    H    LEU   4           H        LEU   4   9.562  -5.211  -7.407
   31    HA   LEU   4           HA       LEU   4   9.437  -2.257  -8.032
   32   1HB   LEU   4          1HB       LEU   4   7.313  -4.216  -7.021
   33   2HB   LEU   4          2HB       LEU   4   7.069  -2.531  -7.432
   34    HG   LEU   4           HG       LEU   4   7.891  -4.724  -9.417
   35   1HD1  LEU   4          2HD1      LEU   4   5.567  -4.953  -8.596
   36   2HD1  LEU   4          1HD1      LEU   4   5.213  -3.252  -8.993
   37   3HD1  LEU   4          3HD1      LEU   4   5.577  -4.422 -10.292
   38   1HD2  LEU   4          3HD2      LEU   4   7.233  -1.765 -10.009
   39   2HD2  LEU   4          2HD2      LEU   4   8.815  -2.550 -10.226
   40   3HD2  LEU   4          1HD2      LEU   4   7.441  -3.041 -11.229
   41    HA   PRO   5           HA       PRO   5   9.995  -1.169  -3.496
   42   1HB   PRO   5          1HB       PRO   5   8.461   1.270  -4.574
   43   2HB   PRO   5          2HB       PRO   5   9.855   1.232  -3.472
   44   1HG   PRO   5          1HG       PRO   5  10.239   1.866  -6.080
   45   2HG   PRO   5          2HG       PRO   5  11.386   0.751  -5.293
   46   1HD   PRO   5          1HD       PRO   5   9.038   0.039  -7.139
   47   2HD   PRO   5          2HD       PRO   5  10.707  -0.608  -7.136
   48    H    GLN   6           H        GLN   6   8.418  -0.338  -1.782
   49    HA   GLN   6           HA       GLN   6   5.682  -1.603  -2.074
   50   1HB   GLN   6          1HB       GLN   6   7.157  -2.127  -0.089
   51   2HB   GLN   6          2HB       GLN   6   7.025  -0.461   0.445
   52   1HG   GLN   6          1HG       GLN   6   5.492  -1.779   1.736
   53   2HG   GLN   6          2HG       GLN   6   4.514  -0.776   0.681
   54   1HE2  GLN   6          2HE2      GLN   6   2.739  -3.794  -0.129
   55   2HE2  GLN   6          1HE2      GLN   6   2.721  -2.032   0.380
   56    H    CYS   7           H        CYS   7   3.926  -0.484  -2.050
   57    HA   CYS   7           HA       CYS   7   3.888   2.297  -3.018
   58   1HB   CYS   7          1HB       CYS   7   1.556   0.498  -2.120
   59   2HB   CYS   7          2HB       CYS   7   1.340   2.101  -2.847
   60    H    GLN   8           H        GLN   8   3.054   4.133  -2.139
   61    HA   GLN   8           HA       GLN   8   2.849   4.330   0.923
   62   1HB   GLN   8          1HB       GLN   8   3.855   6.487  -1.033
   63   2HB   GLN   8          2HB       GLN   8   3.652   6.683   0.702
   64   1HG   GLN   8          1HG       GLN   8   5.654   4.783  -0.670
   65   2HG   GLN   8          2HG       GLN   8   6.018   6.335   0.043
   66   1HE2  GLN   8          2HE2      GLN   8   6.067   3.146   2.515
   67   2HE2  GLN   8          1HE2      GLN   8   5.878   3.020   0.693
   68    H    GLY   9           H        GLY   9   1.647   6.010  -2.046
   69   1HA   GLY   9          1HA       GLY   9  -1.120   5.777  -1.595
   70   2HA   GLY   9          2HA       GLY   9  -0.734   7.159  -0.587
   71    H    ASP  10           H        ASP  10  -1.264   6.072  -3.696
   72    HA   ASP  10           HA       ASP  10  -1.294   6.965  -5.870
   73   1HB   ASP  10          2HB       ASP  10  -2.783   8.680  -4.752
   74   2HB   ASP  10          1HB       ASP  10  -1.403   9.756  -4.574
   75    H    ASP  11           H        ASP  11   0.704   6.102  -6.293
   76    HA   ASP  11           HA       ASP  11   3.175   7.395  -5.336
   77   1HB   ASP  11          1HB       ASP  11   2.570   4.754  -6.839
   78   2HB   ASP  11          2HB       ASP  11   4.198   5.239  -6.433
   79    H    GLN  12           H        GLN  12   5.080   7.641  -6.485
   80    HA   GLN  12           HA       GLN  12   4.894   8.864  -9.252
   81   1HB   GLN  12          1HB       GLN  12   7.306   8.564  -7.350
   82   2HB   GLN  12          2HB       GLN  12   7.380   9.271  -8.962
   83   1HG   GLN  12          1HG       GLN  12   5.725  11.052  -8.301
   84   2HG   GLN  12          2HG       GLN  12   5.646  10.398  -6.674
   85   1HE2  GLN  12          2HE2      GLN  12   8.757  11.967  -5.710
   86   2HE2  GLN  12          1HE2      GLN  12   7.402  10.815  -5.252
   87    H    GLU  13           H        GLU  13   6.427   5.973  -7.738
   88    HA   GLU  13           HA       GLU  13   7.138   4.896 -10.522
   89   1HB   GLU  13          1HB       GLU  13   8.016   3.881  -7.735
   90   2HB   GLU  13          2HB       GLU  13   8.501   3.194  -9.273
   91   1HG   GLU  13          2HG       GLU  13   9.676   5.309  -9.932
   92   2HG   GLU  13          1HG       GLU  13   9.235   6.050  -8.395
   93    H    LYS  14           H        LYS  14   6.919   2.541 -10.709
   94    HA   LYS  14           HA       LYS  14   4.170   1.498 -10.063
   95   1HB   LYS  14          1HB       LYS  14   5.259   1.028 -12.295
   96   2HB   LYS  14          2HB       LYS  14   6.521   0.095 -11.486
   97   1HG   LYS  14          1HG       LYS  14   4.757  -1.517 -10.633
   98   2HG   LYS  14          2HG       LYS  14   3.508  -0.555 -11.407
   99   1HD   LYS  14          2HD       LYS  14   4.536  -1.012 -13.668
  100   2HD   LYS  14          1HD       LYS  14   5.794  -1.985 -12.892
  101   1HE   LYS  14          1HE       LYS  14   4.000  -3.547 -11.967
  102   2HE   LYS  14          2HE       LYS  14   2.751  -2.581 -12.763
  103   1HZ   LYS  14          2HZ       LYS  14   4.959  -4.020 -14.159
  104   2HZ   LYS  14          3HZ       LYS  14   3.378  -4.496 -14.094
  105   3HZ   LYS  14          1HZ       LYS  14   3.794  -3.119 -14.907
  106    H    CYS  15           H        CYS  15   3.752   0.134  -8.376
  107    HA   CYS  15           HA       CYS  15   5.977  -0.852  -6.568
  108   1HB   CYS  15          1HB       CYS  15   5.165   0.508  -4.637
  109   2HB   CYS  15          2HB       CYS  15   5.671   1.561  -5.971
  110    H    LEU  16           H        LEU  16   5.123  -1.879  -4.642
  111    HA   LEU  16           HA       LEU  16   3.017  -3.915  -5.296
  112   1HB   LEU  16          1HB       LEU  16   4.783  -3.461  -2.809
  113   2HB   LEU  16          2HB       LEU  16   3.641  -4.771  -2.906
  114    HG   LEU  16           HG       LEU  16   5.955  -4.442  -4.908
  115   1HD1  LEU  16          2HD2      LEU  16   6.852  -4.681  -2.593
  116   2HD1  LEU  16          1HD2      LEU  16   5.856  -6.130  -2.322
  117   3HD1  LEU  16          3HD2      LEU  16   7.165  -6.152  -3.534
  118   1HD2  LEU  16          2HD1      LEU  16   4.138  -6.869  -4.266
  119   2HD2  LEU  16          3HD1      LEU  16   4.092  -5.901  -5.759
  120   3HD2  LEU  16          1HD1      LEU  16   5.524  -6.879  -5.388
  121    H    CYS  17           H        CYS  17   0.957  -3.442  -4.961
  122    HA   CYS  17           HA       CYS  17   0.033  -1.491  -2.810
  123   1HB   CYS  17          1HB       CYS  17  -0.732  -1.455  -5.343
  124   2HB   CYS  17          2HB       CYS  17  -1.826  -2.778  -4.877
  125    H    ASN  18           H        ASN  18   0.332  -2.711  -1.014
  126    HA   ASN  18           HA       ASN  18   0.014  -4.248   0.690
  127   1HB   ASN  18          1HB       ASN  18  -2.458  -4.277   0.186
  128   2HB   ASN  18          2HB       ASN  18  -2.218  -5.624  -0.908
  129   1HD2  ASN  18          1HD2      ASN  18  -2.656  -7.871   1.821
  130   2HD2  ASN  18          2HD2      ASN  18  -3.046  -7.369   0.100
  131    H    LYS  19           H        LYS  19  -0.637  -6.502  -1.928
  132    HA   LYS  19           HA       LYS  19   2.272  -6.944  -2.433
  133   1HB   LYS  19          1HB       LYS  19   2.362  -9.367  -2.131
  134   2HB   LYS  19          2HB       LYS  19   2.042  -8.549  -0.621
  135   1HG   LYS  19          1HG       LYS  19  -0.433  -9.149  -0.846
  136   2HG   LYS  19          2HG       LYS  19  -0.077 -10.068  -2.294
  137   1HD   LYS  19          1HD       LYS  19   1.139 -10.639   0.488
  138   2HD   LYS  19          2HD       LYS  19  -0.296 -11.422  -0.162
  139   1HE   LYS  19          1HE       LYS  19   1.061 -12.380  -2.083
  140   2HE   LYS  19          2HE       LYS  19   2.521 -11.623  -1.430
  141   1HZ   LYS  19          2HZ       LYS  19   0.865 -13.647  -0.003
  142   2HZ   LYS  19          1HZ       LYS  19   2.326 -13.922  -0.724
  143   3HZ   LYS  19          3HZ       LYS  19   2.230 -12.940   0.601
  144    H    ASP  20           H        ASP  20   0.427  -5.735  -3.999
  145    HA   ASP  20           HA       ASP  20   0.092  -7.633  -6.394
  146   1HB   ASP  20          1HB       ASP  20  -1.788  -5.367  -5.438
  147   2HB   ASP  20          2HB       ASP  20  -1.964  -6.272  -6.927
  148    H    GLU  21           H        GLU  21   1.358  -7.002  -8.034
  149    HA   GLU  21           HA       GLU  21   2.765  -4.488  -8.200
  150   1HB   GLU  21          1HB       GLU  21   3.481  -5.215 -10.431
  151   2HB   GLU  21          2HB       GLU  21   3.666  -6.459  -9.208
  152   1HG   GLU  21          1HG       GLU  21   1.631  -7.662 -10.148
  153   2HG   GLU  21          2HG       GLU  21   1.465  -6.413 -11.378
  154    H    CYS  22           H        CYS  22   2.097  -2.580  -8.692
  155    HA   CYS  22           HA       CYS  22  -0.516  -2.136 -10.229
  156   1HB   CYS  22          1HB       CYS  22  -0.785  -2.298  -7.711
  157   2HB   CYS  22          2HB       CYS  22   0.177  -0.808  -7.553
  158    HA   PRO  23           HA       PRO  23   2.154   1.121 -12.176
  159   1HB   PRO  23          1HB       PRO  23  -0.585   2.117 -13.135
  160   2HB   PRO  23          2HB       PRO  23   0.917   1.933 -14.062
  161   1HG   PRO  23          2HG       PRO  23  -0.997   0.046 -14.316
  162   2HG   PRO  23          1HG       PRO  23   0.696  -0.475 -14.141
  163   1HD   PRO  23          1HD       PRO  23  -1.474  -0.389 -11.957
  164   2HD   PRO  23          2HD       PRO  23  -0.288  -1.682 -12.348
  165    HA   PRO  24           HA       PRO  24   2.002   4.617  -9.370
  166   1HB   PRO  24          2HB       PRO  24   2.851   6.808 -10.949
  167   2HB   PRO  24          1HB       PRO  24   3.858   5.530 -10.267
  168   1HG   PRO  24          2HG       PRO  24   2.752   5.726 -13.094
  169   2HG   PRO  24          1HG       PRO  24   4.402   5.287 -12.577
  170   1HD   PRO  24          2HD       PRO  24   2.553   3.374 -13.276
  171   2HD   PRO  24          1HD       PRO  24   3.725   3.062 -11.969
  172    H    GLY  25           H        GLY  25   0.422   5.717  -8.488
  173   1HA   GLY  25          1HA       GLY  25  -1.366   7.491  -8.506
  174   2HA   GLY  25          2HA       GLY  25  -1.774   7.105 -10.158
  175    H    GLN  26           H        GLN  26  -2.062   4.405 -10.165
  176    HA   GLN  26           HA       GLN  26  -4.775   4.104  -9.156
  177   1HB   GLN  26          1HB       GLN  26  -2.831   2.049 -10.397
  178   2HB   GLN  26          2HB       GLN  26  -4.508   1.689 -10.067
  179   1HG   GLN  26          2HG       GLN  26  -5.203   3.684 -11.528
  180   2HG   GLN  26          1HG       GLN  26  -3.523   3.888 -11.992
  181   1HE2  GLN  26          2HE2      GLN  26  -3.585   0.814 -14.040
  182   2HE2  GLN  26          1HE2      GLN  26  -2.496   1.715 -12.868
  183    H    CYS  27           H        CYS  27  -1.901   3.279  -7.315
  184    HA   CYS  27           HA       CYS  27  -3.190   1.139  -5.709
  185   1HB   CYS  27          1HB       CYS  27  -0.734   1.253  -5.908
  186   2HB   CYS  27          2HB       CYS  27  -0.698   2.810  -5.040
  187    NH1  ARG  28           NH1      ARG  28  -5.939   7.500  -6.585
  188    NH2  ARG  28           NH2      ARG  28  -7.029   6.839  -8.466
  189    H    ARG  28           H        ARG  28  -4.870   1.558  -4.512
  190    HA   ARG  28           HA       ARG  28  -5.277   4.209  -3.064
  191   1HB   ARG  28          1HB       ARG  28  -7.271   1.939  -3.691
  192   2HB   ARG  28          2HB       ARG  28  -7.672   3.476  -2.945
  193   1HG   ARG  28          2HG       ARG  28  -6.745   3.023  -5.816
  194   2HG   ARG  28          1HG       ARG  28  -8.359   3.445  -5.271
  195   1HD   ARG  28          1HD       ARG  28  -7.539   5.717  -4.507
  196   2HD   ARG  28          2HD       ARG  28  -5.884   5.279  -4.982
  197    HE   ARG  28           HE       ARG  28  -7.855   4.955  -7.196
  198   1HH1  ARG  28          2HH1      ARG  28  -5.721   7.312  -5.600
  199   2HH1  ARG  28          1HH1      ARG  28  -5.613   8.296  -7.145
  200   1HH2  ARG  28          1HH2      ARG  28  -6.627   7.680  -8.895
  201   2HH2  ARG  28          2HH2      ARG  28  -7.640   6.150  -8.918
  202    H    PHE  29           H        PHE  29  -5.859   4.300  -0.945
  203    HA   PHE  29           HA       PHE  29  -5.103   1.880   0.818
  204   1HB   PHE  29          1HB       PHE  29  -4.285   4.836   1.041
  205   2HB   PHE  29          2HB       PHE  29  -4.228   3.754   2.401
  206    HD1  PHE  29           HD1      PHE  29  -2.906   4.062  -1.149
  207    HD2  PHE  29           HD2      PHE  29  -2.334   2.335   2.755
  208    HE1  PHE  29           HE1      PHE  29  -0.758   3.128  -1.866
  209    HE2  PHE  29           HE2      PHE  29  -0.174   1.421   2.017
  210    HZ   PHE  29           HZ       PHE  29   0.596   1.784  -0.298
  211    HA   PRO  30           HA       PRO  30  -9.323   3.272   2.326
  212   1HB   PRO  30          1HB       PRO  30 -10.489   0.811   2.724
  213   2HB   PRO  30          2HB       PRO  30 -10.312   1.547   1.130
  214   1HG   PRO  30          1HG       PRO  30  -8.491  -0.546   2.420
  215   2HG   PRO  30          2HG       PRO  30  -9.204  -0.603   0.803
  216   1HD   PRO  30          1HD       PRO  30  -6.623   0.283   1.310
  217   2HD   PRO  30          2HD       PRO  30  -7.573   0.969  -0.041
  218    NH1  ARG  31           NH1      ARG  31  -7.971   8.496   8.116
  219    NH2  ARG  31           NH2      ARG  31  -8.786   9.342   6.171
  220    H    ARG  31           H        ARG  31 -10.132   3.434   4.350
  221    HA   ARG  31           HA       ARG  31  -8.162   3.278   6.489
  222   1HB   ARG  31          1HB       ARG  31  -9.967   5.123   5.810
  223   2HB   ARG  31          2HB       ARG  31 -11.082   4.203   6.806
  224   1HG   ARG  31          2HG       ARG  31  -9.593   4.599   8.802
  225   2HG   ARG  31          1HG       ARG  31  -8.392   5.384   7.792
  226   1HD   ARG  31          2HD       ARG  31 -11.289   6.387   8.191
  227   2HD   ARG  31          1HD       ARG  31  -9.935   6.927   9.156
  228    HE   ARG  31           HE       ARG  31 -10.541   7.716   6.310
  229   1HH1  ARG  31          1HH1      ARG  31  -8.073   7.809   8.871
  230   2HH1  ARG  31          2HH1      ARG  31  -7.235   9.205   8.026
  231   1HH2  ARG  31          1HH2      ARG  31  -9.506   9.301   5.441
  232   2HH2  ARG  31          2HH2      ARG  31  -7.993   9.991   6.216
  233    H    GLY  32           H        GLY  32  -9.003   2.850   8.803
  234   1HA   GLY  32          1HA       GLY  32  -9.828   1.436  10.513
  235   2HA   GLY  32          2HA       GLY  32 -10.993   0.810   9.368
  236    H    ASP  33           H        ASP  33 -10.744  -1.253   8.814
  237    HA   ASP  33           HA       ASP  33  -8.001  -2.596   8.819
  238   1HB   ASP  33          2HB       ASP  33  -9.262  -3.289  10.920
  239   2HB   ASP  33          1HB       ASP  33 -10.536  -3.971   9.923
  240    H    ALA  34           H        ALA  34  -8.464  -1.594   6.654
  241    HA   ALA  34           HA       ALA  34  -9.466  -3.824   4.818
  242   1HB   ALA  34          2HB       ALA  34  -9.953  -0.797   4.417
  243   2HB   ALA  34          1HB       ALA  34 -10.343  -2.082   3.243
  244   3HB   ALA  34          3HB       ALA  34 -11.183  -2.027   4.805
  245    H    ASP  35           H        ASP  35  -8.076  -4.357   3.378
  246    HA   ASP  35           HA       ASP  35  -5.293  -3.388   3.596
  247   1HB   ASP  35          1HB       ASP  35  -6.437  -5.648   1.845
  248   2HB   ASP  35          2HB       ASP  35  -4.738  -5.241   1.929
  249    HA   PRO  36           HA       PRO  36  -5.098  -0.625  -0.014
  250   1HB   PRO  36          2HB       PRO  36  -2.292  -1.732  -0.484
  251   2HB   PRO  36          1HB       PRO  36  -2.834  -0.046  -0.412
  252   1HG   PRO  36          2HG       PRO  36  -1.590  -1.173   1.735
  253   2HG   PRO  36          1HG       PRO  36  -2.992  -0.107   1.989
  254   1HD   PRO  36          1HD       PRO  36  -2.947  -3.161   2.103
  255   2HD   PRO  36          2HD       PRO  36  -3.783  -1.971   3.140
  256    OH   TYR  37           OH       TYR  37 -10.684   2.232  -3.496
  257    H    TYR  37           H        TYR  37  -5.973  -0.837  -1.939
  258    HA   TYR  37           HA       TYR  37  -5.634  -3.426  -3.553
  259   1HB   TYR  37          2HB       TYR  37  -7.870  -3.192  -4.375
  260   2HB   TYR  37          1HB       TYR  37  -7.881  -3.209  -2.643
  261    HD1  TYR  37           HD1      TYR  37  -8.520  -1.117  -5.651
  262    HD2  TYR  37           HD2      TYR  37  -8.575  -1.160  -1.356
  263    HE1  TYR  37           HE1      TYR  37  -9.823   0.967  -5.644
  264    HE2  TYR  37           HE2      TYR  37  -9.891   0.912  -1.351
  265    HH   TYR  37           HH       TYR  37 -10.856   2.491  -2.588
  266    H    CYS  38           H        CYS  38  -5.265  -3.350  -5.686
  267    HA   CYS  38           HA       CYS  38  -4.345  -0.766  -6.960
  268   1HB   CYS  38          1HB       CYS  38  -3.058  -2.924  -7.273
  269   2HB   CYS  38          2HB       CYS  38  -4.409  -3.561  -8.245
  270    H    GLU  39           H        GLU  39  -5.805   0.485  -7.872
  271    HA   GLU  39           HA       GLU  39  -8.602  -0.396  -8.433
  272   1HB   GLU  39          2HB       GLU  39  -8.001   1.770  -7.305
  273   2HB   GLU  39          1HB       GLU  39  -7.259   2.361  -8.789
  274   1HG   GLU  39          1HG       GLU  39  -9.533   2.179  -9.945
  275   2HG   GLU  39          2HG       GLU  39 -10.238   1.606  -8.433
   
  Start of MODEL          19
 Raw file had 275 H/Q atoms
  Start of MODEL   19
    1   1H    ALA   1          3H        ALA   1  10.005 -11.369 -14.076
    2   2H    ALA   1          2H        ALA   1  10.939 -11.980 -12.858
    3   3H    ALA   1          1H        ALA   1   9.585 -12.790 -13.347
    4    HA   ALA   1           HA       ALA   1   8.141 -11.054 -12.590
    5   1HB   ALA   1          1HB       ALA   1   8.664 -12.911 -11.020
    6   2HB   ALA   1          2HB       ALA   1  10.096 -12.041 -10.407
    7   3HB   ALA   1          3HB       ALA   1   8.461 -11.394 -10.123
    8    HA   PRO   2           HA       PRO   2  10.346  -7.061 -12.462
    9   1HB   PRO   2          2HB       PRO   2   8.291  -5.317 -11.876
   10   2HB   PRO   2          1HB       PRO   2   8.395  -6.222 -13.395
   11   1HG   PRO   2          2HG       PRO   2   6.738  -6.924 -10.916
   12   2HG   PRO   2          1HG       PRO   2   6.200  -6.876 -12.611
   13   1HD   PRO   2          1HD       PRO   2   6.972  -9.238 -11.355
   14   2HD   PRO   2          2HD       PRO   2   7.243  -8.981 -13.104
   15    NH1  ARG   3           NH1      ARG   3  16.677  -6.183 -10.098
   16    NH2  ARG   3           NH2      ARG   3  17.195  -8.109  -9.009
   17    H    ARG   3           H        ARG   3  11.554  -5.920 -11.070
   18    HA   ARG   3           HA       ARG   3  11.282  -6.321  -8.091
   19   1HB   ARG   3          2HB       ARG   3  13.480  -6.608  -9.286
   20   2HB   ARG   3          1HB       ARG   3  13.487  -4.899  -9.705
   21   1HG   ARG   3          1HG       ARG   3  13.429  -4.350  -7.202
   22   2HG   ARG   3          2HG       ARG   3  13.502  -6.065  -6.835
   23   1HD   ARG   3          1HD       ARG   3  15.663  -4.456  -8.376
   24   2HD   ARG   3          2HD       ARG   3  15.703  -4.820  -6.668
   25    HE   ARG   3           HE       ARG   3  16.072  -7.219  -7.091
   26   1HH1  ARG   3          1HH1      ARG   3  16.226  -5.262 -10.060
   27   2HH1  ARG   3          2HH1      ARG   3  17.167  -6.595 -10.899
   28   1HH2  ARG   3          2HH2      ARG   3  17.142  -8.659  -8.144
   29   2HH2  ARG   3          1HH2      ARG   3  17.649  -8.385  -9.886
   30    H    LEU   4           H        LEU   4   9.537  -5.088  -7.529
   31    HA   LEU   4           HA       LEU   4   9.375  -2.154  -8.245
   32   1HB   LEU   4          1HB       LEU   4   7.261  -4.111  -7.210
   33   2HB   LEU   4          2HB       LEU   4   6.999  -2.442  -7.670
   34    HG   LEU   4           HG       LEU   4   7.897  -4.658  -9.593
   35   1HD1  LEU   4          2HD1      LEU   4   5.569  -4.933  -8.739
   36   2HD1  LEU   4          1HD1      LEU   4   5.157  -3.279  -9.262
   37   3HD1  LEU   4          3HD1      LEU   4   5.589  -4.527 -10.467
   38   1HD2  LEU   4          2HD2      LEU   4   7.097  -1.748 -10.262
   39   2HD2  LEU   4          3HD2      LEU   4   8.723  -2.447 -10.439
   40   3HD2  LEU   4          1HD2      LEU   4   7.391  -3.038 -11.446
   41    HA   PRO   5           HA       PRO   5   9.920  -0.982  -3.725
   42   1HB   PRO   5          1HB       PRO   5   8.429   1.461  -4.847
   43   2HB   PRO   5          2HB       PRO   5   9.828   1.418  -3.750
   44   1HG   PRO   5          2HG       PRO   5  10.204   2.001  -6.373
   45   2HG   PRO   5          1HG       PRO   5  11.343   0.891  -5.568
   46   1HD   PRO   5          1HD       PRO   5   8.983   0.162  -7.394
   47   2HD   PRO   5          2HD       PRO   5  10.645  -0.501  -7.381
   48    H    GLN   6           H        GLN   6   8.384  -0.250  -1.996
   49    HA   GLN   6           HA       GLN   6   5.603  -1.413  -2.339
   50   1HB   GLN   6          1HB       GLN   6   7.027  -2.165  -0.449
   51   2HB   GLN   6          2HB       GLN   6   7.093  -0.536   0.202
   52   1HG   GLN   6          1HG       GLN   6   5.513  -1.787   1.495
   53   2HG   GLN   6          2HG       GLN   6   4.591  -0.609   0.587
   54   1HE2  GLN   6          2HE2      GLN   6   2.504  -3.274  -0.624
   55   2HE2  GLN   6          1HE2      GLN   6   2.735  -1.503  -0.208
   56    H    CYS   7           H        CYS   7   3.907  -0.232  -2.366
   57    HA   CYS   7           HA       CYS   7   4.003   2.740  -2.695
   58   1HB   CYS   7          1HB       CYS   7   1.809   0.726  -3.170
   59   2HB   CYS   7          2HB       CYS   7   1.299   2.332  -2.670
   60    H    GLN   8           H        GLN   8   3.241   4.262  -1.389
   61    HA   GLN   8           HA       GLN   8   2.370   3.578   1.479
   62   1HB   GLN   8          1HB       GLN   8   3.866   6.077   0.456
   63   2HB   GLN   8          2HB       GLN   8   3.196   5.899   2.076
   64   1HG   GLN   8          1HG       GLN   8   4.668   3.934   2.542
   65   2HG   GLN   8          2HG       GLN   8   5.341   4.005   0.922
   66   1HE2  GLN   8          2HE2      GLN   8   7.637   6.643   1.803
   67   2HE2  GLN   8          1HE2      GLN   8   6.961   5.545   0.496
   68    H    GLY   9           H        GLY   9   1.770   5.976  -1.183
   69   1HA   GLY   9          1HA       GLY   9  -1.124   5.929  -0.814
   70   2HA   GLY   9          2HA       GLY   9  -0.509   7.305   0.096
   71    H    ASP  10           H        ASP  10  -0.981   5.953  -3.081
   72    HA   ASP  10           HA       ASP  10  -0.898   6.753  -5.251
   73   1HB   ASP  10          1HB       ASP  10  -1.367   9.509  -3.973
   74   2HB   ASP  10          2HB       ASP  10  -1.494   9.121  -5.681
   75    H    ASP  11           H        ASP  11   1.157   6.091  -5.596
   76    HA   ASP  11           HA       ASP  11   3.504   7.819  -4.964
   77   1HB   ASP  11          1HB       ASP  11   3.103   4.895  -5.894
   78   2HB   ASP  11          2HB       ASP  11   4.692   5.597  -5.804
   79    H    GLN  12           H        GLN  12   5.352   7.917  -6.325
   80    HA   GLN  12           HA       GLN  12   4.785   8.943  -9.096
   81   1HB   GLN  12          1HB       GLN  12   7.424   8.749  -7.507
   82   2HB   GLN  12          2HB       GLN  12   7.296   9.391  -9.141
   83   1HG   GLN  12          1HG       GLN  12   5.711  11.178  -8.375
   84   2HG   GLN  12          2HG       GLN  12   5.803  10.589  -6.724
   85   1HE2  GLN  12          2HE2      GLN  12   8.976  12.220  -6.138
   86   2HE2  GLN  12          1HE2      GLN  12   7.694  11.065  -5.507
   87    H    GLU  13           H        GLU  13   6.474   6.058  -7.754
   88    HA   GLU  13           HA       GLU  13   7.008   5.070 -10.609
   89   1HB   GLU  13          1HB       GLU  13   8.146   4.009  -7.940
   90   2HB   GLU  13          2HB       GLU  13   8.540   3.408  -9.539
   91   1HG   GLU  13          2HG       GLU  13   9.553   5.607 -10.197
   92   2HG   GLU  13          1HG       GLU  13   9.206   6.260  -8.598
   93    H    LYS  14           H        LYS  14   6.858   2.760 -10.898
   94    HA   LYS  14           HA       LYS  14   4.155   1.641 -10.248
   95   1HB   LYS  14          1HB       LYS  14   5.296   1.381 -12.512
   96   2HB   LYS  14          2HB       LYS  14   6.510   0.337 -11.763
   97   1HG   LYS  14          1HG       LYS  14   4.696  -1.312 -11.143
   98   2HG   LYS  14          2HG       LYS  14   3.478  -0.230 -11.820
   99   1HD   LYS  14          1HD       LYS  14   4.563  -0.401 -14.087
  100   2HD   LYS  14          2HD       LYS  14   5.772  -1.506 -13.452
  101   1HE   LYS  14          2HE       LYS  14   2.718  -2.063 -13.413
  102   2HE   LYS  14          1HE       LYS  14   3.796  -2.570 -14.711
  103   1HZ   LYS  14          2HZ       LYS  14   5.050  -3.904 -13.108
  104   2HZ   LYS  14          1HZ       LYS  14   4.045  -3.446 -11.879
  105   3HZ   LYS  14          3HZ       LYS  14   3.460  -4.350 -13.132
  106    H    CYS  15           H        CYS  15   3.735   0.099  -8.725
  107    HA   CYS  15           HA       CYS  15   5.964  -0.733  -6.815
  108   1HB   CYS  15          1HB       CYS  15   4.879   0.519  -4.974
  109   2HB   CYS  15          2HB       CYS  15   5.131   1.655  -6.305
  110    H    LEU  16           H        LEU  16   5.121  -1.843  -4.937
  111    HA   LEU  16           HA       LEU  16   3.079  -3.997  -5.508
  112   1HB   LEU  16          1HB       LEU  16   4.769  -3.359  -3.009
  113   2HB   LEU  16          2HB       LEU  16   3.652  -4.695  -3.081
  114    HG   LEU  16           HG       LEU  16   6.055  -4.416  -4.989
  115   1HD1  LEU  16          3HD2      LEU  16   6.839  -4.552  -2.628
  116   2HD1  LEU  16          1HD2      LEU  16   5.862  -6.014  -2.354
  117   3HD1  LEU  16          2HD2      LEU  16   7.226  -6.046  -3.504
  118   1HD2  LEU  16          2HD1      LEU  16   4.256  -5.943  -5.872
  119   2HD2  LEU  16          3HD1      LEU  16   5.697  -6.867  -5.409
  120   3HD2  LEU  16          1HD1      LEU  16   4.264  -6.862  -4.348
  121    H    CYS  17           H        CYS  17   1.024  -3.749  -5.019
  122    HA   CYS  17           HA       CYS  17   0.056  -1.590  -3.056
  123   1HB   CYS  17          1HB       CYS  17  -0.704  -1.533  -5.545
  124   2HB   CYS  17          2HB       CYS  17  -1.709  -2.955  -5.172
  125    H    ASN  18           H        ASN  18   0.172  -2.684  -1.202
  126    HA   ASN  18           HA       ASN  18  -0.269  -4.169   0.556
  127   1HB   ASN  18          1HB       ASN  18  -2.617  -4.536  -0.251
  128   2HB   ASN  18          2HB       ASN  18  -2.075  -5.859  -1.251
  129   1HD2  ASN  18          1HD2      ASN  18  -3.177  -7.756   1.554
  130   2HD2  ASN  18          2HD2      ASN  18  -3.841  -6.688   0.208
  131    H    LYS  19           H        LYS  19  -0.447  -6.639  -1.897
  132    HA   LYS  19           HA       LYS  19   2.540  -6.821  -2.291
  133   1HB   LYS  19          1HB       LYS  19   2.707  -9.241  -1.780
  134   2HB   LYS  19          2HB       LYS  19   2.304  -8.284  -0.375
  135   1HG   LYS  19          1HG       LYS  19  -0.151  -8.989  -0.627
  136   2HG   LYS  19          2HG       LYS  19   0.311 -10.031  -1.970
  137   1HD   LYS  19          1HD       LYS  19   1.831 -11.346  -0.483
  138   2HD   LYS  19          2HD       LYS  19   1.501 -10.284   0.878
  139   1HE   LYS  19          2HE       LYS  19  -0.652 -12.003  -0.545
  140   2HE   LYS  19          1HE       LYS  19   0.238 -12.508   0.888
  141   1HZ   LYS  19          2HZ       LYS  19  -0.699 -10.623   2.105
  142   2HZ   LYS  19          3HZ       LYS  19  -1.536 -10.120   0.773
  143   3HZ   LYS  19          1HZ       LYS  19  -1.901 -11.568   1.480
  144    H    ASP  20           H        ASP  20   0.639  -5.891  -4.070
  145    HA   ASP  20           HA       ASP  20   0.703  -7.960  -6.335
  146   1HB   ASP  20          1HB       ASP  20  -1.672  -6.173  -5.446
  147   2HB   ASP  20          2HB       ASP  20  -1.616  -7.087  -6.939
  148    H    GLU  21           H        GLU  21   1.692  -7.135  -8.071
  149    HA   GLU  21           HA       GLU  21   2.711  -4.494  -8.304
  150   1HB   GLU  21          1HB       GLU  21   3.362  -5.061 -10.577
  151   2HB   GLU  21          2HB       GLU  21   3.717  -6.346  -9.437
  152   1HG   GLU  21          1HG       GLU  21   1.754  -7.671 -10.313
  153   2HG   GLU  21          2HG       GLU  21   1.385  -6.384 -11.461
  154    H    CYS  22           H        CYS  22   2.102  -2.645  -9.067
  155    HA   CYS  22           HA       CYS  22  -0.613  -2.221 -10.384
  156   1HB   CYS  22          1HB       CYS  22  -0.803  -2.439  -7.827
  157   2HB   CYS  22          2HB       CYS  22   0.128  -0.927  -7.691
  158    HA   PRO  23           HA       PRO  23   1.733   1.282 -12.219
  159   1HB   PRO  23          1HB       PRO  23  -0.960   2.649 -12.606
  160   2HB   PRO  23          2HB       PRO  23   0.289   2.280 -13.803
  161   1HG   PRO  23          2HG       PRO  23  -1.994   0.791 -13.701
  162   2HG   PRO  23          1HG       PRO  23  -0.428   0.008 -14.019
  163   1HD   PRO  23          1HD       PRO  23  -1.939   0.127 -11.342
  164   2HD   PRO  23          2HD       PRO  23  -1.181  -1.245 -12.142
  165    HA   PRO  24           HA       PRO  24   2.020   4.597  -9.059
  166   1HB   PRO  24          1HB       PRO  24   2.798   6.840 -10.568
  167   2HB   PRO  24          2HB       PRO  24   3.824   5.486 -10.107
  168   1HG   PRO  24          2HG       PRO  24   2.430   5.938 -12.770
  169   2HG   PRO  24          1HG       PRO  24   4.111   5.416 -12.470
  170   1HD   PRO  24          2HD       PRO  24   2.094   3.628 -13.100
  171   2HD   PRO  24          1HD       PRO  24   3.432   3.164 -12.014
  172    H    GLY  25           H        GLY  25   0.502   5.705  -8.011
  173   1HA   GLY  25          1HA       GLY  25  -1.397   7.250  -7.706
  174   2HA   GLY  25          2HA       GLY  25  -1.699   7.297  -9.424
  175    H    GLN  26           H        GLN  26  -1.921   4.562 -10.011
  176    HA   GLN  26           HA       GLN  26  -4.664   3.913  -9.331
  177   1HB   GLN  26          1HB       GLN  26  -2.355   2.248 -10.497
  178   2HB   GLN  26          2HB       GLN  26  -3.929   1.542 -10.356
  179   1HG   GLN  26          2HG       GLN  26  -3.412   4.122 -11.978
  180   2HG   GLN  26          1HG       GLN  26  -3.293   2.507 -12.624
  181   1HE2  GLN  26          2HE2      GLN  26  -7.106   3.852 -11.828
  182   2HE2  GLN  26          1HE2      GLN  26  -5.674   4.581 -10.942
  183    H    CYS  27           H        CYS  27  -1.880   3.123  -7.335
  184    HA   CYS  27           HA       CYS  27  -3.224   0.902  -5.871
  185   1HB   CYS  27          1HB       CYS  27  -0.760   1.070  -5.917
  186   2HB   CYS  27          2HB       CYS  27  -0.810   2.611  -5.017
  187    NH1  ARG  28           NH1      ARG  28  -6.393   7.169  -7.059
  188    NH2  ARG  28           NH2      ARG  28  -7.081   6.274  -9.029
  189    H    ARG  28           H        ARG  28  -4.964   1.267  -4.736
  190    HA   ARG  28           HA       ARG  28  -5.544   3.934  -3.396
  191   1HB   ARG  28          1HB       ARG  28  -7.425   1.574  -4.022
  192   2HB   ARG  28          2HB       ARG  28  -7.903   3.145  -3.405
  193   1HG   ARG  28          2HG       ARG  28  -6.801   2.523  -6.179
  194   2HG   ARG  28          1HG       ARG  28  -8.448   2.961  -5.763
  195   1HD   ARG  28          1HD       ARG  28  -7.708   5.285  -5.104
  196   2HD   ARG  28          2HD       ARG  28  -6.016   4.853  -5.439
  197    HE   ARG  28           HE       ARG  28  -7.657   4.273  -7.794
  198   1HH1  ARG  28          2HH1      ARG  28  -6.262   7.040  -6.049
  199   2HH1  ARG  28          1HH1      ARG  28  -6.171   8.008  -7.606
  200   1HH2  ARG  28          2HH2      ARG  28  -7.475   5.467  -9.527
  201   2HH2  ARG  28          1HH2      ARG  28  -6.810   7.176  -9.437
  202    H    PHE  29           H        PHE  29  -5.980   4.120  -1.295
  203    HA   PHE  29           HA       PHE  29  -5.391   1.717   0.551
  204   1HB   PHE  29          2HB       PHE  29  -4.499   4.649   0.787
  205   2HB   PHE  29          1HB       PHE  29  -4.439   3.522   2.113
  206    HD1  PHE  29           HD1      PHE  29  -3.042   4.162  -1.320
  207    HD2  PHE  29           HD2      PHE  29  -2.725   1.784   2.257
  208    HE1  PHE  29           HE1      PHE  29  -0.916   3.230  -2.116
  209    HE2  PHE  29           HE2      PHE  29  -0.588   0.873   1.445
  210    HZ   PHE  29           HZ       PHE  29   0.301   1.568  -0.742
  211    HA   PRO  30           HA       PRO  30  -9.572   3.291   1.976
  212   1HB   PRO  30          2HB       PRO  30 -10.753   0.860   2.567
  213   2HB   PRO  30          1HB       PRO  30 -10.627   1.525   0.929
  214   1HG   PRO  30          1HG       PRO  30  -8.848  -0.580   2.223
  215   2HG   PRO  30          2HG       PRO  30  -9.551  -0.612   0.619
  216   1HD   PRO  30          1HD       PRO  30  -6.928   0.195   1.180
  217   2HD   PRO  30          2HD       PRO  30  -7.821   0.816  -0.239
  218    NH1  ARG  31           NH1      ARG  31 -14.522   8.027   6.917
  219    NH2  ARG  31           NH2      ARG  31 -16.149   6.450   6.734
  220    H    ARG  31           H        ARG  31 -10.370   3.599   3.993
  221    HA   ARG  31           HA       ARG  31  -8.357   3.731   6.049
  222   1HB   ARG  31          2HB       ARG  31  -9.928   5.091   7.295
  223   2HB   ARG  31          1HB       ARG  31  -9.965   5.523   5.606
  224   1HG   ARG  31          1HG       ARG  31 -12.139   4.177   5.347
  225   2HG   ARG  31          2HG       ARG  31 -12.094   3.836   7.079
  226   1HD   ARG  31          2HD       ARG  31 -12.176   6.331   7.569
  227   2HD   ARG  31          1HD       ARG  31 -12.217   6.663   5.826
  228    HE   ARG  31           HE       ARG  31 -14.405   4.820   6.483
  229   1HH1  ARG  31          1HH1      ARG  31 -13.518   8.237   6.926
  230   2HH1  ARG  31          2HH1      ARG  31 -15.291   8.699   7.020
  231   1HH2  ARG  31          2HH2      ARG  31 -16.389   5.461   6.605
  232   2HH2  ARG  31          1HH2      ARG  31 -16.804   7.231   6.851
  233    H    GLY  32           H        GLY  32  -8.648   3.348   8.344
  234   1HA   GLY  32          1HA       GLY  32  -9.135   2.063  10.282
  235   2HA   GLY  32          2HA       GLY  32 -10.494   1.359   9.438
  236    H    ASP  33           H        ASP  33 -10.319  -0.743   9.347
  237    HA   ASP  33           HA       ASP  33  -7.609  -2.155   8.960
  238   1HB   ASP  33          2HB       ASP  33  -8.756  -2.659  11.187
  239   2HB   ASP  33          1HB       ASP  33 -10.109  -3.353  10.310
  240    H    ALA  34           H        ALA  34  -8.448  -1.090   6.795
  241    HA   ALA  34           HA       ALA  34  -9.541  -3.440   5.149
  242   1HB   ALA  34          3HB       ALA  34 -11.144  -1.537   5.161
  243   2HB   ALA  34          1HB       ALA  34  -9.884  -0.439   4.536
  244   3HB   ALA  34          2HB       ALA  34 -10.461  -1.805   3.546
  245    H    ASP  35           H        ASP  35  -8.207  -4.206   3.838
  246    HA   ASP  35           HA       ASP  35  -5.397  -3.384   3.668
  247   1HB   ASP  35          1HB       ASP  35  -6.866  -5.592   2.118
  248   2HB   ASP  35          2HB       ASP  35  -5.139  -5.350   2.058
  249    HA   PRO  36           HA       PRO  36  -5.289  -0.873  -0.103
  250   1HB   PRO  36          2HB       PRO  36  -2.647  -2.083  -0.908
  251   2HB   PRO  36          1HB       PRO  36  -3.036  -0.412  -0.502
  252   1HG   PRO  36          2HG       PRO  36  -1.599  -2.039   1.214
  253   2HG   PRO  36          1HG       PRO  36  -2.710  -0.793   1.822
  254   1HD   PRO  36          1HD       PRO  36  -3.270  -3.804   1.630
  255   2HD   PRO  36          2HD       PRO  36  -3.597  -2.699   2.912
  256    OH   TYR  37           OH       TYR  37 -10.908   1.883  -3.361
  257    H    TYR  37           H        TYR  37  -5.943  -1.011  -2.188
  258    HA   TYR  37           HA       TYR  37  -5.791  -3.684  -3.685
  259   1HB   TYR  37          2HB       TYR  37  -8.049  -3.477  -4.501
  260   2HB   TYR  37          1HB       TYR  37  -8.032  -3.557  -2.770
  261    HD1  TYR  37           HD1      TYR  37  -8.703  -1.325  -5.684
  262    HD2  TYR  37           HD2      TYR  37  -8.813  -1.621  -1.399
  263    HE1  TYR  37           HE1      TYR  37 -10.009   0.746  -5.573
  264    HE2  TYR  37           HE2      TYR  37 -10.146   0.428  -1.286
  265    HH   TYR  37           HH       TYR  37 -11.033   2.222  -4.251
  266    H    CYS  38           H        CYS  38  -5.302  -3.585  -5.762
  267    HA   CYS  38           HA       CYS  38  -4.424  -0.982  -6.995
  268   1HB   CYS  38          1HB       CYS  38  -3.082  -3.088  -7.303
  269   2HB   CYS  38          2HB       CYS  38  -4.405  -3.788  -8.273
  270    H    GLU  39           H        GLU  39  -5.725   0.221  -8.186
  271    HA   GLU  39           HA       GLU  39  -8.474  -0.638  -9.029
  272   1HB   GLU  39          2HB       GLU  39  -7.942   1.644  -8.069
  273   2HB   GLU  39          1HB       GLU  39  -7.017   2.039  -9.513
  274   1HG   GLU  39          1HG       GLU  39  -9.128   1.758 -10.910
  275   2HG   GLU  39          2HG       GLU  39 -10.028   1.308  -9.464
   
  Start of MODEL          20
 Raw file had 275 H/Q atoms
  Start of MODEL   20
    1   1H    ALA   1          3H        ALA   1  17.977  -9.028  -7.558
    2   2H    ALA   1          1H        ALA   1  18.567 -10.391  -8.281
    3   3H    ALA   1          2H        ALA   1  18.219  -9.058  -9.192
    4    HA   ALA   1           HA       ALA   1  16.527 -10.760  -9.481
    5   1HB   ALA   1          2HB       ALA   1  16.790 -11.875  -7.299
    6   2HB   ALA   1          1HB       ALA   1  16.119 -10.460  -6.442
    7   3HB   ALA   1          3HB       ALA   1  15.096 -11.411  -7.547
    8    HA   PRO   2           HA       PRO   2  14.383  -6.674 -10.034
    9   1HB   PRO   2          1HB       PRO   2  12.320  -8.418 -11.481
   10   2HB   PRO   2          2HB       PRO   2  13.038  -6.873 -11.982
   11   1HG   PRO   2          2HG       PRO   2  13.954  -9.192 -13.062
   12   2HG   PRO   2          1HG       PRO   2  15.124  -7.937 -12.589
   13   1HD   PRO   2          1HD       PRO   2  14.370 -10.480 -11.041
   14   2HD   PRO   2          2HD       PRO   2  15.986  -9.770 -11.336
   15    NH1  ARG   3           NH1      ARG   3   9.569  -8.750  -2.479
   16    NH2  ARG   3           NH2      ARG   3   9.209  -7.318  -0.751
   17    H    ARG   3           H        ARG   3  13.172  -5.679  -8.553
   18    HA   ARG   3           HA       ARG   3  10.685  -6.932  -7.380
   19   1HB   ARG   3          1HB       ARG   3  12.586  -7.640  -5.915
   20   2HB   ARG   3          2HB       ARG   3  13.078  -5.966  -5.672
   21   1HG   ARG   3          1HG       ARG   3  10.935  -5.456  -4.521
   22   2HG   ARG   3          2HG       ARG   3  10.303  -7.062  -4.896
   23   1HD   ARG   3          1HD       ARG   3  12.086  -8.128  -3.442
   24   2HD   ARG   3          2HD       ARG   3  12.787  -6.547  -3.132
   25    HE   ARG   3           HE       ARG   3  11.055  -6.023  -1.565
   26   1HH1  ARG   3          1HH1      ARG   3  10.126  -8.982  -3.308
   27   2HH1  ARG   3          2HH1      ARG   3   8.774  -9.281  -2.104
   28   1HH2  ARG   3          1HH2      ARG   3   9.492  -6.464  -0.259
   29   2HH2  ARG   3          2HH2      ARG   3   8.442  -7.950  -0.495
   30    H    LEU   4           H        LEU   4   9.157  -5.499  -7.346
   31    HA   LEU   4           HA       LEU   4   9.459  -2.584  -7.827
   32   1HB   LEU   4          1HB       LEU   4   7.035  -4.262  -6.983
   33   2HB   LEU   4          2HB       LEU   4   6.995  -2.559  -7.386
   34    HG   LEU   4           HG       LEU   4   7.789  -4.775  -9.359
   35   1HD1  LEU   4          1HD1      LEU   4   5.389  -4.877  -8.704
   36   2HD1  LEU   4          3HD1      LEU   4   5.173  -3.152  -9.078
   37   3HD1  LEU   4          2HD1      LEU   4   5.547  -4.312 -10.381
   38   1HD2  LEU   4          1HD2      LEU   4   7.333  -1.760  -9.882
   39   2HD2  LEU   4          3HD2      LEU   4   8.883  -2.622 -10.025
   40   3HD2  LEU   4          2HD2      LEU   4   7.560  -3.002 -11.136
   41    HA   PRO   5           HA       PRO   5   9.917  -1.362  -3.323
   42   1HB   PRO   5          1HB       PRO   5   8.634   1.173  -4.502
   43   2HB   PRO   5          2HB       PRO   5   9.994   1.045  -3.363
   44   1HG   PRO   5          2HG       PRO   5  10.498   1.548  -5.978
   45   2HG   PRO   5          1HG       PRO   5  11.514   0.359  -5.125
   46   1HD   PRO   5          1HD       PRO   5   9.172  -0.193  -7.030
   47   2HD   PRO   5          2HD       PRO   5  10.768  -1.000  -6.927
   48    H    GLN   6           H        GLN   6   8.422  -0.480  -1.607
   49    HA   GLN   6           HA       GLN   6   5.636  -1.584  -1.925
   50   1HB   GLN   6          1HB       GLN   6   7.184  -2.073   0.109
   51   2HB   GLN   6          2HB       GLN   6   6.908  -0.418   0.614
   52   1HG   GLN   6          1HG       GLN   6   5.421  -1.856   1.848
   53   2HG   GLN   6          2HG       GLN   6   4.434  -0.878   0.772
   54   1HE2  GLN   6          2HE2      GLN   6   2.820  -3.964  -0.106
   55   2HE2  GLN   6          1HE2      GLN   6   2.705  -2.229   0.481
   56    H    CYS   7           H        CYS   7   3.899  -0.395  -1.994
   57    HA   CYS   7           HA       CYS   7   3.994   2.295  -3.044
   58   1HB   CYS   7          1HB       CYS   7   1.580   0.674  -2.025
   59   2HB   CYS   7          2HB       CYS   7   1.429   2.215  -2.888
   60    H    GLN   8           H        GLN   8   2.977   4.196  -2.392
   61    HA   GLN   8           HA       GLN   8   2.807   4.750   0.613
   62   1HB   GLN   8          1HB       GLN   8   3.328   7.061   0.221
   63   2HB   GLN   8          2HB       GLN   8   4.550   6.051  -0.531
   64   1HG   GLN   8          1HG       GLN   8   3.330   6.458  -2.805
   65   2HG   GLN   8          2HG       GLN   8   2.320   7.619  -1.976
   66   1HE2  GLN   8          2HE2      GLN   8   5.950   8.881  -3.194
   67   2HE2  GLN   8          1HE2      GLN   8   5.239   7.247  -3.635
   68    H    GLY   9           H        GLY   9   1.014   5.254  -2.432
   69   1HA   GLY   9          1HA       GLY   9  -1.609   5.235  -2.112
   70   2HA   GLY   9          2HA       GLY   9  -1.360   6.441  -0.853
   71    H    ASP  10           H        ASP  10  -1.387   5.844  -4.244
   72    HA   ASP  10           HA       ASP  10  -1.264   7.129  -6.180
   73   1HB   ASP  10          1HB       ASP  10  -2.796   8.777  -4.978
   74   2HB   ASP  10          2HB       ASP  10  -1.377   9.719  -4.529
   75    H    ASP  11           H        ASP  11   0.692   6.296  -6.624
   76    HA   ASP  11           HA       ASP  11   3.189   7.316  -5.314
   77   1HB   ASP  11          1HB       ASP  11   2.492   4.871  -7.082
   78   2HB   ASP  11          2HB       ASP  11   4.143   5.259  -6.679
   79    H    GLN  12           H        GLN  12   5.130   7.560  -6.426
   80    HA   GLN  12           HA       GLN  12   5.060   9.188  -8.962
   81   1HB   GLN  12          1HB       GLN  12   7.438   8.293  -7.213
   82   2HB   GLN  12          2HB       GLN  12   7.576   9.278  -8.667
   83   1HG   GLN  12          1HG       GLN  12   6.163  11.080  -7.648
   84   2HG   GLN  12          2HG       GLN  12   5.962  10.139  -6.181
   85   1HE2  GLN  12          2HE2      GLN  12   9.242  11.018  -4.931
   86   2HE2  GLN  12          1HE2      GLN  12   7.767   9.941  -4.742
   87    H    GLU  13           H        GLU  13   6.409   5.968  -7.999
   88    HA   GLU  13           HA       GLU  13   6.376   5.164 -10.963
   89   1HB   GLU  13          1HB       GLU  13   8.580   4.441  -8.900
   90   2HB   GLU  13          2HB       GLU  13   8.440   3.746 -10.507
   91   1HG   GLU  13          1HG       GLU  13   8.751   6.009 -11.573
   92   2HG   GLU  13          2HG       GLU  13   8.959   6.734  -9.981
   93    H    LYS  14           H        LYS  14   6.688   2.675 -11.066
   94    HA   LYS  14           HA       LYS  14   4.196   1.538 -10.031
   95   1HB   LYS  14          1HB       LYS  14   5.337   1.009 -12.281
   96   2HB   LYS  14          2HB       LYS  14   6.507   0.021 -11.404
   97   1HG   LYS  14          1HG       LYS  14   4.551  -1.408 -10.545
   98   2HG   LYS  14          2HG       LYS  14   3.453  -0.393 -11.475
   99   1HD   LYS  14          2HD       LYS  14   4.639  -1.068 -13.610
  100   2HD   LYS  14          1HD       LYS  14   5.706  -2.118 -12.667
  101   1HE   LYS  14          2HE       LYS  14   3.662  -3.420 -11.845
  102   2HE   LYS  14          1HE       LYS  14   2.617  -2.382 -12.822
  103   1HZ   LYS  14          1HZ       LYS  14   4.785  -4.122 -13.901
  104   2HZ   LYS  14          3HZ       LYS  14   3.166  -4.443 -13.967
  105   3HZ   LYS  14          2HZ       LYS  14   3.790  -3.167 -14.810
  106    H    CYS  15           H        CYS  15   3.821   0.080  -8.410
  107    HA   CYS  15           HA       CYS  15   6.032  -0.808  -6.540
  108   1HB   CYS  15          1HB       CYS  15   5.134   0.541  -4.626
  109   2HB   CYS  15          2HB       CYS  15   5.611   1.612  -5.960
  110    H    LEU  16           H        LEU  16   5.125  -1.830  -4.594
  111    HA   LEU  16           HA       LEU  16   3.018  -3.882  -5.272
  112   1HB   LEU  16          1HB       LEU  16   4.773  -3.473  -2.768
  113   2HB   LEU  16          2HB       LEU  16   3.631  -4.783  -2.920
  114    HG   LEU  16           HG       LEU  16   6.010  -4.389  -4.825
  115   1HD1  LEU  16          1HD2      LEU  16   6.806  -4.757  -2.496
  116   2HD1  LEU  16          2HD2      LEU  16   5.784  -6.204  -2.335
  117   3HD1  LEU  16          3HD2      LEU  16   7.143  -6.186  -3.492
  118   1HD2  LEU  16          3HD1      LEU  16   4.131  -6.817  -4.396
  119   2HD2  LEU  16          1HD1      LEU  16   4.184  -5.780  -5.841
  120   3HD2  LEU  16          2HD1      LEU  16   5.577  -6.802  -5.441
  121    H    CYS  17           H        CYS  17   0.973  -3.345  -4.942
  122    HA   CYS  17           HA       CYS  17   0.087  -1.446  -2.733
  123   1HB   CYS  17          1HB       CYS  17  -0.753  -1.415  -5.274
  124   2HB   CYS  17          2HB       CYS  17  -1.863  -2.692  -4.738
  125    H    ASN  18           H        ASN  18   0.280  -2.637  -0.909
  126    HA   ASN  18           HA       ASN  18  -0.039  -4.220   0.764
  127   1HB   ASN  18          1HB       ASN  18  -2.484  -4.192   0.276
  128   2HB   ASN  18          2HB       ASN  18  -2.292  -5.442  -0.924
  129   1HD2  ASN  18          1HD2      ASN  18  -2.747  -7.980   1.497
  130   2HD2  ASN  18          2HD2      ASN  18  -3.168  -7.221  -0.120
  131    H    LYS  19           H        LYS  19  -0.674  -6.345  -1.951
  132    HA   LYS  19           HA       LYS  19   2.157  -7.059  -2.359
  133   1HB   LYS  19          1HB       LYS  19   1.936  -9.558  -2.009
  134   2HB   LYS  19          2HB       LYS  19   2.037  -8.583  -0.564
  135   1HG   LYS  19          2HG       LYS  19  -0.367  -8.852  -0.070
  136   2HG   LYS  19          1HG       LYS  19  -0.674  -9.610  -1.608
  137   1HD   LYS  19          2HD       LYS  19  -0.638 -11.376   0.017
  138   2HD   LYS  19          1HD       LYS  19   0.814 -11.560  -0.940
  139   1HE   LYS  19          1HE       LYS  19   1.408 -11.980   1.370
  140   2HE   LYS  19          2HE       LYS  19   2.178 -10.461   0.929
  141   1HZ   LYS  19          1HZ       LYS  19  -0.359 -10.730   2.480
  142   2HZ   LYS  19          3HZ       LYS  19   1.118 -10.319   3.094
  143   3HZ   LYS  19          2HZ       LYS  19   0.336  -9.290   2.065
  144    H    ASP  20           H        ASP  20   0.544  -5.787  -3.998
  145    HA   ASP  20           HA       ASP  20   0.063  -7.719  -6.323
  146   1HB   ASP  20          1HB       ASP  20  -1.811  -5.439  -5.353
  147   2HB   ASP  20          2HB       ASP  20  -1.985  -6.316  -6.859
  148    H    GLU  21           H        GLU  21   1.269  -7.045  -8.012
  149    HA   GLU  21           HA       GLU  21   2.689  -4.525  -8.142
  150   1HB   GLU  21          1HB       GLU  21   3.378  -5.208 -10.383
  151   2HB   GLU  21          2HB       GLU  21   3.545  -6.503  -9.212
  152   1HG   GLU  21          1HG       GLU  21   1.481  -7.630 -10.171
  153   2HG   GLU  21          2HG       GLU  21   1.304  -6.323 -11.338
  154    H    CYS  22           H        CYS  22   2.043  -2.603  -8.629
  155    HA   CYS  22           HA       CYS  22  -0.606  -2.127 -10.085
  156   1HB   CYS  22          1HB       CYS  22  -0.807  -2.250  -7.570
  157   2HB   CYS  22          2HB       CYS  22   0.199  -0.783  -7.449
  158    HA   PRO  23           HA       PRO  23   1.881   1.164 -12.118
  159   1HB   PRO  23          1HB       PRO  23  -0.834   2.347 -12.865
  160   2HB   PRO  23          2HB       PRO  23   0.552   1.973 -13.909
  161   1HG   PRO  23          2HG       PRO  23  -1.588   0.308 -13.921
  162   2HG   PRO  23          1HG       PRO  23   0.043  -0.398 -13.894
  163   1HD   PRO  23          1HD       PRO  23  -1.819   0.056 -11.467
  164   2HD   PRO  23          2HD       PRO  23  -1.006  -1.420 -11.977
  165    HA   PRO  24           HA       PRO  24   1.866   4.601  -9.198
  166   1HB   PRO  24          1HB       PRO  24   2.864   6.764 -10.788
  167   2HB   PRO  24          2HB       PRO  24   3.763   5.530  -9.915
  168   1HG   PRO  24          2HG       PRO  24   3.211   5.702 -12.851
  169   2HG   PRO  24          1HG       PRO  24   4.558   4.938 -12.048
  170   1HD   PRO  24          2HD       PRO  24   2.381   3.515 -13.128
  171   2HD   PRO  24          1HD       PRO  24   3.485   2.877 -11.888
  172    H    GLY  25           H        GLY  25   0.269   5.669  -8.358
  173   1HA   GLY  25          1HA       GLY  25  -1.555   7.459  -8.430
  174   2HA   GLY  25          2HA       GLY  25  -1.899   7.043 -10.079
  175    H    GLN  26           H        GLN  26  -2.185   4.410 -10.215
  176    HA   GLN  26           HA       GLN  26  -4.756   3.834  -9.122
  177   1HB   GLN  26          2HB       GLN  26  -2.604   2.030 -10.416
  178   2HB   GLN  26          1HB       GLN  26  -4.122   1.356  -9.934
  179   1HG   GLN  26          2HG       GLN  26  -5.360   3.017 -11.367
  180   2HG   GLN  26          1HG       GLN  26  -3.848   3.762 -11.838
  181   1HE2  GLN  26          2HE2      GLN  26  -3.481   1.457 -14.518
  182   2HE2  GLN  26          1HE2      GLN  26  -3.246   3.126 -13.793
  183    H    CYS  27           H        CYS  27  -1.778   3.199  -7.332
  184    HA   CYS  27           HA       CYS  27  -3.017   1.128  -5.590
  185   1HB   CYS  27          1HB       CYS  27  -0.577   1.212  -5.847
  186   2HB   CYS  27          2HB       CYS  27  -0.504   2.807  -5.045
  187    NH1  ARG  28           NH1      ARG  28  -5.567   7.919  -6.196
  188    NH2  ARG  28           NH2      ARG  28  -6.545   7.383  -8.177
  189    H    ARG  28           H        ARG  28  -4.646   1.599  -4.354
  190    HA   ARG  28           HA       ARG  28  -4.965   4.308  -2.964
  191   1HB   ARG  28          1HB       ARG  28  -7.060   2.171  -3.727
  192   2HB   ARG  28          2HB       ARG  28  -7.411   3.688  -2.924
  193   1HG   ARG  28          2HG       ARG  28  -6.404   3.333  -5.787
  194   2HG   ARG  28          1HG       ARG  28  -8.019   3.789  -5.279
  195   1HD   ARG  28          2HD       ARG  28  -7.142   5.979  -4.354
  196   2HD   ARG  28          1HD       ARG  28  -5.489   5.510  -4.808
  197    HE   ARG  28           HE       ARG  28  -7.331   5.358  -7.119
  198   1HH1  ARG  28          1HH1      ARG  28  -5.385   7.652  -5.222
  199   2HH1  ARG  28          2HH1      ARG  28  -5.252   8.773  -6.670
  200   1HH2  ARG  28          2HH2      ARG  28  -7.106   6.712  -8.714
  201   2HH2  ARG  28          1HH2      ARG  28  -6.163   8.273  -8.513
  202    H    PHE  29           H        PHE  29  -5.454   4.405  -0.833
  203    HA   PHE  29           HA       PHE  29  -4.929   1.881   0.858
  204   1HB   PHE  29          2HB       PHE  29  -3.925   4.761   1.168
  205   2HB   PHE  29          1HB       PHE  29  -4.088   3.721   2.546
  206    HD1  PHE  29           HD1      PHE  29  -2.582   3.396  -0.969
  207    HD2  PHE  29           HD2      PHE  29  -2.132   2.645   3.251
  208    HE1  PHE  29           HE1      PHE  29  -0.373   2.430  -1.363
  209    HE2  PHE  29           HE2      PHE  29   0.093   1.696   2.826
  210    HZ   PHE  29           HZ       PHE  29   0.974   1.587   0.515
  211    HA   PRO  30           HA       PRO  30  -9.133   3.406   2.367
  212   1HB   PRO  30          1HB       PRO  30 -10.369   0.958   2.648
  213   2HB   PRO  30          2HB       PRO  30 -10.211   1.776   1.092
  214   1HG   PRO  30          1HG       PRO  30  -8.387  -0.417   2.218
  215   2HG   PRO  30          2HG       PRO  30  -9.180  -0.395   0.635
  216   1HD   PRO  30          1HD       PRO  30  -6.570   0.438   1.004
  217   2HD   PRO  30          2HD       PRO  30  -7.596   1.246  -0.208
  218    NH1  ARG  31           NH1      ARG  31  -8.124   7.320   2.368
  219    NH2  ARG  31           NH2      ARG  31  -7.076   9.008   3.471
  220    H    ARG  31           H        ARG  31  -9.903   3.411   4.426
  221    HA   ARG  31           HA       ARG  31  -7.809   3.035   6.466
  222   1HB   ARG  31          1HB       ARG  31 -10.546   4.472   6.461
  223   2HB   ARG  31          2HB       ARG  31  -9.568   4.360   7.896
  224   1HG   ARG  31          2HG       ARG  31  -9.091   6.467   7.032
  225   2HG   ARG  31          1HG       ARG  31  -7.641   5.507   6.787
  226   1HD   ARG  31          2HD       ARG  31  -8.205   5.253   4.337
  227   2HD   ARG  31          1HD       ARG  31  -9.726   6.131   4.581
  228    HE   ARG  31           HE       ARG  31  -7.601   7.865   5.518
  229   1HH1  ARG  31          2HH1      ARG  31  -8.633   6.430   2.429
  230   2HH1  ARG  31          1HH1      ARG  31  -7.885   7.834   1.513
  231   1HH2  ARG  31          2HH2      ARG  31  -6.785   9.409   4.370
  232   2HH2  ARG  31          1HH2      ARG  31  -6.910   9.404   2.540
  233    H    GLY  32           H        GLY  32  -8.358   2.499   8.725
  234   1HA   GLY  32          1HA       GLY  32  -9.219   1.108  10.455
  235   2HA   GLY  32          2HA       GLY  32 -10.591   0.739   9.440
  236    H    ASP  33           H        ASP  33 -10.732  -1.326   9.015
  237    HA   ASP  33           HA       ASP  33  -8.247  -3.129   8.744
  238   1HB   ASP  33          2HB       ASP  33  -9.789  -3.690  10.701
  239   2HB   ASP  33          1HB       ASP  33 -11.083  -4.019   9.561
  240    H    ALA  34           H        ALA  34  -8.614  -1.639   6.661
  241    HA   ALA  34           HA       ALA  34  -9.591  -3.642   4.559
  242   1HB   ALA  34          1HB       ALA  34 -11.194  -1.739   4.655
  243   2HB   ALA  34          3HB       ALA  34  -9.868  -0.571   4.401
  244   3HB   ALA  34          2HB       ALA  34 -10.298  -1.740   3.123
  245    H    ASP  35           H        ASP  35  -8.122  -4.172   3.221
  246    HA   ASP  35           HA       ASP  35  -5.311  -3.237   3.580
  247   1HB   ASP  35          1HB       ASP  35  -6.416  -5.530   1.847
  248   2HB   ASP  35          2HB       ASP  35  -4.721  -5.118   1.949
  249    HA   PRO  36           HA       PRO  36  -5.002  -0.527  -0.042
  250   1HB   PRO  36          2HB       PRO  36  -2.223  -1.683  -0.488
  251   2HB   PRO  36          1HB       PRO  36  -2.741   0.010  -0.439
  252   1HG   PRO  36          1HG       PRO  36  -1.532  -1.113   1.733
  253   2HG   PRO  36          2HG       PRO  36  -2.914  -0.016   1.957
  254   1HD   PRO  36          1HD       PRO  36  -2.927  -3.071   2.125
  255   2HD   PRO  36          2HD       PRO  36  -3.764  -1.848   3.123
  256    OH   TYR  37           OH       TYR  37 -10.433   2.556  -3.839
  257    H    TYR  37           H        TYR  37  -5.926  -0.736  -1.943
  258    HA   TYR  37           HA       TYR  37  -5.631  -3.319  -3.566
  259   1HB   TYR  37          1HB       TYR  37  -7.829  -3.006  -4.435
  260   2HB   TYR  37          2HB       TYR  37  -7.897  -2.966  -2.705
  261    HD1  TYR  37           HD1      TYR  37  -8.302  -0.926  -5.802
  262    HD2  TYR  37           HD2      TYR  37  -8.579  -0.867  -1.515
  263    HE1  TYR  37           HE1      TYR  37  -9.505   1.209  -5.908
  264    HE2  TYR  37           HE2      TYR  37  -9.812   1.255  -1.625
  265    HH   TYR  37           HH       TYR  37 -10.648   2.840  -2.947
  266    H    CYS  38           H        CYS  38  -5.301  -3.256  -5.722
  267    HA   CYS  38           HA       CYS  38  -4.276  -0.702  -6.997
  268   1HB   CYS  38          1HB       CYS  38  -3.063  -2.916  -7.324
  269   2HB   CYS  38          2HB       CYS  38  -4.430  -3.471  -8.330
  270    H    GLU  39           H        GLU  39  -5.428   0.431  -8.455
  271    HA   GLU  39           HA       GLU  39  -8.401  -0.106  -8.526
  272   1HB   GLU  39          1HB       GLU  39  -7.374   2.040  -7.652
  273   2HB   GLU  39          2HB       GLU  39  -6.811   2.426  -9.273
  274   1HG   GLU  39          1HG       GLU  39  -9.239   2.457 -10.071
  275   2HG   GLU  39          2HG       GLU  39  -9.771   2.029  -8.446
   
  Start of MODEL          21
 Raw file had 275 H/Q atoms
  Start of MODEL   21
    1   1H    ALA   1          3H        ALA   1  11.282 -10.565 -14.214
    2   2H    ALA   1          1H        ALA   1  11.889 -11.332 -12.883
    3   3H    ALA   1          2H        ALA   1  10.604 -11.979 -13.694
    4    HA   ALA   1           HA       ALA   1   9.185 -10.153 -13.116
    5   1HB   ALA   1          2HB       ALA   1   9.210 -12.140 -11.612
    6   2HB   ALA   1          3HB       ALA   1  10.555 -11.452 -10.664
    7   3HB   ALA   1          1HB       ALA   1   8.959 -10.663 -10.663
    8    HA   PRO   2           HA       PRO   2  11.581  -6.377 -12.197
    9   1HB   PRO   2          1HB       PRO   2   9.566  -4.541 -11.736
   10   2HB   PRO   2          2HB       PRO   2   9.869  -5.273 -13.314
   11   1HG   PRO   2          2HG       PRO   2   7.776  -6.122 -11.245
   12   2HG   PRO   2          1HG       PRO   2   7.535  -5.838 -12.985
   13   1HD   PRO   2          1HD       PRO   2   7.936  -8.377 -11.928
   14   2HD   PRO   2          2HD       PRO   2   8.528  -7.950 -13.561
   15    NH1  ARG   3           NH1      ARG   3  16.518  -7.002  -4.831
   16    NH2  ARG   3           NH2      ARG   3  15.918  -8.995  -5.743
   17    H    ARG   3           H        ARG   3  12.485  -5.253 -10.531
   18    HA   ARG   3           HA       ARG   3  11.846  -6.070  -7.700
   19   1HB   ARG   3          1HB       ARG   3  14.190  -6.127  -8.538
   20   2HB   ARG   3          2HB       ARG   3  14.154  -4.406  -8.864
   21   1HG   ARG   3          2HG       ARG   3  15.380  -4.810  -6.814
   22   2HG   ARG   3          1HG       ARG   3  13.939  -3.889  -6.451
   23   1HD   ARG   3          1HD       ARG   3  14.248  -5.513  -4.670
   24   2HD   ARG   3          2HD       ARG   3  12.803  -5.946  -5.546
   25    HE   ARG   3           HE       ARG   3  13.836  -7.980  -6.357
   26   1HH1  ARG   3          1HH1      ARG   3  16.260  -6.028  -4.632
   27   2HH1  ARG   3          2HH1      ARG   3  17.397  -7.468  -4.583
   28   1HH2  ARG   3          1HH2      ARG   3  15.207  -9.543  -6.241
   29   2HH2  ARG   3          2HH2      ARG   3  16.839  -9.321  -5.432
   30    H    LEU   4           H        LEU   4   9.975  -5.029  -7.224
   31    HA   LEU   4           HA       LEU   4   9.615  -2.077  -7.698
   32   1HB   LEU   4          1HB       LEU   4   7.624  -4.264  -6.909
   33   2HB   LEU   4          2HB       LEU   4   7.245  -2.591  -7.266
   34    HG   LEU   4           HG       LEU   4   8.418  -4.590  -9.286
   35   1HD1  LEU   4          2HD1      LEU   4   6.082  -5.099  -8.617
   36   2HD1  LEU   4          1HD1      LEU   4   5.577  -3.429  -8.979
   37   3HD1  LEU   4          3HD1      LEU   4   6.133  -4.506 -10.291
   38   1HD2  LEU   4          3HD2      LEU   4   7.478  -1.688  -9.777
   39   2HD2  LEU   4          1HD2      LEU   4   9.142  -2.296  -9.942
   40   3HD2  LEU   4          2HD2      LEU   4   7.879  -2.866 -11.045
   41    HA   PRO   5           HA       PRO   5   9.840  -1.153  -3.102
   42   1HB   PRO   5          1HB       PRO   5   8.223   1.239  -4.166
   43   2HB   PRO   5          2HB       PRO   5   9.557   1.235  -2.993
   44   1HG   PRO   5          1HG       PRO   5  10.041   1.998  -5.545
   45   2HG   PRO   5          2HG       PRO   5  11.206   0.911  -4.745
   46   1HD   PRO   5          1HD       PRO   5   8.994   0.154  -6.737
   47   2HD   PRO   5          2HD       PRO   5  10.696  -0.395  -6.676
   48    H    GLN   6           H        GLN   6   8.136  -0.414  -1.467
   49    HA   GLN   6           HA       GLN   6   5.416  -1.679  -1.945
   50   1HB   GLN   6          1HB       GLN   6   6.775  -2.262   0.130
   51   2HB   GLN   6          2HB       GLN   6   6.601  -0.609   0.685
   52   1HG   GLN   6          1HG       GLN   6   4.987  -1.937   1.846
   53   2HG   GLN   6          2HG       GLN   6   4.072  -0.943   0.728
   54   1HE2  GLN   6          2HE2      GLN   6   2.403  -3.999  -0.182
   55   2HE2  GLN   6          1HE2      GLN   6   2.315  -2.252   0.371
   56    H    CYS   7           H        CYS   7   3.661  -0.504  -1.913
   57    HA   CYS   7           HA       CYS   7   3.803   2.192  -3.026
   58   1HB   CYS   7          1HB       CYS   7   1.364   0.546  -2.123
   59   2HB   CYS   7          2HB       CYS   7   1.226   2.110  -2.947
   60    H    GLN   8           H        GLN   8   2.773   4.093  -2.409
   61    HA   GLN   8           HA       GLN   8   2.578   4.649   0.596
   62   1HB   GLN   8          1HB       GLN   8   3.292   6.909   0.246
   63   2HB   GLN   8          2HB       GLN   8   4.441   5.828  -0.523
   64   1HG   GLN   8          1HG       GLN   8   3.214   6.372  -2.788
   65   2HG   GLN   8          2HG       GLN   8   2.354   7.619  -1.918
   66   1HE2  GLN   8          2HE2      GLN   8   6.051   8.519  -3.230
   67   2HE2  GLN   8          1HE2      GLN   8   5.142   6.990  -3.687
   68    H    GLY   9           H        GLY   9   0.930   5.342  -2.498
   69   1HA   GLY   9          1HA       GLY   9  -1.699   5.386  -2.239
   70   2HA   GLY   9          2HA       GLY   9  -1.457   6.577  -0.976
   71    H    ASP  10           H        ASP  10  -1.574   6.029  -4.271
   72    HA   ASP  10           HA       ASP  10  -1.310   7.256  -6.260
   73   1HB   ASP  10          1HB       ASP  10  -2.804   8.959  -5.097
   74   2HB   ASP  10          2HB       ASP  10  -1.366   9.857  -4.621
   75    H    ASP  11           H        ASP  11   0.641   6.332  -6.646
   76    HA   ASP  11           HA       ASP  11   3.126   7.276  -5.277
   77   1HB   ASP  11          1HB       ASP  11   2.425   4.879  -7.106
   78   2HB   ASP  11          2HB       ASP  11   4.071   5.219  -6.649
   79    H    GLN  12           H        GLN  12   5.118   7.476  -6.328
   80    HA   GLN  12           HA       GLN  12   5.159   9.109  -8.875
   81   1HB   GLN  12          1HB       GLN  12   7.452   8.243  -7.000
   82   2HB   GLN  12          2HB       GLN  12   7.667   9.178  -8.478
   83   1HG   GLN  12          1HG       GLN  12   6.216  11.021  -7.584
   84   2HG   GLN  12          2HG       GLN  12   5.958  10.132  -6.093
   85   1HE2  GLN  12          2HE2      GLN  12   9.183  11.079  -4.755
   86   2HE2  GLN  12          1HE2      GLN  12   7.689  10.026  -4.568
   87    H    GLU  13           H        GLU  13   6.418   5.891  -7.801
   88    HA   GLU  13           HA       GLU  13   6.609   5.061 -10.754
   89   1HB   GLU  13          1HB       GLU  13   8.600   4.232  -8.545
   90   2HB   GLU  13          2HB       GLU  13   8.591   3.651 -10.197
   91   1HG   GLU  13          1HG       GLU  13   9.062   5.955 -11.085
   92   2HG   GLU  13          2HG       GLU  13   9.128   6.585  -9.442
   93    H    LYS  14           H        LYS  14   6.636   2.714 -11.003
   94    HA   LYS  14           HA       LYS  14   4.278   1.493  -9.963
   95   1HB   LYS  14          1HB       LYS  14   5.315   0.973 -12.155
   96   2HB   LYS  14          2HB       LYS  14   6.645   0.112 -11.372
   97   1HG   LYS  14          2HG       LYS  14   5.106  -1.631 -10.529
   98   2HG   LYS  14          1HG       LYS  14   3.697  -0.719 -11.041
   99   1HD   LYS  14          1HD       LYS  14   4.383  -0.949 -13.451
  100   2HD   LYS  14          2HD       LYS  14   5.820  -1.861 -12.961
  101   1HE   LYS  14          1HE       LYS  14   4.361  -3.655 -11.946
  102   2HE   LYS  14          2HE       LYS  14   2.905  -2.741 -12.362
  103   1HZ   LYS  14          1HZ       LYS  14   4.879  -3.810 -14.324
  104   2HZ   LYS  14          2HZ       LYS  14   3.386  -4.442 -14.006
  105   3HZ   LYS  14          3HZ       LYS  14   3.519  -2.956 -14.716
  106    H    CYS  15           H        CYS  15   3.848   0.094  -8.312
  107    HA   CYS  15           HA       CYS  15   6.016  -0.923  -6.445
  108   1HB   CYS  15          1HB       CYS  15   5.073   0.390  -4.511
  109   2HB   CYS  15          2HB       CYS  15   5.649   1.475  -5.792
  110    H    LEU  16           H        LEU  16   5.115  -2.023  -4.590
  111    HA   LEU  16           HA       LEU  16   3.007  -4.029  -5.308
  112   1HB   LEU  16          2HB       LEU  16   4.630  -3.568  -2.730
  113   2HB   LEU  16          1HB       LEU  16   3.490  -4.874  -2.895
  114    HG   LEU  16           HG       LEU  16   5.945  -4.558  -4.724
  115   1HD1  LEU  16          3HD1      LEU  16   6.653  -4.827  -2.345
  116   2HD1  LEU  16          1HD1      LEU  16   5.618  -6.262  -2.166
  117   3HD1  LEU  16          2HD1      LEU  16   7.019  -6.298  -3.270
  118   1HD2  LEU  16          1HD2      LEU  16   4.118  -6.003  -5.712
  119   2HD2  LEU  16          2HD2      LEU  16   5.530  -6.980  -5.265
  120   3HD2  LEU  16          3HD2      LEU  16   4.083  -6.982  -4.226
  121    H    CYS  17           H        CYS  17   0.925  -3.599  -5.046
  122    HA   CYS  17           HA       CYS  17  -0.078  -1.657  -2.903
  123   1HB   CYS  17          1HB       CYS  17  -0.776  -1.496  -5.427
  124   2HB   CYS  17          2HB       CYS  17  -1.864  -2.859  -5.073
  125    H    ASN  18           H        ASN  18   0.384  -3.037  -1.255
  126    HA   ASN  18           HA       ASN  18   0.058  -4.587   0.429
  127   1HB   ASN  18          1HB       ASN  18  -2.446  -4.462   0.086
  128   2HB   ASN  18          2HB       ASN  18  -2.344  -5.785  -1.058
  129   1HD2  ASN  18          1HD2      ASN  18  -2.805  -8.040   1.666
  130   2HD2  ASN  18          2HD2      ASN  18  -3.287  -7.447  -0.003
  131    H    LYS  19           H        LYS  19  -0.911  -6.747  -2.148
  132    HA   LYS  19           HA       LYS  19   1.896  -7.965  -2.281
  133   1HB   LYS  19          1HB       LYS  19  -0.784  -9.402  -2.811
  134   2HB   LYS  19          2HB       LYS  19   0.820 -10.118  -2.899
  135   1HG   LYS  19          2HG       LYS  19   1.130  -9.544  -0.409
  136   2HG   LYS  19          1HG       LYS  19  -0.552  -9.078  -0.345
  137   1HD   LYS  19          2HD       LYS  19   0.477 -11.878  -1.120
  138   2HD   LYS  19          1HD       LYS  19  -0.104 -11.433   0.468
  139   1HE   LYS  19          2HE       LYS  19  -1.841 -11.443  -2.096
  140   2HE   LYS  19          1HE       LYS  19  -1.782 -12.729  -0.897
  141   1HZ   LYS  19          3HZ       LYS  19  -2.640 -11.172   0.768
  142   2HZ   LYS  19          2HZ       LYS  19  -2.699  -9.951  -0.344
  143   3HZ   LYS  19          1HZ       LYS  19  -3.667 -11.278  -0.522
  144    H    ASP  20           H        ASP  20  -0.661  -6.544  -4.239
  145    HA   ASP  20           HA       ASP  20   0.240  -7.986  -6.754
  146   1HB   ASP  20          1HB       ASP  20  -2.177  -6.133  -6.220
  147   2HB   ASP  20          2HB       ASP  20  -1.805  -6.857  -7.777
  148    H    GLU  21           H        GLU  21   1.496  -7.068  -8.246
  149    HA   GLU  21           HA       GLU  21   2.696  -4.450  -7.965
  150   1HB   GLU  21          1HB       GLU  21   3.804  -4.877 -10.068
  151   2HB   GLU  21          2HB       GLU  21   3.892  -6.252  -8.979
  152   1HG   GLU  21          1HG       GLU  21   2.109  -7.427 -10.391
  153   2HG   GLU  21          2HG       GLU  21   2.110  -6.055 -11.497
  154    H    CYS  22           H        CYS  22   2.119  -2.551  -8.561
  155    HA   CYS  22           HA       CYS  22  -0.377  -2.092 -10.280
  156   1HB   CYS  22          1HB       CYS  22  -0.858  -2.395  -7.803
  157   2HB   CYS  22          2HB       CYS  22   0.082  -0.915  -7.485
  158    HA   PRO  23           HA       PRO  23   2.584   1.188 -11.696
  159   1HB   PRO  23          1HB       PRO  23   0.158   2.060 -13.340
  160   2HB   PRO  23          2HB       PRO  23   1.856   1.872 -13.831
  161   1HG   PRO  23          2HG       PRO  23   0.036  -0.060 -14.473
  162   2HG   PRO  23          1HG       PRO  23   1.661  -0.536 -13.918
  163   1HD   PRO  23          1HD       PRO  23  -0.937  -0.478 -12.276
  164   2HD   PRO  23          2HD       PRO  23   0.356  -1.720 -12.338
  165    HA   PRO  24           HA       PRO  24   1.905   4.751  -9.228
  166   1HB   PRO  24          2HB       PRO  24   2.637   6.992 -10.867
  167   2HB   PRO  24          1HB       PRO  24   3.692   5.898  -9.967
  168   1HG   PRO  24          2HG       PRO  24   2.890   5.716 -12.908
  169   2HG   PRO  24          1HG       PRO  24   4.516   5.550 -12.195
  170   1HD   PRO  24          2HD       PRO  24   3.191   3.272 -12.801
  171   2HD   PRO  24          1HD       PRO  24   3.963   3.360 -11.266
  172    H    GLY  25           H        GLY  25   0.361   5.962  -8.429
  173   1HA   GLY  25          1HA       GLY  25  -1.575   7.529  -8.509
  174   2HA   GLY  25          2HA       GLY  25  -1.930   7.080 -10.145
  175    H    GLN  26           H        GLN  26  -2.084   4.377 -10.127
  176    HA   GLN  26           HA       GLN  26  -4.738   3.873  -9.262
  177   1HB   GLN  26          2HB       GLN  26  -2.491   1.895 -10.018
  178   2HB   GLN  26          1HB       GLN  26  -4.146   1.384  -9.782
  179   1HG   GLN  26          2HG       GLN  26  -4.955   2.855 -11.610
  180   2HG   GLN  26          1HG       GLN  26  -3.345   3.507 -11.856
  181   1HE2  GLN  26          2HE2      GLN  26  -2.505   0.812 -14.055
  182   2HE2  GLN  26          1HE2      GLN  26  -2.250   2.538 -13.481
  183    H    CYS  27           H        CYS  27  -1.876   3.115  -7.239
  184    HA   CYS  27           HA       CYS  27  -3.260   1.129  -5.590
  185   1HB   CYS  27          1HB       CYS  27  -0.775   1.259  -5.766
  186   2HB   CYS  27          2HB       CYS  27  -0.777   2.752  -4.795
  187    NH1  ARG  28           NH1      ARG  28  -6.255   7.078  -7.046
  188    NH2  ARG  28           NH2      ARG  28  -7.452   6.190  -8.762
  189    H    ARG  28           H        ARG  28  -4.995   1.604  -4.482
  190    HA   ARG  28           HA       ARG  28  -5.423   4.249  -3.060
  191   1HB   ARG  28          1HB       ARG  28  -7.380   1.893  -3.431
  192   2HB   ARG  28          2HB       ARG  28  -7.769   3.501  -2.848
  193   1HG   ARG  28          2HG       ARG  28  -7.011   2.690  -5.682
  194   2HG   ARG  28          1HG       ARG  28  -8.572   3.236  -5.100
  195   1HD   ARG  28          1HD       ARG  28  -7.644   5.557  -4.682
  196   2HD   ARG  28          2HD       ARG  28  -6.040   5.009  -5.216
  197    HE   ARG  28           HE       ARG  28  -8.144   4.448  -7.238
  198   1HH1  ARG  28          1HH1      ARG  28  -5.967   7.007  -6.064
  199   2HH1  ARG  28          2HH1      ARG  28  -5.986   7.808  -7.715
  200   1HH2  ARG  28          2HH2      ARG  28  -8.075   5.444  -9.091
  201   2HH2  ARG  28          1HH2      ARG  28  -7.099   6.982  -9.310
  202    H    PHE  29           H        PHE  29  -5.934   4.368  -0.874
  203    HA   PHE  29           HA       PHE  29  -5.124   1.968   0.891
  204   1HB   PHE  29          2HB       PHE  29  -4.172   4.877   1.031
  205   2HB   PHE  29          1HB       PHE  29  -4.255   3.901   2.465
  206    HD1  PHE  29           HD1      PHE  29  -2.821   3.686  -1.062
  207    HD2  PHE  29           HD2      PHE  29  -2.399   2.551   3.071
  208    HE1  PHE  29           HE1      PHE  29  -0.673   2.622  -1.563
  209    HE2  PHE  29           HE2      PHE  29  -0.231   1.517   2.549
  210    HZ   PHE  29           HZ       PHE  29   0.631   1.547   0.232
  211    HA   PRO  30           HA       PRO  30  -9.347   3.396   2.379
  212   1HB   PRO  30          1HB       PRO  30 -10.476   0.910   2.816
  213   2HB   PRO  30          2HB       PRO  30 -10.360   1.653   1.217
  214   1HG   PRO  30          1HG       PRO  30  -8.443  -0.401   2.443
  215   2HG   PRO  30          2HG       PRO  30  -9.234  -0.489   0.861
  216   1HD   PRO  30          1HD       PRO  30  -6.665   0.456   1.183
  217   2HD   PRO  30          2HD       PRO  30  -7.727   1.176  -0.060
  218    NH1  ARG  31           NH1      ARG  31 -11.429   9.007   9.421
  219    NH2  ARG  31           NH2      ARG  31  -9.774   8.960  10.979
  220    H    ARG  31           H        ARG  31 -10.170   3.498   4.428
  221    HA   ARG  31           HA       ARG  31  -8.152   3.446   6.520
  222   1HB   ARG  31          1HB       ARG  31 -10.116   5.170   5.940
  223   2HB   ARG  31          2HB       ARG  31 -11.109   4.152   6.973
  224   1HG   ARG  31          1HG       ARG  31  -9.531   4.617   8.900
  225   2HG   ARG  31          2HG       ARG  31  -8.481   5.536   7.820
  226   1HD   ARG  31          1HD       ARG  31 -10.373   7.177   7.390
  227   2HD   ARG  31          2HD       ARG  31 -11.424   6.242   8.471
  228    HE   ARG  31           HE       ARG  31  -9.004   6.929   9.954
  229   1HH1  ARG  31          1HH1      ARG  31 -11.865   8.558   8.608
  230   2HH1  ARG  31          2HH1      ARG  31 -11.732   9.873   9.881
  231   1HH2  ARG  31          2HH2      ARG  31  -8.950   8.479  11.355
  232   2HH2  ARG  31          1HH2      ARG  31 -10.192   9.828  11.330
  233    H    GLY  32           H        GLY  32  -8.762   2.899   8.812
  234   1HA   GLY  32          1HA       GLY  32  -9.330   1.378  10.544
  235   2HA   GLY  32          2HA       GLY  32 -10.567   0.724   9.496
  236    H    ASP  33           H        ASP  33 -10.297  -1.365   9.296
  237    HA   ASP  33           HA       ASP  33  -7.511  -2.617   8.914
  238   1HB   ASP  33          2HB       ASP  33  -8.706  -3.376  11.039
  239   2HB   ASP  33          1HB       ASP  33  -9.996  -4.045  10.053
  240    H    ALA  34           H        ALA  34  -8.306  -1.399   6.827
  241    HA   ALA  34           HA       ALA  34  -9.259  -3.608   4.921
  242   1HB   ALA  34          1HB       ALA  34 -10.942  -1.778   5.059
  243   2HB   ALA  34          2HB       ALA  34  -9.706  -0.572   4.612
  244   3HB   ALA  34          3HB       ALA  34 -10.186  -1.840   3.455
  245    H    ASP  35           H        ASP  35  -7.886  -4.141   3.510
  246    HA   ASP  35           HA       ASP  35  -5.088  -3.115   3.603
  247   1HB   ASP  35          1HB       ASP  35  -6.312  -5.492   2.061
  248   2HB   ASP  35          2HB       ASP  35  -4.616  -5.059   1.967
  249    HA   PRO  36           HA       PRO  36  -5.219  -0.565  -0.050
  250   1HB   PRO  36          1HB       PRO  36  -2.554  -0.505  -0.920
  251   2HB   PRO  36          2HB       PRO  36  -3.215   0.321   0.493
  252   1HG   PRO  36          1HG       PRO  36  -1.695  -2.301   0.418
  253   2HG   PRO  36          2HG       PRO  36  -1.531  -0.972   1.577
  254   1HD   PRO  36          1HD       PRO  36  -2.999  -3.284   2.110
  255   2HD   PRO  36          2HD       PRO  36  -3.416  -1.708   2.839
  256    OH   TYR  37           OH       TYR  37 -10.863   2.040  -3.536
  257    H    TYR  37           H        TYR  37  -6.006  -0.791  -1.971
  258    HA   TYR  37           HA       TYR  37  -5.519  -3.353  -3.578
  259   1HB   TYR  37          1HB       TYR  37  -7.785  -3.243  -4.360
  260   2HB   TYR  37          2HB       TYR  37  -7.763  -3.231  -2.628
  261    HD1  TYR  37           HD1      TYR  37  -8.511  -1.196  -5.658
  262    HD2  TYR  37           HD2      TYR  37  -8.591  -1.221  -1.358
  263    HE1  TYR  37           HE1      TYR  37  -9.916   0.812  -5.669
  264    HE2  TYR  37           HE2      TYR  37 -10.025   0.773  -1.379
  265    HH   TYR  37           HH       TYR  37 -11.055   2.295  -2.631
  266    H    CYS  38           H        CYS  38  -5.237  -3.293  -5.738
  267    HA   CYS  38           HA       CYS  38  -4.320  -0.736  -7.028
  268   1HB   CYS  38          1HB       CYS  38  -3.156  -2.982  -7.366
  269   2HB   CYS  38          2HB       CYS  38  -4.546  -3.515  -8.340
  270    H    GLU  39           H        GLU  39  -5.519   0.490  -8.347
  271    HA   GLU  39           HA       GLU  39  -8.451  -0.049  -8.584
  272   1HB   GLU  39          2HB       GLU  39  -7.397   2.210  -7.932
  273   2HB   GLU  39          1HB       GLU  39  -6.861   2.392  -9.585
  274   1HG   GLU  39          2HG       GLU  39  -8.854   3.673  -9.417
  275   2HG   GLU  39          1HG       GLU  39  -9.354   2.252 -10.313
   
  Start of MODEL          22
 Raw file had 275 H/Q atoms
  Start of MODEL   22
    1   1H    ALA   1          3H        ALA   1  10.588 -10.609 -14.512
    2   2H    ALA   1          2H        ALA   1  11.946 -10.999 -13.657
    3   3H    ALA   1          1H        ALA   1  10.846 -12.170 -14.037
    4    HA   ALA   1           HA       ALA   1   9.163 -11.190 -12.637
    5   1HB   ALA   1          3HB       ALA   1  10.607 -12.922 -11.638
    6   2HB   ALA   1          2HB       ALA   1  11.824 -11.705 -11.168
    7   3HB   ALA   1          1HB       ALA   1  10.205 -11.691 -10.426
    8    HA   PRO   2           HA       PRO   2  10.090  -6.625 -12.463
    9   1HB   PRO   2          1HB       PRO   2   7.413  -6.642 -10.962
   10   2HB   PRO   2          2HB       PRO   2   7.985  -5.528 -12.222
   11   1HG   PRO   2          1HG       PRO   2   6.265  -7.527 -12.873
   12   2HG   PRO   2          2HG       PRO   2   7.634  -7.180 -13.956
   13   1HD   PRO   2          1HD       PRO   2   7.399  -9.445 -11.898
   14   2HD   PRO   2          2HD       PRO   2   8.043  -9.479 -13.567
   15    NH1  ARG   3           NH1      ARG   3  18.305  -6.761  -9.076
   16    NH2  ARG   3           NH2      ARG   3  17.972  -6.156  -6.910
   17    H    ARG   3           H        ARG   3  11.465  -5.744 -11.056
   18    HA   ARG   3           HA       ARG   3  11.447  -6.445  -8.106
   19   1HB   ARG   3          2HB       ARG   3  13.516  -5.039  -9.908
   20   2HB   ARG   3          1HB       ARG   3  13.670  -5.190  -8.173
   21   1HG   ARG   3          2HG       ARG   3  13.601  -7.720  -8.344
   22   2HG   ARG   3          1HG       ARG   3  13.429  -7.584 -10.086
   23   1HD   ARG   3          1HD       ARG   3  15.732  -8.086  -9.682
   24   2HD   ARG   3          2HD       ARG   3  15.676  -6.410 -10.235
   25    HE   ARG   3           HE       ARG   3  15.622  -6.450  -7.291
   26   1HH1  ARG   3          2HH1      ARG   3  17.886  -7.054  -9.966
   27   2HH1  ARG   3          1HH1      ARG   3  19.303  -6.627  -8.881
   28   1HH2  ARG   3          1HH2      ARG   3  17.305  -5.986  -6.150
   29   2HH2  ARG   3          2HH2      ARG   3  18.993  -6.062  -6.866
   30    H    LEU   4           H        LEU   4   9.706  -5.269  -7.409
   31    HA   LEU   4           HA       LEU   4   9.480  -2.317  -7.985
   32   1HB   LEU   4          1HB       LEU   4   7.430  -4.356  -6.980
   33   2HB   LEU   4          2HB       LEU   4   7.119  -2.677  -7.374
   34    HG   LEU   4           HG       LEU   4   8.040  -4.805  -9.388
   35   1HD1  LEU   4          2HD1      LEU   4   5.722  -5.154  -8.524
   36   2HD1  LEU   4          3HD1      LEU   4   5.277  -3.492  -8.992
   37   3HD1  LEU   4          1HD1      LEU   4   5.727  -4.692 -10.238
   38   1HD2  LEU   4          3HD2      LEU   4   7.193  -1.884  -9.937
   39   2HD2  LEU   4          1HD2      LEU   4   8.821  -2.565 -10.173
   40   3HD2  LEU   4          2HD2      LEU   4   7.475  -3.129 -11.176
   41    HA   PRO   5           HA       PRO   5  10.010  -1.261  -3.441
   42   1HB   PRO   5          1HB       PRO   5   8.443   1.170  -4.487
   43   2HB   PRO   5          2HB       PRO   5   9.849   1.136  -3.399
   44   1HG   PRO   5          2HG       PRO   5  10.197   1.805  -6.003
   45   2HG   PRO   5          1HG       PRO   5  11.367   0.698  -5.240
   46   1HD   PRO   5          1HD       PRO   5   9.003  -0.033  -7.064
   47   2HD   PRO   5          2HD       PRO   5  10.686  -0.644  -7.096
   48    H    GLN   6           H        GLN   6   8.423  -0.440  -1.740
   49    HA   GLN   6           HA       GLN   6   5.658  -1.653  -2.048
   50   1HB   GLN   6          1HB       GLN   6   7.175  -2.183  -0.009
   51   2HB   GLN   6          2HB       GLN   6   6.959  -0.517   0.491
   52   1HG   GLN   6          1HG       GLN   6   5.433  -1.878   1.747
   53   2HG   GLN   6          2HG       GLN   6   4.471  -0.886   0.665
   54   1HE2  GLN   6          2HE2      GLN   6   2.753  -3.935  -0.148
   55   2HE2  GLN   6          1HE2      GLN   6   2.697  -2.193   0.425
   56    H    CYS   7           H        CYS   7   3.935  -0.423  -2.124
   57    HA   CYS   7           HA       CYS   7   4.077   2.308  -3.099
   58   1HB   CYS   7          1HB       CYS   7   1.651   0.659  -2.145
   59   2HB   CYS   7          2HB       CYS   7   1.501   2.246  -2.921
   60    H    GLN   8           H        GLN   8   3.234   4.223  -2.351
   61    HA   GLN   8           HA       GLN   8   3.051   4.639   0.675
   62   1HB   GLN   8          1HB       GLN   8   3.596   6.800  -1.468
   63   2HB   GLN   8          2HB       GLN   8   3.539   7.004   0.269
   64   1HG   GLN   8          2HG       GLN   8   5.809   6.954  -0.012
   65   2HG   GLN   8          1HG       GLN   8   5.527   5.277   0.396
   66   1HE2  GLN   8          2HE2      GLN   8   6.863   6.222  -3.408
   67   2HE2  GLN   8          1HE2      GLN   8   6.159   7.510  -2.305
   68    H    GLY   9           H        GLY   9   1.496   5.822  -2.358
   69   1HA   GLY   9          1HA       GLY   9  -1.190   5.514  -1.963
   70   2HA   GLY   9          2HA       GLY   9  -0.945   6.805  -0.795
   71    H    ASP  10           H        ASP  10  -1.321   6.052  -4.016
   72    HA   ASP  10           HA       ASP  10  -1.313   7.167  -6.085
   73   1HB   ASP  10          1HB       ASP  10  -2.777   8.857  -4.870
   74   2HB   ASP  10          2HB       ASP  10  -1.352   9.851  -4.588
   75    H    ASP  11           H        ASP  11   0.650   6.262  -6.512
   76    HA   ASP  11           HA       ASP  11   3.176   7.420  -5.460
   77   1HB   ASP  11          1HB       ASP  11   2.454   4.861  -7.053
   78   2HB   ASP  11          2HB       ASP  11   4.108   5.278  -6.678
   79    H    GLN  12           H        GLN  12   5.065   7.675  -6.624
   80    HA   GLN  12           HA       GLN  12   4.879   9.000  -9.341
   81   1HB   GLN  12          1HB       GLN  12   7.307   8.539  -7.493
   82   2HB   GLN  12          2HB       GLN  12   7.385   9.311  -9.074
   83   1HG   GLN  12          1HG       GLN  12   5.796  11.123  -8.312
   84   2HG   GLN  12          2HG       GLN  12   5.722  10.392  -6.718
   85   1HE2  GLN  12          2HE2      GLN  12   8.985  12.684  -7.614
   86   2HE2  GLN  12          1HE2      GLN  12   7.672  12.334  -8.849
   87    H    GLU  13           H        GLU  13   6.333   5.996  -7.972
   88    HA   GLU  13           HA       GLU  13   6.809   4.984 -10.842
   89   1HB   GLU  13          1HB       GLU  13   8.272   4.126  -8.261
   90   2HB   GLU  13          2HB       GLU  13   8.562   3.486  -9.863
   91   1HG   GLU  13          2HG       GLU  13   9.148   6.382  -9.008
   92   2HG   GLU  13          1HG       GLU  13  10.316   5.086  -9.169
   93    H    LYS  14           H        LYS  14   6.840   2.567 -10.921
   94    HA   LYS  14           HA       LYS  14   4.188   1.463 -10.106
   95   1HB   LYS  14          1HB       LYS  14   5.274   0.977 -12.338
   96   2HB   LYS  14          2HB       LYS  14   6.550   0.071 -11.518
   97   1HG   LYS  14          1HG       LYS  14   4.805  -1.557 -10.650
   98   2HG   LYS  14          2HG       LYS  14   3.545  -0.622 -11.449
   99   1HD   LYS  14          1HD       LYS  14   4.560  -1.104 -13.699
  100   2HD   LYS  14          2HD       LYS  14   5.898  -1.943 -12.927
  101   1HE   LYS  14          1HE       LYS  14   4.392  -3.638 -13.752
  102   2HE   LYS  14          2HE       LYS  14   4.312  -3.681 -11.995
  103   1HZ   LYS  14          2HZ       LYS  14   2.308  -2.377 -13.783
  104   2HZ   LYS  14          1HZ       LYS  14   2.114  -3.814 -12.991
  105   3HZ   LYS  14          3HZ       LYS  14   2.218  -2.405 -12.134
  106    H    CYS  15           H        CYS  15   3.805   0.095  -8.413
  107    HA   CYS  15           HA       CYS  15   6.026  -0.907  -6.618
  108   1HB   CYS  15          1HB       CYS  15   5.255   0.479  -4.672
  109   2HB   CYS  15          2HB       CYS  15   5.795   1.513  -6.009
  110    H    LEU  16           H        LEU  16   5.157  -1.903  -4.666
  111    HA   LEU  16           HA       LEU  16   2.984  -3.875  -5.302
  112   1HB   LEU  16          2HB       LEU  16   4.772  -3.494  -2.824
  113   2HB   LEU  16          1HB       LEU  16   3.594  -4.772  -2.938
  114    HG   LEU  16           HG       LEU  16   5.920  -4.474  -4.932
  115   1HD1  LEU  16          1HD2      LEU  16   6.805  -4.782  -2.622
  116   2HD1  LEU  16          3HD2      LEU  16   5.765  -6.204  -2.375
  117   3HD1  LEU  16          2HD2      LEU  16   7.074  -6.247  -3.586
  118   1HD2  LEU  16          2HD1      LEU  16   4.045  -6.866  -4.329
  119   2HD2  LEU  16          3HD1      LEU  16   4.008  -5.871  -5.804
  120   3HD2  LEU  16          1HD1      LEU  16   5.421  -6.886  -5.462
  121    H    CYS  17           H        CYS  17   0.939  -3.375  -4.934
  122    HA   CYS  17           HA       CYS  17   0.090  -1.408  -2.762
  123   1HB   CYS  17          1HB       CYS  17  -0.714  -1.313  -5.269
  124   2HB   CYS  17          2HB       CYS  17  -1.814  -2.640  -4.824
  125    H    ASN  18           H        ASN  18   0.515  -2.735  -1.036
  126    HA   ASN  18           HA       ASN  18   0.195  -4.284   0.662
  127   1HB   ASN  18          1HB       ASN  18  -2.301  -4.144   0.325
  128   2HB   ASN  18          2HB       ASN  18  -2.222  -5.470  -0.816
  129   1HD2  ASN  18          1HD2      ASN  18  -2.562  -7.802   1.857
  130   2HD2  ASN  18          2HD2      ASN  18  -2.969  -7.266   0.150
  131    H    LYS  19           H        LYS  19  -0.774  -6.422  -1.961
  132    HA   LYS  19           HA       LYS  19   2.081  -7.460  -2.246
  133   1HB   LYS  19          2HB       LYS  19   1.289  -9.781  -2.367
  134   2HB   LYS  19          1HB       LYS  19   0.890  -9.033  -0.853
  135   1HG   LYS  19          2HG       LYS  19  -1.048 -10.180  -1.205
  136   2HG   LYS  19          1HG       LYS  19  -1.543  -8.640  -1.852
  137   1HD   LYS  19          1HD       LYS  19  -1.048  -9.498  -4.211
  138   2HD   LYS  19          2HD       LYS  19  -0.543 -11.044  -3.525
  139   1HE   LYS  19          2HE       LYS  19  -2.875 -11.366  -2.553
  140   2HE   LYS  19          1HE       LYS  19  -3.374  -9.813  -3.241
  141   1HZ   LYS  19          2HZ       LYS  19  -2.883 -10.708  -5.460
  142   2HZ   LYS  19          3HZ       LYS  19  -2.419 -12.157  -4.816
  143   3HZ   LYS  19          1HZ       LYS  19  -3.987 -11.655  -4.677
  144    H    ASP  20           H        ASP  20  -0.536  -6.159  -4.003
  145    HA   ASP  20           HA       ASP  20  -0.005  -7.734  -6.529
  146   1HB   ASP  20          1HB       ASP  20  -2.049  -5.490  -5.923
  147   2HB   ASP  20          2HB       ASP  20  -1.915  -6.334  -7.457
  148    H    GLU  21           H        GLU  21   1.247  -7.016  -8.172
  149    HA   GLU  21           HA       GLU  21   2.734  -4.501  -8.126
  150   1HB   GLU  21          1HB       GLU  21   3.505  -5.097 -10.362
  151   2HB   GLU  21          2HB       GLU  21   3.693  -6.400  -9.197
  152   1HG   GLU  21          1HG       GLU  21   1.769  -7.634 -10.236
  153   2HG   GLU  21          2HG       GLU  21   1.501  -6.314 -11.373
  154    H    CYS  22           H        CYS  22   2.122  -2.579  -8.635
  155    HA   CYS  22           HA       CYS  22  -0.530  -2.110 -10.090
  156   1HB   CYS  22          1HB       CYS  22  -0.651  -2.199  -7.555
  157   2HB   CYS  22          2HB       CYS  22   0.328  -0.715  -7.497
  158    HA   PRO  23           HA       PRO  23   1.995   1.120 -12.260
  159   1HB   PRO  23          1HB       PRO  23  -0.831   2.110 -12.967
  160   2HB   PRO  23          2HB       PRO  23   0.588   1.959 -14.024
  161   1HG   PRO  23          2HG       PRO  23  -1.326   0.053 -14.132
  162   2HG   PRO  23          1HG       PRO  23   0.381  -0.454 -14.116
  163   1HD   PRO  23          1HD       PRO  23  -1.589  -0.423 -11.755
  164   2HD   PRO  23          2HD       PRO  23  -0.419  -1.691 -12.251
  165    HA   PRO  24           HA       PRO  24   2.019   4.615  -9.407
  166   1HB   PRO  24          1HB       PRO  24   2.810   6.792 -11.028
  167   2HB   PRO  24          2HB       PRO  24   3.842   5.498 -10.415
  168   1HG   PRO  24          2HG       PRO  24   2.532   5.683 -13.163
  169   2HG   PRO  24          1HG       PRO  24   4.226   5.286 -12.777
  170   1HD   PRO  24          2HD       PRO  24   2.416   3.304 -13.309
  171   2HD   PRO  24          1HD       PRO  24   3.638   3.060 -12.034
  172    H    GLY  25           H        GLY  25   0.500   5.742  -8.459
  173   1HA   GLY  25          1HA       GLY  25  -1.272   7.494  -8.351
  174   2HA   GLY  25          2HA       GLY  25  -1.726   7.207  -9.999
  175    H    GLN  26           H        GLN  26  -1.988   4.407 -10.009
  176    HA   GLN  26           HA       GLN  26  -4.722   4.155  -9.021
  177   1HB   GLN  26          1HB       GLN  26  -2.811   2.036 -10.213
  178   2HB   GLN  26          2HB       GLN  26  -4.505   1.735  -9.888
  179   1HG   GLN  26          2HG       GLN  26  -5.113   3.729 -11.405
  180   2HG   GLN  26          1HG       GLN  26  -3.423   3.807 -11.881
  181   1HE2  GLN  26          2HE2      GLN  26  -5.708   1.165 -13.833
  182   2HE2  GLN  26          1HE2      GLN  26  -6.325   2.550 -12.797
  183    H    CYS  27           H        CYS  27  -1.865   3.372  -7.182
  184    HA   CYS  27           HA       CYS  27  -3.140   1.244  -5.540
  185   1HB   CYS  27          1HB       CYS  27  -0.685   1.343  -5.793
  186   2HB   CYS  27          2HB       CYS  27  -0.623   2.900  -4.925
  187    NH1  ARG  28           NH1      ARG  28  -5.496   7.966  -5.853
  188    NH2  ARG  28           NH2      ARG  28  -6.671   7.647  -7.772
  189    H    ARG  28           H        ARG  28  -4.733   1.652  -4.242
  190    HA   ARG  28           HA       ARG  28  -5.068   4.331  -2.798
  191   1HB   ARG  28          2HB       ARG  28  -7.131   2.209  -3.653
  192   2HB   ARG  28          1HB       ARG  28  -7.536   3.646  -2.739
  193   1HG   ARG  28          2HG       ARG  28  -6.474   3.548  -5.615
  194   2HG   ARG  28          1HG       ARG  28  -8.121   3.885  -5.108
  195   1HD   ARG  28          2HD       ARG  28  -7.348   6.035  -3.982
  196   2HD   ARG  28          1HD       ARG  28  -5.679   5.674  -4.464
  197    HE   ARG  28           HE       ARG  28  -7.658   5.715  -6.724
  198   1HH1  ARG  28          2HH1      ARG  28  -5.287   7.641  -4.903
  199   2HH1  ARG  28          1HH1      ARG  28  -5.096   8.784  -6.326
  200   1HH2  ARG  28          1HH2      ARG  28  -7.355   7.082  -8.286
  201   2HH2  ARG  28          2HH2      ARG  28  -6.189   8.487  -8.110
  202    H    PHE  29           H        PHE  29  -5.461   4.402  -0.688
  203    HA   PHE  29           HA       PHE  29  -4.942   1.852   0.968
  204   1HB   PHE  29          1HB       PHE  29  -3.952   4.743   1.326
  205   2HB   PHE  29          2HB       PHE  29  -3.954   3.594   2.627
  206    HD1  PHE  29           HD1      PHE  29  -2.690   3.835  -0.972
  207    HD2  PHE  29           HD2      PHE  29  -2.007   2.307   2.998
  208    HE1  PHE  29           HE1      PHE  29  -0.520   2.949  -1.674
  209    HE2  PHE  29           HE2      PHE  29   0.175   1.442   2.271
  210    HZ   PHE  29           HZ       PHE  29   0.914   1.753  -0.066
  211    HA   PRO  30           HA       PRO  30  -9.032   3.502   2.600
  212   1HB   PRO  30          1HB       PRO  30 -10.425   1.136   2.831
  213   2HB   PRO  30          2HB       PRO  30 -10.202   1.989   1.302
  214   1HG   PRO  30          1HG       PRO  30  -8.615  -0.405   2.341
  215   2HG   PRO  30          2HG       PRO  30  -9.311  -0.196   0.748
  216   1HD   PRO  30          1HD       PRO  30  -6.634   0.340   1.384
  217   2HD   PRO  30          2HD       PRO  30  -7.480   1.201   0.061
  218    NH1  ARG  31           NH1      ARG  31  -9.743   9.783   7.419
  219    NH2  ARG  31           NH2      ARG  31  -7.809  10.237   6.313
  220    H    ARG  31           H        ARG  31  -9.818   3.606   4.681
  221    HA   ARG  31           HA       ARG  31  -7.947   2.911   6.801
  222   1HB   ARG  31          1HB       ARG  31 -10.606   4.490   6.620
  223   2HB   ARG  31          2HB       ARG  31  -9.643   4.401   8.048
  224   1HG   ARG  31          1HG       ARG  31  -7.669   5.443   6.933
  225   2HG   ARG  31          2HG       ARG  31  -8.579   5.570   5.426
  226   1HD   ARG  31          1HD       ARG  31 -10.290   7.049   6.574
  227   2HD   ARG  31          2HD       ARG  31  -9.369   6.936   8.086
  228    HE   ARG  31           HE       ARG  31  -7.535   7.870   6.023
  229   1HH1  ARG  31          1HH1      ARG  31 -10.396   9.070   7.761
  230   2HH1  ARG  31          2HH1      ARG  31  -9.830  10.799   7.526
  231   1HH2  ARG  31          2HH2      ARG  31  -6.989   9.875   5.814
  232   2HH2  ARG  31          1HH2      ARG  31  -8.030  11.222   6.498
  233    H    GLY  32           H        GLY  32  -9.364   2.699   9.023
  234   1HA   GLY  32          1HA       GLY  32 -10.426   1.198  10.533
  235   2HA   GLY  32          2HA       GLY  32 -11.435   0.681   9.198
  236    H    ASP  33           H        ASP  33 -11.212  -1.421   8.650
  237    HA   ASP  33           HA       ASP  33  -8.522  -2.847   8.884
  238   1HB   ASP  33          2HB       ASP  33 -11.298  -3.922   9.740
  239   2HB   ASP  33          1HB       ASP  33  -9.955  -4.954   9.339
  240    H    ALA  34           H        ALA  34  -8.672  -1.734   6.710
  241    HA   ALA  34           HA       ALA  34  -9.574  -3.833   4.678
  242   1HB   ALA  34          1HB       ALA  34  -9.986  -0.786   4.364
  243   2HB   ALA  34          3HB       ALA  34 -10.319  -2.028   3.128
  244   3HB   ALA  34          2HB       ALA  34 -11.262  -2.004   4.631
  245    H    ASP  35           H        ASP  35  -8.040  -4.381   3.431
  246    HA   ASP  35           HA       ASP  35  -5.298  -3.322   3.729
  247   1HB   ASP  35          1HB       ASP  35  -6.357  -5.610   1.954
  248   2HB   ASP  35          2HB       ASP  35  -4.668  -5.159   2.032
  249    HA   PRO  36           HA       PRO  36  -5.015  -0.548   0.132
  250   1HB   PRO  36          1HB       PRO  36  -2.225  -1.715  -0.317
  251   2HB   PRO  36          2HB       PRO  36  -2.734  -0.017  -0.265
  252   1HG   PRO  36          2HG       PRO  36  -1.536  -1.140   1.906
  253   2HG   PRO  36          1HG       PRO  36  -2.931  -0.059   2.137
  254   1HD   PRO  36          1HD       PRO  36  -2.914  -3.112   2.263
  255   2HD   PRO  36          2HD       PRO  36  -3.754  -1.912   3.290
  256    OH   TYR  37           OH       TYR  37 -10.523   2.406  -3.193
  257    H    TYR  37           H        TYR  37  -5.853  -0.720  -1.822
  258    HA   TYR  37           HA       TYR  37  -5.567  -3.320  -3.428
  259   1HB   TYR  37          2HB       TYR  37  -7.798  -3.032  -4.277
  260   2HB   TYR  37          1HB       TYR  37  -7.808  -3.103  -2.546
  261    HD1  TYR  37           HD1      TYR  37  -8.388  -0.875  -5.481
  262    HD2  TYR  37           HD2      TYR  37  -8.509  -1.128  -1.197
  263    HE1  TYR  37           HE1      TYR  37  -9.662   1.226  -5.392
  264    HE2  TYR  37           HE2      TYR  37  -9.787   0.958  -1.100
  265    HH   TYR  37           HH       TYR  37 -10.705   2.623  -2.276
  266    H    CYS  38           H        CYS  38  -5.168  -3.258  -5.527
  267    HA   CYS  38           HA       CYS  38  -4.326  -0.667  -6.866
  268   1HB   CYS  38          1HB       CYS  38  -2.930  -2.791  -7.091
  269   2HB   CYS  38          2HB       CYS  38  -4.241  -3.507  -8.062
  270    H    GLU  39           H        GLU  39  -5.625   0.371  -8.250
  271    HA   GLU  39           HA       GLU  39  -8.432  -0.507  -8.774
  272   1HB   GLU  39          2HB       GLU  39  -6.874   1.930  -9.842
  273   2HB   GLU  39          1HB       GLU  39  -8.574   1.620 -10.164
  274   1HG   GLU  39          1HG       GLU  39  -9.137   1.749  -7.737
  275   2HG   GLU  39          2HG       GLU  39  -7.448   2.004  -7.319
   
  Start of MODEL          23
 Raw file had 275 H/Q atoms
  Start of MODEL   23
    1   1H    ALA   1          1H        ALA   1  15.329  -9.498 -13.108
    2   2H    ALA   1          3H        ALA   1  15.102 -10.548 -11.851
    3   3H    ALA   1          2H        ALA   1  14.680 -10.992 -13.386
    4    HA   ALA   1           HA       ALA   1  12.942  -9.344 -13.496
    5   1HB   ALA   1          2HB       ALA   1  12.324 -11.604 -12.728
    6   2HB   ALA   1          1HB       ALA   1  12.724 -11.191 -11.039
    7   3HB   ALA   1          3HB       ALA   1  11.368 -10.385 -11.863
    8    HA   PRO   2           HA       PRO   2  14.208  -5.880 -10.639
    9   1HB   PRO   2          1HB       PRO   2  11.707  -4.611 -11.891
   10   2HB   PRO   2          2HB       PRO   2  13.297  -3.882 -11.579
   11   1HG   PRO   2          2HG       PRO   2  12.672  -4.713 -14.089
   12   2HG   PRO   2          1HG       PRO   2  14.297  -5.050 -13.446
   13   1HD   PRO   2          1HD       PRO   2  11.923  -6.986 -13.652
   14   2HD   PRO   2          2HD       PRO   2  13.656  -7.261 -14.002
   15    NH1  ARG   3           NH1      ARG   3  10.297  -3.816  -1.846
   16    NH2  ARG   3           NH2      ARG   3   9.539  -5.743  -0.909
   17    H    ARG   3           H        ARG   3  13.704  -5.485  -8.563
   18    HA   ARG   3           HA       ARG   3  11.169  -6.557  -7.366
   19   1HB   ARG   3          2HB       ARG   3  13.484  -7.004  -6.412
   20   2HB   ARG   3          1HB       ARG   3  13.600  -5.334  -5.904
   21   1HG   ARG   3          2HG       ARG   3  11.304  -7.229  -5.063
   22   2HG   ARG   3          1HG       ARG   3  12.846  -7.190  -4.224
   23   1HD   ARG   3          2HD       ARG   3  12.537  -4.832  -3.528
   24   2HD   ARG   3          1HD       ARG   3  11.050  -4.696  -4.472
   25    HE   ARG   3           HE       ARG   3  10.736  -6.930  -2.617
   26   1HH1  ARG   3          1HH1      ARG   3  10.853  -3.375  -2.586
   27   2HH1  ARG   3          2HH1      ARG   3   9.775  -3.341  -1.102
   28   1HH2  ARG   3          2HH2      ARG   3   9.515  -6.769  -0.931
   29   2HH2  ARG   3          1HH2      ARG   3   9.071  -5.132  -0.231
   30    H    LEU   4           H        LEU   4   9.524  -5.264  -7.484
   31    HA   LEU   4           HA       LEU   4   9.504  -2.343  -7.705
   32   1HB   LEU   4          1HB       LEU   4   7.223  -4.265  -7.003
   33   2HB   LEU   4          2HB       LEU   4   7.047  -2.563  -7.374
   34    HG   LEU   4           HG       LEU   4   8.087  -4.674  -9.347
   35   1HD1  LEU   4          3HD1      LEU   4   5.668  -4.915  -8.803
   36   2HD1  LEU   4          1HD1      LEU   4   5.377  -3.197  -9.157
   37   3HD1  LEU   4          2HD1      LEU   4   5.863  -4.310 -10.463
   38   1HD2  LEU   4          3HD2      LEU   4   7.486  -1.681  -9.844
   39   2HD2  LEU   4          2HD2      LEU   4   9.085  -2.457  -9.936
   40   3HD2  LEU   4          1HD2      LEU   4   7.829  -2.884 -11.108
   41    HA   PRO   5           HA       PRO   5   9.775  -1.274  -3.152
   42   1HB   PRO   5          1HB       PRO   5   8.407   1.221  -4.331
   43   2HB   PRO   5          2HB       PRO   5   9.706   1.139  -3.115
   44   1HG   PRO   5          2HG       PRO   5  10.350   1.730  -5.666
   45   2HG   PRO   5          1HG       PRO   5  11.355   0.540  -4.804
   46   1HD   PRO   5          1HD       PRO   5   9.116  -0.013  -6.836
   47   2HD   PRO   5          2HD       PRO   5  10.735  -0.767  -6.703
   48    H    GLN   6           H        GLN   6   8.196  -0.462  -1.474
   49    HA   GLN   6           HA       GLN   6   5.426  -1.591  -1.890
   50   1HB   GLN   6          1HB       GLN   6   6.785  -2.141   0.162
   51   2HB   GLN   6          2HB       GLN   6   6.680  -0.467   0.679
   52   1HG   GLN   6          2HG       GLN   6   5.045  -1.736   1.900
   53   2HG   GLN   6          1HG       GLN   6   4.154  -0.702   0.799
   54   1HE2  GLN   6          2HE2      GLN   6   2.338  -3.641  -0.190
   55   2HE2  GLN   6          1HE2      GLN   6   2.360  -1.861   0.253
   56    H    CYS   7           H        CYS   7   3.719  -0.424  -2.010
   57    HA   CYS   7           HA       CYS   7   3.806   2.345  -3.001
   58   1HB   CYS   7          1HB       CYS   7   1.379   0.630  -2.190
   59   2HB   CYS   7          2HB       CYS   7   1.246   2.225  -2.957
   60    H    GLN   8           H        GLN   8   2.930   4.218  -2.192
   61    HA   GLN   8           HA       GLN   8   2.649   4.469   0.862
   62   1HB   GLN   8          1HB       GLN   8   3.746   6.532  -1.151
   63   2HB   GLN   8          2HB       GLN   8   3.412   6.856   0.549
   64   1HG   GLN   8          1HG       GLN   8   5.085   5.105   1.256
   65   2HG   GLN   8          2HG       GLN   8   5.437   4.748  -0.427
   66   1HE2  GLN   8          2HE2      GLN   8   7.187   8.055   1.222
   67   2HE2  GLN   8          1HE2      GLN   8   5.975   7.034   2.151
   68    H    GLY   9           H        GLY   9   1.513   6.128  -2.150
   69   1HA   GLY   9          1HA       GLY   9  -1.287   5.996  -1.736
   70   2HA   GLY   9          2HA       GLY   9  -0.825   7.362  -0.716
   71    H    ASP  10           H        ASP  10  -1.177   6.231  -3.986
   72    HA   ASP  10           HA       ASP  10  -0.956   7.121  -6.094
   73   1HB   ASP  10          1HB       ASP  10  -1.257   9.877  -4.758
   74   2HB   ASP  10          2HB       ASP  10  -1.130   9.594  -6.483
   75    H    ASP  11           H        ASP  11   0.987   6.297  -6.505
   76    HA   ASP  11           HA       ASP  11   3.482   7.500  -5.360
   77   1HB   ASP  11          1HB       ASP  11   2.888   4.885  -6.917
   78   2HB   ASP  11          2HB       ASP  11   4.493   5.345  -6.412
   79    H    GLN  12           H        GLN  12   5.428   7.633  -6.564
   80    HA   GLN  12           HA       GLN  12   5.224   9.032  -9.232
   81   1HB   GLN  12          1HB       GLN  12   7.687   8.361  -7.501
   82   2HB   GLN  12          2HB       GLN  12   7.755   9.169  -9.064
   83   1HG   GLN  12          1HG       GLN  12   6.333  11.055  -8.206
   84   2HG   GLN  12          2HG       GLN  12   6.235  10.294  -6.627
   85   1HE2  GLN  12          2HE2      GLN  12   9.530  11.444  -5.677
   86   2HE2  GLN  12          1HE2      GLN  12   8.083  10.392  -5.257
   87    H    GLU  13           H        GLU  13   6.764   5.967  -8.042
   88    HA   GLU  13           HA       GLU  13   6.814   4.951 -10.929
   89   1HB   GLU  13          2HB       GLU  13   8.604   3.471 -10.296
   90   2HB   GLU  13          1HB       GLU  13   9.052   5.115  -9.959
   91   1HG   GLU  13          1HG       GLU  13   8.652   4.709  -7.473
   92   2HG   GLU  13          2HG       GLU  13   8.114   3.069  -7.821
   93    H    LYS  14           H        LYS  14   6.858   2.526 -10.916
   94    HA   LYS  14           HA       LYS  14   4.198   1.493 -10.044
   95   1HB   LYS  14          1HB       LYS  14   5.353   0.920 -12.265
   96   2HB   LYS  14          2HB       LYS  14   6.512  -0.065 -11.369
   97   1HG   LYS  14          2HG       LYS  14   4.567  -1.498 -10.530
   98   2HG   LYS  14          1HG       LYS  14   3.458  -0.469 -11.426
   99   1HD   LYS  14          2HD       LYS  14   4.668  -1.100 -13.590
  100   2HD   LYS  14          1HD       LYS  14   5.673  -2.216 -12.654
  101   1HE   LYS  14          2HE       LYS  14   3.553  -3.446 -11.907
  102   2HE   LYS  14          1HE       LYS  14   2.580  -2.341 -12.882
  103   1HZ   LYS  14          2HZ       LYS  14   4.689  -4.160 -13.945
  104   2HZ   LYS  14          3HZ       LYS  14   3.057  -4.387 -14.073
  105   3HZ   LYS  14          1HZ       LYS  14   3.779  -3.127 -14.860
  106    H    CYS  15           H        CYS  15   3.778   0.117  -8.377
  107    HA   CYS  15           HA       CYS  15   5.956  -0.846  -6.505
  108   1HB   CYS  15          1HB       CYS  15   5.079   0.539  -4.590
  109   2HB   CYS  15          2HB       CYS  15   5.647   1.575  -5.914
  110    H    LEU  16           H        LEU  16   5.033  -1.865  -4.586
  111    HA   LEU  16           HA       LEU  16   2.953  -3.898  -5.293
  112   1HB   LEU  16          2HB       LEU  16   4.546  -3.414  -2.699
  113   2HB   LEU  16          1HB       LEU  16   3.459  -4.756  -2.902
  114    HG   LEU  16           HG       LEU  16   5.890  -4.338  -4.742
  115   1HD1  LEU  16          2HD2      LEU  16   6.672  -4.504  -2.382
  116   2HD1  LEU  16          1HD2      LEU  16   5.732  -5.995  -2.140
  117   3HD1  LEU  16          3HD2      LEU  16   7.103  -5.969  -3.283
  118   1HD2  LEU  16          2HD1      LEU  16   4.130  -5.889  -5.661
  119   2HD2  LEU  16          1HD1      LEU  16   5.600  -6.785  -5.225
  120   3HD2  LEU  16          3HD1      LEU  16   4.170  -6.848  -4.162
  121    H    CYS  17           H        CYS  17   0.870  -3.563  -4.967
  122    HA   CYS  17           HA       CYS  17  -0.172  -1.640  -2.815
  123   1HB   CYS  17          1HB       CYS  17  -0.798  -1.426  -5.384
  124   2HB   CYS  17          2HB       CYS  17  -1.912  -2.776  -5.065
  125    H    ASN  18           H        ASN  18  -0.251  -2.861  -1.039
  126    HA   ASN  18           HA       ASN  18  -0.734  -4.508   0.541
  127   1HB   ASN  18          1HB       ASN  18  -3.033  -4.850  -0.189
  128   2HB   ASN  18          2HB       ASN  18  -2.546  -5.835  -1.540
  129   1HD2  ASN  18          1HD2      ASN  18  -2.190  -7.692   2.099
  130   2HD2  ASN  18          2HD2      ASN  18  -1.775  -5.913   1.821
  131    H    LYS  19           H        LYS  19  -0.697  -6.792  -2.015
  132    HA   LYS  19           HA       LYS  19   2.303  -6.861  -2.258
  133   1HB   LYS  19          2HB       LYS  19   2.589  -9.284  -1.841
  134   2HB   LYS  19          1HB       LYS  19   2.096  -8.407  -0.412
  135   1HG   LYS  19          1HG       LYS  19  -0.294  -9.228  -0.735
  136   2HG   LYS  19          2HG       LYS  19   0.227 -10.166  -2.133
  137   1HD   LYS  19          1HD       LYS  19   1.832 -11.469  -0.672
  138   2HD   LYS  19          2HD       LYS  19   1.319 -10.526   0.733
  139   1HE   LYS  19          2HE       LYS  19  -1.057 -11.386   0.449
  140   2HE   LYS  19          1HE       LYS  19  -0.549 -12.328  -0.961
  141   1HZ   LYS  19          3HZ       LYS  19   0.515 -12.679   1.802
  142   2HZ   LYS  19          2HZ       LYS  19  -0.564 -13.674   1.044
  143   3HZ   LYS  19          1HZ       LYS  19   0.985 -13.558   0.484
  144    H    ASP  20           H        ASP  20   0.527  -5.927  -4.040
  145    HA   ASP  20           HA       ASP  20   0.577  -7.914  -6.376
  146   1HB   ASP  20          2HB       ASP  20  -1.701  -5.988  -5.545
  147   2HB   ASP  20          1HB       ASP  20  -1.663  -6.925  -7.027
  148    H    GLU  21           H        GLU  21   1.666  -7.102  -8.047
  149    HA   GLU  21           HA       GLU  21   2.829  -4.494  -8.164
  150   1HB   GLU  21          1HB       GLU  21   3.606  -5.093 -10.386
  151   2HB   GLU  21          2HB       GLU  21   3.779  -6.430  -9.269
  152   1HG   GLU  21          1HG       GLU  21   1.743  -7.551 -10.327
  153   2HG   GLU  21          2HG       GLU  21   1.617  -6.215 -11.468
  154    H    CYS  22           H        CYS  22   2.168  -2.588  -8.750
  155    HA   CYS  22           HA       CYS  22  -0.485  -2.194 -10.222
  156   1HB   CYS  22          1HB       CYS  22  -0.809  -2.397  -7.726
  157   2HB   CYS  22          2HB       CYS  22   0.168  -0.925  -7.506
  158    HA   PRO  23           HA       PRO  23   2.075   1.162 -12.132
  159   1HB   PRO  23          1HB       PRO  23  -0.727   2.129 -12.943
  160   2HB   PRO  23          2HB       PRO  23   0.746   2.053 -13.930
  161   1HG   PRO  23          2HG       PRO  23  -1.088   0.100 -14.220
  162   2HG   PRO  23          1HG       PRO  23   0.628  -0.361 -14.106
  163   1HD   PRO  23          1HD       PRO  23  -1.493  -0.465 -11.880
  164   2HD   PRO  23          2HD       PRO  23  -0.251  -1.678 -12.339
  165    HA   PRO  24           HA       PRO  24   2.000   4.610  -9.240
  166   1HB   PRO  24          1HB       PRO  24   2.783   6.823 -10.822
  167   2HB   PRO  24          2HB       PRO  24   3.830   5.551 -10.191
  168   1HG   PRO  24          2HG       PRO  24   2.593   5.761 -12.969
  169   2HG   PRO  24          1HG       PRO  24   4.274   5.353 -12.542
  170   1HD   PRO  24          2HD       PRO  24   2.454   3.403 -13.172
  171   2HD   PRO  24          1HD       PRO  24   3.668   3.108 -11.900
  172    H    GLY  25           H        GLY  25   0.443   5.754  -8.307
  173   1HA   GLY  25          1HA       GLY  25  -1.374   7.476  -8.241
  174   2HA   GLY  25          2HA       GLY  25  -1.736   7.211  -9.910
  175    H    GLN  26           H        GLN  26  -2.054   4.494 -10.095
  176    HA   GLN  26           HA       GLN  26  -4.798   4.113  -9.244
  177   1HB   GLN  26          1HB       GLN  26  -2.763   2.022 -10.265
  178   2HB   GLN  26          2HB       GLN  26  -4.486   1.738 -10.121
  179   1HG   GLN  26          2HG       GLN  26  -4.901   3.744 -11.690
  180   2HG   GLN  26          1HG       GLN  26  -3.171   3.779 -11.997
  181   1HE2  GLN  26          2HE2      GLN  26  -5.297   1.217 -14.192
  182   2HE2  GLN  26          1HE2      GLN  26  -5.958   2.648 -13.249
  183    H    CYS  27           H        CYS  27  -1.970   3.228  -7.306
  184    HA   CYS  27           HA       CYS  27  -3.331   1.133  -5.726
  185   1HB   CYS  27          1HB       CYS  27  -0.855   1.260  -5.874
  186   2HB   CYS  27          2HB       CYS  27  -0.854   2.791  -4.963
  187    NH1  ARG  28           NH1      ARG  28  -6.234   7.269  -6.928
  188    NH2  ARG  28           NH2      ARG  28  -7.298   6.434  -8.753
  189    H    ARG  28           H        ARG  28  -5.046   1.566  -4.572
  190    HA   ARG  28           HA       ARG  28  -5.480   4.212  -3.140
  191   1HB   ARG  28          1HB       ARG  28  -7.441   1.888  -3.648
  192   2HB   ARG  28          2HB       ARG  28  -7.849   3.465  -2.995
  193   1HG   ARG  28          2HG       ARG  28  -6.970   2.820  -5.841
  194   2HG   ARG  28          1HG       ARG  28  -8.568   3.295  -5.295
  195   1HD   ARG  28          2HD       ARG  28  -7.726   5.608  -4.717
  196   2HD   ARG  28          1HD       ARG  28  -6.079   5.129  -5.187
  197    HE   ARG  28           HE       ARG  28  -8.064   4.624  -7.343
  198   1HH1  ARG  28          2HH1      ARG  28  -6.009   7.160  -5.933
  199   2HH1  ARG  28          1HH1      ARG  28  -5.936   8.033  -7.546
  200   1HH2  ARG  28          1HH2      ARG  28  -7.883   5.692  -9.153
  201   2HH2  ARG  28          2HH2      ARG  28  -6.926   7.255  -9.243
  202    H    PHE  29           H        PHE  29  -6.169   4.287  -0.999
  203    HA   PHE  29           HA       PHE  29  -5.211   1.958   0.786
  204   1HB   PHE  29          2HB       PHE  29  -4.496   4.944   0.921
  205   2HB   PHE  29          1HB       PHE  29  -4.383   3.905   2.311
  206    HD1  PHE  29           HD1      PHE  29  -3.092   4.222  -1.239
  207    HD2  PHE  29           HD2      PHE  29  -2.509   2.427   2.632
  208    HE1  PHE  29           HE1      PHE  29  -0.955   3.275  -1.988
  209    HE2  PHE  29           HE2      PHE  29  -0.353   1.524   1.872
  210    HZ   PHE  29           HZ       PHE  29   0.406   1.918  -0.439
  211    HA   PRO  30           HA       PRO  30  -9.475   3.152   2.355
  212   1HB   PRO  30          1HB       PRO  30 -10.466   0.612   2.810
  213   2HB   PRO  30          2HB       PRO  30 -10.431   1.369   1.216
  214   1HG   PRO  30          1HG       PRO  30  -8.377  -0.589   2.379
  215   2HG   PRO  30          2HG       PRO  30  -9.208  -0.717   0.821
  216   1HD   PRO  30          1HD       PRO  30  -6.681   0.357   1.056
  217   2HD   PRO  30          2HD       PRO  30  -7.817   1.039  -0.135
  218    NH1  ARG  31           NH1      ARG  31 -13.072   8.392   7.336
  219    NH2  ARG  31           NH2      ARG  31 -12.283   8.740   5.232
  220    H    ARG  31           H        ARG  31 -10.190   3.289   4.409
  221    HA   ARG  31           HA       ARG  31  -8.135   3.166   6.487
  222   1HB   ARG  31          2HB       ARG  31  -9.603   4.579   7.777
  223   2HB   ARG  31          1HB       ARG  31  -9.591   5.117   6.120
  224   1HG   ARG  31          1HG       ARG  31 -11.882   3.954   5.779
  225   2HG   ARG  31          2HG       ARG  31 -11.845   3.495   7.472
  226   1HD   ARG  31          2HD       ARG  31 -13.233   5.431   7.364
  227   2HD   ARG  31          1HD       ARG  31 -11.734   5.962   8.133
  228    HE   ARG  31           HE       ARG  31 -11.572   6.448   5.226
  229   1HH1  ARG  31          2HH1      ARG  31 -13.200   7.735   8.114
  230   2HH1  ARG  31          1HH1      ARG  31 -13.364   9.375   7.308
  231   1HH2  ARG  31          2HH2      ARG  31 -11.813   8.353   4.407
  232   2HH2  ARG  31          1HH2      ARG  31 -12.630   9.698   5.349
  233    H    GLY  32           H        GLY  32  -8.912   2.773   8.837
  234   1HA   GLY  32          1HA       GLY  32  -9.702   1.362  10.574
  235   2HA   GLY  32          2HA       GLY  32 -10.816   0.634   9.439
  236    H    ASP  33           H        ASP  33 -10.401  -1.400   8.869
  237    HA   ASP  33           HA       ASP  33  -7.566  -2.516   8.864
  238   1HB   ASP  33          2HB       ASP  33  -8.724  -3.306  10.995
  239   2HB   ASP  33          1HB       ASP  33  -9.946  -4.108  10.023
  240    H    ALA  34           H        ALA  34  -8.113  -1.599   6.704
  241    HA   ALA  34           HA       ALA  34  -9.077  -3.870   4.898
  242   1HB   ALA  34          3HB       ALA  34  -9.690  -0.866   4.510
  243   2HB   ALA  34          2HB       ALA  34 -10.087  -2.174   3.365
  244   3HB   ALA  34          1HB       ALA  34 -10.859  -2.133   4.962
  245    H    ASP  35           H        ASP  35  -7.719  -4.350   3.416
  246    HA   ASP  35           HA       ASP  35  -4.962  -3.226   3.484
  247   1HB   ASP  35          1HB       ASP  35  -6.011  -5.585   1.824
  248   2HB   ASP  35          2HB       ASP  35  -4.345  -5.102   1.952
  249    HA   PRO  36           HA       PRO  36  -5.081  -0.596  -0.122
  250   1HB   PRO  36          2HB       PRO  36  -2.321  -1.485  -0.989
  251   2HB   PRO  36          1HB       PRO  36  -2.905   0.126  -0.565
  252   1HG   PRO  36          2HG       PRO  36  -1.328  -1.331   1.160
  253   2HG   PRO  36          1HG       PRO  36  -2.618  -0.266   1.763
  254   1HD   PRO  36          1HD       PRO  36  -2.719  -3.313   1.510
  255   2HD   PRO  36          2HD       PRO  36  -3.297  -2.261   2.789
  256    OH   TYR  37           OH       TYR  37 -10.916   2.273  -3.549
  257    H    TYR  37           H        TYR  37  -6.165  -0.833  -1.968
  258    HA   TYR  37           HA       TYR  37  -5.860  -3.386  -3.634
  259   1HB   TYR  37          2HB       TYR  37  -8.088  -3.133  -4.430
  260   2HB   TYR  37          1HB       TYR  37  -8.083  -3.144  -2.699
  261    HD1  TYR  37           HD1      TYR  37  -8.717  -1.047  -5.709
  262    HD2  TYR  37           HD2      TYR  37  -8.786  -1.110  -1.413
  263    HE1  TYR  37           HE1      TYR  37 -10.034   1.024  -5.696
  264    HE2  TYR  37           HE2      TYR  37 -10.117   0.953  -1.403
  265    HH   TYR  37           HH       TYR  37 -11.062   2.553  -4.456
  266    H    CYS  38           H        CYS  38  -5.403  -3.311  -5.737
  267    HA   CYS  38           HA       CYS  38  -4.443  -0.737  -6.987
  268   1HB   CYS  38          1HB       CYS  38  -3.155  -2.898  -7.238
  269   2HB   CYS  38          2HB       CYS  38  -4.472  -3.544  -8.248
  270    H    GLU  39           H        GLU  39  -5.888   0.531  -7.908
  271    HA   GLU  39           HA       GLU  39  -8.607  -0.437  -8.784
  272   1HB   GLU  39          1HB       GLU  39  -8.300   1.599  -7.350
  273   2HB   GLU  39          2HB       GLU  39  -7.431   2.414  -8.646
  274   1HG   GLU  39          2HG       GLU  39  -9.508   2.257 -10.105
  275   2HG   GLU  39          1HG       GLU  39 -10.361   1.439  -8.795
   
  Start of MODEL          24
 Raw file had 275 H/Q atoms
  Start of MODEL   24
    1   1H    ALA   1          3H        ALA   1   9.786 -10.946 -14.269
    2   2H    ALA   1          2H        ALA   1  11.163 -11.493 -13.538
    3   3H    ALA   1          1H        ALA   1   9.865 -12.500 -13.711
    4    HA   ALA   1           HA       ALA   1   8.520 -11.186 -12.223
    5   1HB   ALA   1          2HB       ALA   1   9.795 -13.079 -11.261
    6   2HB   ALA   1          3HB       ALA   1  11.228 -12.049 -11.012
    7   3HB   ALA   1          1HB       ALA   1   9.732 -11.740 -10.098
    8    HA   PRO   2           HA       PRO   2  10.423  -6.930 -12.389
    9   1HB   PRO   2          1HB       PRO   2   8.200  -5.398 -11.791
   10   2HB   PRO   2          2HB       PRO   2   8.450  -6.198 -13.345
   11   1HG   PRO   2          1HG       PRO   2   6.751  -7.180 -10.999
   12   2HG   PRO   2          2HG       PRO   2   6.302  -7.103 -12.719
   13   1HD   PRO   2          1HD       PRO   2   7.215  -9.435 -11.517
   14   2HD   PRO   2          2HD       PRO   2   7.557  -9.082 -13.238
   15    NH1  ARG   3           NH1      ARG   3  16.077  -9.441  -7.152
   16    NH2  ARG   3           NH2      ARG   3  15.658 -11.356  -8.301
   17    H    ARG   3           H        ARG   3  11.640  -5.995 -10.871
   18    HA   ARG   3           HA       ARG   3  11.217  -6.581  -7.954
   19   1HB   ARG   3          1HB       ARG   3  13.553  -5.230  -9.432
   20   2HB   ARG   3          2HB       ARG   3  13.519  -5.603  -7.729
   21   1HG   ARG   3          2HG       ARG   3  13.443  -7.673 -10.006
   22   2HG   ARG   3          1HG       ARG   3  14.850  -7.222  -9.058
   23   1HD   ARG   3          1HD       ARG   3  13.714  -8.116  -6.943
   24   2HD   ARG   3          2HD       ARG   3  12.328  -8.588  -7.914
   25    HE   ARG   3           HE       ARG   3  13.533 -10.423  -8.896
   26   1HH1  ARG   3          1HH1      ARG   3  15.743  -8.515  -6.863
   27   2HH1  ARG   3          2HH1      ARG   3  16.979  -9.869  -6.917
   28   1HH2  ARG   3          1HH2      ARG   3  15.009 -11.893  -8.887
   29   2HH2  ARG   3          2HH2      ARG   3  16.589 -11.651  -7.987
   30    H    LEU   4           H        LEU   4   9.539  -5.303  -7.368
   31    HA   LEU   4           HA       LEU   4   9.510  -2.347  -7.961
   32   1HB   LEU   4          1HB       LEU   4   7.308  -4.258  -7.033
   33   2HB   LEU   4          2HB       LEU   4   7.112  -2.568  -7.446
   34    HG   LEU   4           HG       LEU   4   7.991  -4.748  -9.419
   35   1HD1  LEU   4          3HD1      LEU   4   5.632  -4.978  -8.644
   36   2HD1  LEU   4          2HD1      LEU   4   5.287  -3.296  -9.124
   37   3HD1  LEU   4          1HD1      LEU   4   5.720  -4.516 -10.356
   38   1HD2  LEU   4          1HD2      LEU   4   7.318  -1.789 -10.000
   39   2HD2  LEU   4          3HD2      LEU   4   8.917  -2.552 -10.171
   40   3HD2  LEU   4          2HD2      LEU   4   7.584  -3.047 -11.226
   41    HA   PRO   5           HA       PRO   5   9.976  -1.265  -3.418
   42   1HB   PRO   5          1HB       PRO   5   8.508   1.202  -4.528
   43   2HB   PRO   5          2HB       PRO   5   9.878   1.140  -3.395
   44   1HG   PRO   5          2HG       PRO   5  10.332   1.761  -5.992
   45   2HG   PRO   5          1HG       PRO   5  11.437   0.620  -5.183
   46   1HD   PRO   5          1HD       PRO   5   9.110  -0.039  -7.077
   47   2HD   PRO   5          2HD       PRO   5  10.765  -0.721  -7.040
   48    H    GLN   6           H        GLN   6   8.395  -0.403  -1.727
   49    HA   GLN   6           HA       GLN   6   5.651  -1.631  -2.034
   50   1HB   GLN   6          1HB       GLN   6   7.089  -2.136  -0.031
   51   2HB   GLN   6          2HB       GLN   6   7.007  -0.453   0.462
   52   1HG   GLN   6          2HG       GLN   6   5.454  -1.726   1.787
   53   2HG   GLN   6          1HG       GLN   6   4.508  -0.676   0.748
   54   1HE2  GLN   6          2HE2      GLN   6   2.606  -3.573  -0.184
   55   2HE2  GLN   6          1HE2      GLN   6   2.690  -1.785   0.218
   56    H    CYS   7           H        CYS   7   3.885  -0.504  -2.015
   57    HA   CYS   7           HA       CYS   7   3.889   2.220  -3.113
   58   1HB   CYS   7          1HB       CYS   7   1.530   0.485  -2.165
   59   2HB   CYS   7          2HB       CYS   7   1.329   2.054  -2.963
   60    H    GLN   8           H        GLN   8   2.781   4.061  -2.390
   61    HA   GLN   8           HA       GLN   8   2.718   4.503   0.639
   62   1HB   GLN   8          1HB       GLN   8   3.382   6.792   0.336
   63   2HB   GLN   8          2HB       GLN   8   4.517   5.746  -0.497
   64   1HG   GLN   8          2HG       GLN   8   3.213   6.335  -2.709
   65   2HG   GLN   8          1HG       GLN   8   2.369   7.549  -1.778
   66   1HE2  GLN   8          2HE2      GLN   8   6.064   8.474  -3.130
   67   2HE2  GLN   8          1HE2      GLN   8   5.189   6.919  -3.562
   68    H    GLY   9           H        GLY   9   0.928   5.315  -2.346
   69   1HA   GLY   9          1HA       GLY   9  -1.713   5.359  -1.880
   70   2HA   GLY   9          2HA       GLY   9  -1.324   6.574  -0.661
   71    H    ASP  10           H        ASP  10  -1.521   5.893  -4.038
   72    HA   ASP  10           HA       ASP  10  -1.410   7.110  -6.000
   73   1HB   ASP  10          1HB       ASP  10  -2.905   8.802  -4.833
   74   2HB   ASP  10          2HB       ASP  10  -1.474   9.746  -4.424
   75    H    ASP  11           H        ASP  11   0.512   6.290  -6.532
   76    HA   ASP  11           HA       ASP  11   3.049   7.251  -5.271
   77   1HB   ASP  11          1HB       ASP  11   2.273   4.845  -7.060
   78   2HB   ASP  11          2HB       ASP  11   3.940   5.199  -6.687
   79    H    GLN  12           H        GLN  12   4.927   7.646  -6.318
   80    HA   GLN  12           HA       GLN  12   4.899   9.042  -9.001
   81   1HB   GLN  12          1HB       GLN  12   7.220   8.476  -7.046
   82   2HB   GLN  12          2HB       GLN  12   7.393   9.298  -8.594
   83   1HG   GLN  12          1HG       GLN  12   5.843  11.125  -7.866
   84   2HG   GLN  12          2HG       GLN  12   5.603  10.347  -6.311
   85   1HE2  GLN  12          2HE2      GLN  12   8.746  11.568  -5.005
   86   2HE2  GLN  12          1HE2      GLN  12   7.296  10.469  -4.754
   87    H    GLU  13           H        GLU  13   6.238   5.981  -7.636
   88    HA   GLU  13           HA       GLU  13   6.919   5.059 -10.494
   89   1HB   GLU  13          1HB       GLU  13   8.217   4.126  -7.853
   90   2HB   GLU  13          2HB       GLU  13   8.626   3.558  -9.456
   91   1HG   GLU  13          1HG       GLU  13   9.108   6.422  -8.442
   92   2HG   GLU  13          2HG       GLU  13  10.304   5.150  -8.581
   93    H    LYS  14           H        LYS  14   6.964   2.678 -10.684
   94    HA   LYS  14           HA       LYS  14   4.283   1.518 -10.046
   95   1HB   LYS  14          1HB       LYS  14   5.464   1.226 -12.267
   96   2HB   LYS  14          2HB       LYS  14   6.684   0.218 -11.484
   97   1HG   LYS  14          2HG       LYS  14   4.962  -1.492 -10.911
   98   2HG   LYS  14          1HG       LYS  14   3.672  -0.432 -11.462
   99   1HD   LYS  14          1HD       LYS  14   4.638  -0.462 -13.803
  100   2HD   LYS  14          2HD       LYS  14   5.876  -1.596 -13.285
  101   1HE   LYS  14          1HE       LYS  14   2.823  -2.144 -13.112
  102   2HE   LYS  14          2HE       LYS  14   3.827  -2.587 -14.491
  103   1HZ   LYS  14          1HZ       LYS  14   5.155  -4.009 -13.033
  104   2HZ   LYS  14          3HZ       LYS  14   4.226  -3.610 -11.727
  105   3HZ   LYS  14          2HZ       LYS  14   3.562  -4.445 -12.989
  106    H    CYS  15           H        CYS  15   3.844   0.079  -8.434
  107    HA   CYS  15           HA       CYS  15   6.036  -0.898  -6.573
  108   1HB   CYS  15          1HB       CYS  15   5.148   0.455  -4.670
  109   2HB   CYS  15          2HB       CYS  15   5.653   1.518  -5.997
  110    H    LEU  16           H        LEU  16   5.118  -1.894  -4.639
  111    HA   LEU  16           HA       LEU  16   3.073  -3.990  -5.326
  112   1HB   LEU  16          1HB       LEU  16   4.715  -3.457  -2.768
  113   2HB   LEU  16          2HB       LEU  16   3.633  -4.811  -2.927
  114    HG   LEU  16           HG       LEU  16   6.040  -4.393  -4.801
  115   1HD1  LEU  16          1HD2      LEU  16   6.828  -4.565  -2.443
  116   2HD1  LEU  16          2HD2      LEU  16   5.887  -6.056  -2.201
  117   3HD1  LEU  16          3HD2      LEU  16   7.255  -6.031  -3.347
  118   1HD2  LEU  16          2HD1      LEU  16   4.313  -6.899  -4.225
  119   2HD2  LEU  16          3HD1      LEU  16   4.285  -5.940  -5.724
  120   3HD2  LEU  16          1HD1      LEU  16   5.748  -6.844  -5.283
  121    H    CYS  17           H        CYS  17   0.983  -3.550  -5.047
  122    HA   CYS  17           HA       CYS  17  -0.003  -1.579  -2.929
  123   1HB   CYS  17          1HB       CYS  17  -0.709  -1.468  -5.462
  124   2HB   CYS  17          2HB       CYS  17  -1.799  -2.821  -5.076
  125    H    ASN  18           H        ASN  18   0.070  -2.731  -1.118
  126    HA   ASN  18           HA       ASN  18  -0.382  -4.269   0.581
  127   1HB   ASN  18          1HB       ASN  18  -2.728  -4.650  -0.280
  128   2HB   ASN  18          2HB       ASN  18  -2.141  -5.930  -1.303
  129   1HD2  ASN  18          1HD2      ASN  18  -3.283  -7.899   1.450
  130   2HD2  ASN  18          2HD2      ASN  18  -3.939  -6.766   0.151
  131    H    LYS  19           H        LYS  19  -0.505  -6.675  -1.924
  132    HA   LYS  19           HA       LYS  19   2.492  -6.864  -2.231
  133   1HB   LYS  19          1HB       LYS  19   2.653  -9.278  -1.751
  134   2HB   LYS  19          2HB       LYS  19   2.173  -8.356  -0.349
  135   1HG   LYS  19          1HG       LYS  19  -0.289  -9.108  -0.781
  136   2HG   LYS  19          2HG       LYS  19   0.321 -10.111  -2.084
  137   1HD   LYS  19          1HD       LYS  19   0.064 -11.567  -0.238
  138   2HD   LYS  19          2HD       LYS  19   1.803 -11.352  -0.409
  139   1HE   LYS  19          2HE       LYS  19   1.768  -9.668   1.516
  140   2HE   LYS  19          1HE       LYS  19   0.014  -9.853   1.643
  141   1HZ   LYS  19          3HZ       LYS  19   0.364 -12.214   2.165
  142   2HZ   LYS  19          1HZ       LYS  19   2.003 -12.037   2.047
  143   3HZ   LYS  19          2HZ       LYS  19   1.170 -11.249   3.237
  144    H    ASP  20           H        ASP  20   0.628  -5.881  -4.022
  145    HA   ASP  20           HA       ASP  20   0.632  -7.925  -6.309
  146   1HB   ASP  20          2HB       ASP  20  -1.641  -6.013  -5.437
  147   2HB   ASP  20          1HB       ASP  20  -1.634  -6.949  -6.921
  148    H    GLU  21           H        GLU  21   1.704  -7.144  -8.001
  149    HA   GLU  21           HA       GLU  21   2.842  -4.540  -8.210
  150   1HB   GLU  21          1HB       GLU  21   3.524  -5.174 -10.470
  151   2HB   GLU  21          2HB       GLU  21   3.792  -6.460  -9.309
  152   1HG   GLU  21          1HG       GLU  21   1.765  -7.696 -10.227
  153   2HG   GLU  21          2HG       GLU  21   1.516  -6.404 -11.399
  154    H    CYS  22           H        CYS  22   2.205  -2.653  -8.853
  155    HA   CYS  22           HA       CYS  22  -0.456  -2.243 -10.302
  156   1HB   CYS  22          1HB       CYS  22  -0.784  -2.410  -7.803
  157   2HB   CYS  22          2HB       CYS  22   0.233  -0.962  -7.598
  158    HA   PRO  23           HA       PRO  23   2.148   1.085 -12.225
  159   1HB   PRO  23          1HB       PRO  23  -0.633   2.103 -13.042
  160   2HB   PRO  23          2HB       PRO  23   0.836   1.973 -14.030
  161   1HG   PRO  23          2HG       PRO  23  -1.070   0.079 -14.289
  162   2HG   PRO  23          1HG       PRO  23   0.633  -0.434 -14.194
  163   1HD   PRO  23          1HD       PRO  23  -1.461  -0.456 -11.941
  164   2HD   PRO  23          2HD       PRO  23  -0.273  -1.716 -12.413
  165    HA   PRO  24           HA       PRO  24   2.028   4.545  -9.328
  166   1HB   PRO  24          2HB       PRO  24   2.916   6.740 -10.854
  167   2HB   PRO  24          1HB       PRO  24   3.915   5.423 -10.241
  168   1HG   PRO  24          2HG       PRO  24   2.711   5.697 -13.031
  169   2HG   PRO  24          1HG       PRO  24   4.386   5.271 -12.593
  170   1HD   PRO  24          2HD       PRO  24   2.560   3.334 -13.253
  171   2HD   PRO  24          1HD       PRO  24   3.756   3.027 -11.966
  172    H    GLY  25           H        GLY  25   0.521   5.781  -8.456
  173   1HA   GLY  25          1HA       GLY  25  -1.241   7.560  -8.491
  174   2HA   GLY  25          2HA       GLY  25  -1.659   7.165 -10.138
  175    H    GLN  26           H        GLN  26  -1.992   4.427 -10.056
  176    HA   GLN  26           HA       GLN  26  -4.731   4.295  -9.058
  177   1HB   GLN  26          2HB       GLN  26  -2.979   2.032 -10.211
  178   2HB   GLN  26          1HB       GLN  26  -4.703   1.923  -9.958
  179   1HG   GLN  26          2HG       GLN  26  -5.034   3.940 -11.518
  180   2HG   GLN  26          1HG       GLN  26  -3.325   3.873 -11.907
  181   1HE2  GLN  26          2HE2      GLN  26  -3.756   0.757 -13.848
  182   2HE2  GLN  26          1HE2      GLN  26  -2.606   1.511 -12.631
  183    H    CYS  27           H        CYS  27  -1.874   3.305  -7.262
  184    HA   CYS  27           HA       CYS  27  -3.231   1.215  -5.663
  185   1HB   CYS  27          1HB       CYS  27  -0.760   1.254  -5.906
  186   2HB   CYS  27          2HB       CYS  27  -0.670   2.763  -4.964
  187    NH1  ARG  28           NH1      ARG  28  -5.607   7.833  -6.227
  188    NH2  ARG  28           NH2      ARG  28  -6.723   7.312  -8.138
  189    H    ARG  28           H        ARG  28  -4.848   1.660  -4.392
  190    HA   ARG  28           HA       ARG  28  -5.100   4.300  -2.870
  191   1HB   ARG  28          1HB       ARG  28  -7.235   2.201  -3.610
  192   2HB   ARG  28          2HB       ARG  28  -7.537   3.717  -2.784
  193   1HG   ARG  28          2HG       ARG  28  -6.662   3.338  -5.680
  194   2HG   ARG  28          1HG       ARG  28  -8.230   3.861  -5.098
  195   1HD   ARG  28          2HD       ARG  28  -7.225   6.025  -4.244
  196   2HD   ARG  28          1HD       ARG  28  -5.615   5.483  -4.767
  197    HE   ARG  28           HE       ARG  28  -7.598   5.384  -6.975
  198   1HH1  ARG  28          1HH1      ARG  28  -5.391   7.582  -5.256
  199   2HH1  ARG  28          2HH1      ARG  28  -5.259   8.648  -6.744
  200   1HH2  ARG  28          2HH2      ARG  28  -7.356   6.668  -8.625
  201   2HH2  ARG  28          1HH2      ARG  28  -6.297   8.164  -8.521
  202    H    PHE  29           H        PHE  29  -5.402   4.327  -0.725
  203    HA   PHE  29           HA       PHE  29  -5.033   1.703   0.855
  204   1HB   PHE  29          1HB       PHE  29  -3.909   4.518   1.327
  205   2HB   PHE  29          2HB       PHE  29  -4.048   3.360   2.612
  206    HD1  PHE  29           HD1      PHE  29  -2.649   3.457  -0.949
  207    HD2  PHE  29           HD2      PHE  29  -2.162   2.026   3.085
  208    HE1  PHE  29           HE1      PHE  29  -0.483   2.497  -1.542
  209    HE2  PHE  29           HE2      PHE  29   0.024   1.087   2.468
  210    HZ   PHE  29           HZ       PHE  29   0.871   1.333   0.156
  211    HA   PRO  30           HA       PRO  30  -9.146   3.403   2.368
  212   1HB   PRO  30          1HB       PRO  30 -10.488   1.015   2.729
  213   2HB   PRO  30          2HB       PRO  30 -10.268   1.778   1.151
  214   1HG   PRO  30          1HG       PRO  30  -8.582  -0.464   2.374
  215   2HG   PRO  30          2HG       PRO  30  -9.314  -0.431   0.763
  216   1HD   PRO  30          1HD       PRO  30  -6.681   0.254   1.233
  217   2HD   PRO  30          2HD       PRO  30  -7.609   1.081  -0.050
  218    NH1  ARG  31           NH1      ARG  31 -13.856   8.065   7.739
  219    NH2  ARG  31           NH2      ARG  31 -15.604   6.720   7.181
  220    H    ARG  31           H        ARG  31  -9.992   3.577   4.382
  221    HA   ARG  31           HA       ARG  31  -8.069   3.340   6.537
  222   1HB   ARG  31          2HB       ARG  31  -9.574   4.752   7.804
  223   2HB   ARG  31          1HB       ARG  31  -9.467   5.325   6.162
  224   1HG   ARG  31          2HG       ARG  31 -11.737   4.272   5.655
  225   2HG   ARG  31          1HG       ARG  31 -11.832   3.709   7.326
  226   1HD   ARG  31          1HD       ARG  31 -11.718   6.106   8.148
  227   2HD   ARG  31          2HD       ARG  31 -11.615   6.674   6.470
  228    HE   ARG  31           HE       ARG  31 -13.998   5.003   6.697
  229   1HH1  ARG  31          2HH1      ARG  31 -12.840   8.168   7.835
  230   2HH1  ARG  31          1HH1      ARG  31 -14.567   8.777   7.937
  231   1HH2  ARG  31          1HH2      ARG  31 -15.921   5.802   6.852
  232   2HH2  ARG  31          2HH2      ARG  31 -16.193   7.526   7.418
  233    H    GLY  32           H        GLY  32  -8.801   2.911   8.834
  234   1HA   GLY  32          1HA       GLY  32  -9.637   1.531  10.573
  235   2HA   GLY  32          2HA       GLY  32 -10.825   0.894   9.458
  236    H    ASP  33           H        ASP  33 -10.565  -1.157   8.867
  237    HA   ASP  33           HA       ASP  33  -7.816  -2.468   8.784
  238   1HB   ASP  33          2HB       ASP  33  -8.989  -3.210  10.927
  239   2HB   ASP  33          1HB       ASP  33 -10.284  -3.902   9.966
  240    H    ALA  34           H        ALA  34  -8.343  -1.473   6.642
  241    HA   ALA  34           HA       ALA  34  -9.520  -3.638   4.832
  242   1HB   ALA  34          1HB       ALA  34  -9.854  -0.585   4.477
  243   2HB   ALA  34          2HB       ALA  34 -10.396  -1.843   3.335
  244   3HB   ALA  34          3HB       ALA  34 -11.129  -1.739   4.947
  245    H    ASP  35           H        ASP  35  -8.251  -4.218   3.318
  246    HA   ASP  35           HA       ASP  35  -5.396  -3.491   3.418
  247   1HB   ASP  35          1HB       ASP  35  -6.824  -5.524   1.624
  248   2HB   ASP  35          2HB       ASP  35  -5.093  -5.312   1.669
  249    HA   PRO  36           HA       PRO  36  -5.087  -0.639  -0.051
  250   1HB   PRO  36          2HB       PRO  36  -2.371  -1.715  -0.797
  251   2HB   PRO  36          1HB       PRO  36  -2.837  -0.097  -0.273
  252   1HG   PRO  36          1HG       PRO  36  -1.492  -1.831   1.401
  253   2HG   PRO  36          2HG       PRO  36  -2.698  -0.684   2.026
  254   1HD   PRO  36          1HD       PRO  36  -3.104  -3.679   1.524
  255   2HD   PRO  36          2HD       PRO  36  -3.605  -2.715   2.855
  256    OH   TYR  37           OH       TYR  37 -10.606   2.685  -3.514
  257    H    TYR  37           H        TYR  37  -6.102  -0.756  -1.947
  258    HA   TYR  37           HA       TYR  37  -5.906  -3.283  -3.666
  259   1HB   TYR  37          2HB       TYR  37  -8.091  -2.853  -4.517
  260   2HB   TYR  37          1HB       TYR  37  -8.132  -2.920  -2.787
  261    HD1  TYR  37           HD1      TYR  37  -8.580  -0.706  -5.738
  262    HD2  TYR  37           HD2      TYR  37  -8.699  -0.869  -1.446
  263    HE1  TYR  37           HE1      TYR  37  -9.780   1.439  -5.686
  264    HE2  TYR  37           HE2      TYR  37  -9.901   1.268  -1.395
  265    HH   TYR  37           HH       TYR  37 -10.730   2.993  -4.414
  266    H    CYS  38           H        CYS  38  -5.391  -3.200  -5.743
  267    HA   CYS  38           HA       CYS  38  -4.348  -0.653  -7.000
  268   1HB   CYS  38          1HB       CYS  38  -3.131  -2.856  -7.283
  269   2HB   CYS  38          2HB       CYS  38  -4.490  -3.456  -8.266
  270    H    GLU  39           H        GLU  39  -5.687   0.627  -8.057
  271    HA   GLU  39           HA       GLU  39  -8.560  -0.081  -8.365
  272   1HB   GLU  39          2HB       GLU  39  -7.669   2.094  -7.424
  273   2HB   GLU  39          1HB       GLU  39  -7.095   2.553  -9.023
  274   1HG   GLU  39          2HG       GLU  39  -9.507   2.481  -9.867
  275   2HG   GLU  39          1HG       GLU  39 -10.046   1.999  -8.260
   
  Start of MODEL          25
 Raw file had 275 H/Q atoms
  Start of MODEL   25
    1   1H    ALA   1          3H        ALA   1  11.493  -9.654 -15.084
    2   2H    ALA   1          1H        ALA   1  12.947  -9.998 -14.380
    3   3H    ALA   1          2H        ALA   1  11.921 -11.224 -14.795
    4    HA   ALA   1           HA       ALA   1  10.284 -10.536 -13.181
    5   1HB   ALA   1          1HB       ALA   1  11.945 -12.234 -12.488
    6   2HB   ALA   1          2HB       ALA   1  13.099 -10.972 -11.989
    7   3HB   ALA   1          3HB       ALA   1  11.560 -11.173 -11.119
    8    HA   PRO   2           HA       PRO   2  11.194  -5.997 -12.557
    9   1HB   PRO   2          1HB       PRO   2   8.648  -5.086 -11.985
   10   2HB   PRO   2          2HB       PRO   2   9.193  -5.537 -13.603
   11   1HG   PRO   2          1HG       PRO   2   7.575  -7.234 -11.640
   12   2HG   PRO   2          2HG       PRO   2   7.260  -6.967 -13.371
   13   1HD   PRO   2          1HD       PRO   2   8.571  -9.225 -12.424
   14   2HD   PRO   2          2HD       PRO   2   8.968  -8.524 -14.023
   15    NH1  ARG   3           NH1      ARG   3  18.452  -7.549  -8.083
   16    NH2  ARG   3           NH2      ARG   3  17.912  -9.706  -8.562
   17    H    ARG   3           H        ARG   3  12.236  -5.352 -10.790
   18    HA   ARG   3           HA       ARG   3  11.491  -6.282  -8.021
   19   1HB   ARG   3          2HB       ARG   3  13.924  -4.743  -9.122
   20   2HB   ARG   3          1HB       ARG   3  13.669  -5.094  -7.425
   21   1HG   ARG   3          2HG       ARG   3  13.633  -7.569  -7.889
   22   2HG   ARG   3          1HG       ARG   3  13.889  -7.255  -9.608
   23   1HD   ARG   3          1HD       ARG   3  16.097  -6.119  -9.078
   24   2HD   ARG   3          2HD       ARG   3  15.844  -6.439  -7.352
   25    HE   ARG   3           HE       ARG   3  15.631  -8.985  -8.767
   26   1HH1  ARG   3          1HH1      ARG   3  18.127  -6.585  -7.952
   27   2HH1  ARG   3          2HH1      ARG   3  19.417  -7.889  -8.002
   28   1HH2  ARG   3          1HH2      ARG   3  17.180 -10.385  -8.796
   29   2HH2  ARG   3          2HH2      ARG   3  18.914  -9.895  -8.448
   30    H    LEU   4           H        LEU   4   9.661  -5.152  -7.550
   31    HA   LEU   4           HA       LEU   4   9.453  -2.199  -7.974
   32   1HB   LEU   4          1HB       LEU   4   7.381  -4.254  -7.051
   33   2HB   LEU   4          2HB       LEU   4   7.081  -2.569  -7.426
   34    HG   LEU   4           HG       LEU   4   8.019  -4.687  -9.444
   35   1HD1  LEU   4          3HD1      LEU   4   5.666  -4.974  -8.670
   36   2HD1  LEU   4          1HD1      LEU   4   5.293  -3.282  -9.084
   37   3HD1  LEU   4          2HD1      LEU   4   5.722  -4.448 -10.368
   38   1HD2  LEU   4          2HD2      LEU   4   7.295  -1.730  -9.975
   39   2HD2  LEU   4          3HD2      LEU   4   8.900  -2.471 -10.184
   40   3HD2  LEU   4          1HD2      LEU   4   7.558  -2.966 -11.225
   41    HA   PRO   5           HA       PRO   5   9.925  -1.187  -3.409
   42   1HB   PRO   5          1HB       PRO   5   8.414   1.268  -4.483
   43   2HB   PRO   5          2HB       PRO   5   9.787   1.214  -3.355
   44   1HG   PRO   5          2HG       PRO   5  10.223   1.886  -5.942
   45   2HG   PRO   5          1HG       PRO   5  11.352   0.756  -5.153
   46   1HD   PRO   5          1HD       PRO   5   9.030   0.077  -7.048
   47   2HD   PRO   5          2HD       PRO   5  10.701  -0.567  -7.034
   48    H    GLN   6           H        GLN   6   8.308  -0.381  -1.718
   49    HA   GLN   6           HA       GLN   6   5.571  -1.620  -2.103
   50   1HB   GLN   6          1HB       GLN   6   7.013  -2.157  -0.073
   51   2HB   GLN   6          2HB       GLN   6   6.824  -0.502   0.473
   52   1HG   GLN   6          2HG       GLN   6   5.268  -1.855   1.690
   53   2HG   GLN   6          1HG       GLN   6   4.305  -0.884   0.591
   54   1HE2  GLN   6          2HE2      GLN   6   2.659  -3.977  -0.225
   55   2HE2  GLN   6          1HE2      GLN   6   2.559  -2.230   0.328
   56    H    CYS   7           H        CYS   7   3.813  -0.486  -2.064
   57    HA   CYS   7           HA       CYS   7   3.823   2.296  -3.039
   58   1HB   CYS   7          1HB       CYS   7   1.455   0.524  -2.185
   59   2HB   CYS   7          2HB       CYS   7   1.273   2.126  -2.927
   60    H    GLN   8           H        GLN   8   2.990   4.140  -2.176
   61    HA   GLN   8           HA       GLN   8   2.799   4.356   0.887
   62   1HB   GLN   8          1HB       GLN   8   3.835   6.432  -1.144
   63   2HB   GLN   8          2HB       GLN   8   3.564   6.743   0.569
   64   1HG   GLN   8          1HG       GLN   8   5.250   5.008   1.211
   65   2HG   GLN   8          2HG       GLN   8   5.536   4.607  -0.472
   66   1HE2  GLN   8          2HE2      GLN   8   7.689   7.465  -0.990
   67   2HE2  GLN   8          1HE2      GLN   8   6.770   6.072  -1.757
   68    H    GLY   9           H        GLY   9   1.583   6.066  -2.065
   69   1HA   GLY   9          1HA       GLY   9  -1.212   5.930  -1.545
   70   2HA   GLY   9          2HA       GLY   9  -0.698   7.305  -0.563
   71    H    ASP  10           H        ASP  10  -1.182   6.129  -3.804
   72    HA   ASP  10           HA       ASP  10  -1.058   7.009  -5.937
   73   1HB   ASP  10          1HB       ASP  10  -1.340   9.774  -4.619
   74   2HB   ASP  10          2HB       ASP  10  -1.358   9.442  -6.342
   75    H    ASP  11           H        ASP  11   0.903   6.206  -6.372
   76    HA   ASP  11           HA       ASP  11   3.389   7.467  -5.316
   77   1HB   ASP  11          1HB       ASP  11   2.789   4.843  -6.855
   78   2HB   ASP  11          2HB       ASP  11   4.409   5.323  -6.409
   79    H    GLN  12           H        GLN  12   5.302   7.671  -6.527
   80    HA   GLN  12           HA       GLN  12   5.045   9.023  -9.219
   81   1HB   GLN  12          1HB       GLN  12   7.526   8.505  -7.459
   82   2HB   GLN  12          2HB       GLN  12   7.565   9.291  -9.035
   83   1HG   GLN  12          1HG       GLN  12   6.051  11.121  -8.220
   84   2HG   GLN  12          2HG       GLN  12   5.971  10.382  -6.629
   85   1HE2  GLN  12          2HE2      GLN  12   9.206  11.680  -5.664
   86   2HE2  GLN  12          1HE2      GLN  12   7.806  10.569  -5.246
   87    H    GLU  13           H        GLU  13   6.607   6.025  -7.948
   88    HA   GLU  13           HA       GLU  13   6.905   5.015 -10.840
   89   1HB   GLU  13          1HB       GLU  13   8.459   4.113  -8.327
   90   2HB   GLU  13          2HB       GLU  13   8.668   3.476  -9.943
   91   1HG   GLU  13          2HG       GLU  13   9.345   6.354  -9.097
   92   2HG   GLU  13          1HG       GLU  13  10.480   5.038  -9.324
   93    H    LYS  14           H        LYS  14   6.886   2.601 -10.933
   94    HA   LYS  14           HA       LYS  14   4.231   1.557 -10.095
   95   1HB   LYS  14          1HB       LYS  14   5.353   1.044 -12.322
   96   2HB   LYS  14          2HB       LYS  14   6.569   0.087 -11.473
   97   1HG   LYS  14          1HG       LYS  14   4.714  -1.454 -10.637
   98   2HG   LYS  14          2HG       LYS  14   3.537  -0.466 -11.497
   99   1HD   LYS  14          1HD       LYS  14   4.675  -1.016 -13.700
  100   2HD   LYS  14          2HD       LYS  14   5.868  -1.971 -12.829
  101   1HE   LYS  14          2HE       LYS  14   4.284  -3.541 -13.724
  102   2HE   LYS  14          1HE       LYS  14   4.016  -3.514 -11.984
  103   1HZ   LYS  14          3HZ       LYS  14   2.364  -2.067 -14.006
  104   2HZ   LYS  14          1HZ       LYS  14   1.935  -3.451 -13.213
  105   3HZ   LYS  14          2HZ       LYS  14   2.098  -2.037 -12.376
  106    H    CYS  15           H        CYS  15   3.799   0.110  -8.462
  107    HA   CYS  15           HA       CYS  15   5.981  -0.822  -6.588
  108   1HB   CYS  15          1HB       CYS  15   5.113   0.512  -4.659
  109   2HB   CYS  15          2HB       CYS  15   5.640   1.585  -5.971
  110    H    LEU  16           H        LEU  16   5.102  -1.873  -4.694
  111    HA   LEU  16           HA       LEU  16   2.996  -3.896  -5.395
  112   1HB   LEU  16          2HB       LEU  16   4.738  -3.496  -2.884
  113   2HB   LEU  16          1HB       LEU  16   3.592  -4.800  -3.026
  114    HG   LEU  16           HG       LEU  16   5.943  -4.434  -4.975
  115   1HD1  LEU  16          2HD1      LEU  16   6.789  -4.745  -2.652
  116   2HD1  LEU  16          1HD1      LEU  16   5.774  -6.191  -2.438
  117   3HD1  LEU  16          3HD1      LEU  16   7.108  -6.195  -3.624
  118   1HD2  LEU  16          2HD2      LEU  16   4.087  -6.858  -4.441
  119   2HD2  LEU  16          3HD2      LEU  16   4.091  -5.853  -5.909
  120   3HD2  LEU  16          1HD2      LEU  16   5.501  -6.859  -5.528
  121    H    CYS  17           H        CYS  17   0.942  -3.414  -5.065
  122    HA   CYS  17           HA       CYS  17   0.006  -1.544  -2.844
  123   1HB   CYS  17          1HB       CYS  17  -0.776  -1.405  -5.360
  124   2HB   CYS  17          2HB       CYS  17  -1.829  -2.783  -4.964
  125    H    ASN  18           H        ASN  18   0.266  -2.801  -1.071
  126    HA   ASN  18           HA       ASN  18   0.006  -4.427   0.565
  127   1HB   ASN  18          1HB       ASN  18  -2.449  -4.402   0.199
  128   2HB   ASN  18          2HB       ASN  18  -2.309  -5.589  -1.078
  129   1HD2  ASN  18          1HD2      ASN  18  -2.748  -8.204   1.263
  130   2HD2  ASN  18          2HD2      ASN  18  -3.273  -7.333  -0.264
  131    H    LYS  19           H        LYS  19  -0.732  -6.518  -2.139
  132    HA   LYS  19           HA       LYS  19   2.106  -7.240  -2.632
  133   1HB   LYS  19          2HB       LYS  19   1.817  -9.739  -2.399
  134   2HB   LYS  19          1HB       LYS  19   1.948  -8.848  -0.904
  135   1HG   LYS  19          2HG       LYS  19  -0.418  -9.091  -0.380
  136   2HG   LYS  19          1HG       LYS  19  -0.812  -9.711  -1.972
  137   1HD   LYS  19          1HD       LYS  19   0.620 -11.763  -1.516
  138   2HD   LYS  19          2HD       LYS  19   1.020 -11.122   0.082
  139   1HE   LYS  19          1HE       LYS  19  -1.443 -11.172   0.720
  140   2HE   LYS  19          2HE       LYS  19  -1.845 -11.812  -0.880
  141   1HZ   LYS  19          3HZ       LYS  19  -0.083 -13.163   1.108
  142   2HZ   LYS  19          1HZ       LYS  19  -1.643 -13.577   0.755
  143   3HZ   LYS  19          2HZ       LYS  19  -0.460 -13.760  -0.385
  144    H    ASP  20           H        ASP  20   0.516  -5.851  -4.209
  145    HA   ASP  20           HA       ASP  20  -0.013  -7.686  -6.603
  146   1HB   ASP  20          1HB       ASP  20  -1.769  -5.331  -5.604
  147   2HB   ASP  20          2HB       ASP  20  -1.971  -6.168  -7.128
  148    H    GLU  21           H        GLU  21   1.311  -7.053  -8.217
  149    HA   GLU  21           HA       GLU  21   2.789  -4.546  -8.285
  150   1HB   GLU  21          1HB       GLU  21   3.591  -5.287 -10.489
  151   2HB   GLU  21          2HB       GLU  21   3.700  -6.509  -9.256
  152   1HG   GLU  21          1HG       GLU  21   3.108  -7.775 -11.081
  153   2HG   GLU  21          2HG       GLU  21   1.551  -7.597 -10.305
  154    H    CYS  22           H        CYS  22   2.142  -2.633  -8.766
  155    HA   CYS  22           HA       CYS  22  -0.494  -2.177 -10.254
  156   1HB   CYS  22          1HB       CYS  22  -0.703  -2.377  -7.737
  157   2HB   CYS  22          2HB       CYS  22   0.265  -0.891  -7.573
  158    HA   PRO  23           HA       PRO  23   1.981   1.184 -12.244
  159   1HB   PRO  23          1HB       PRO  23  -0.849   2.211 -12.878
  160   2HB   PRO  23          2HB       PRO  23   0.564   2.125 -13.951
  161   1HG   PRO  23          2HG       PRO  23  -1.332   0.215 -14.157
  162   2HG   PRO  23          1HG       PRO  23   0.377  -0.284 -14.161
  163   1HD   PRO  23          1HD       PRO  23  -1.599  -0.380 -11.807
  164   2HD   PRO  23          2HD       PRO  23  -0.420  -1.614 -12.363
  165    HA   PRO  24           HA       PRO  24   2.036   4.570  -9.249
  166   1HB   PRO  24          1HB       PRO  24   2.854   6.791 -10.804
  167   2HB   PRO  24          2HB       PRO  24   3.879   5.476 -10.225
  168   1HG   PRO  24          2HG       PRO  24   2.583   5.774 -12.968
  169   2HG   PRO  24          1HG       PRO  24   4.267   5.329 -12.591
  170   1HD   PRO  24          2HD       PRO  24   2.399   3.419 -13.212
  171   2HD   PRO  24          1HD       PRO  24   3.635   3.083 -11.971
  172    H    GLY  25           H        GLY  25   0.531   5.710  -8.276
  173   1HA   GLY  25          1HA       GLY  25  -1.264   7.456  -8.144
  174   2HA   GLY  25          2HA       GLY  25  -1.690   7.198  -9.802
  175    H    GLN  26           H        GLN  26  -2.008   4.469  -9.982
  176    HA   GLN  26           HA       GLN  26  -4.718   4.165  -9.020
  177   1HB   GLN  26          1HB       GLN  26  -2.806   2.057 -10.226
  178   2HB   GLN  26          2HB       GLN  26  -4.512   1.772  -9.943
  179   1HG   GLN  26          2HG       GLN  26  -5.046   3.831 -11.417
  180   2HG   GLN  26          1HG       GLN  26  -3.349   3.861 -11.870
  181   1HE2  GLN  26          2HE2      GLN  26  -5.704   1.335 -13.900
  182   2HE2  GLN  26          1HE2      GLN  26  -6.286   2.716 -12.839
  183    H    CYS  27           H        CYS  27  -1.914   3.269  -7.127
  184    HA   CYS  27           HA       CYS  27  -3.229   1.100  -5.603
  185   1HB   CYS  27          1HB       CYS  27  -0.765   1.302  -5.713
  186   2HB   CYS  27          2HB       CYS  27  -0.817   2.819  -4.778
  187    NH1  ARG  28           NH1      ARG  28  -6.320   6.753  -7.292
  188    NH2  ARG  28           NH2      ARG  28  -7.463   5.797  -9.007
  189    H    ARG  28           H        ARG  28  -5.005   1.483  -4.523
  190    HA   ARG  28           HA       ARG  28  -5.609   4.121  -3.162
  191   1HB   ARG  28          2HB       ARG  28  -7.415   1.665  -3.571
  192   2HB   ARG  28          1HB       ARG  28  -7.938   3.248  -3.026
  193   1HG   ARG  28          1HG       ARG  28  -7.004   2.429  -5.808
  194   2HG   ARG  28          2HG       ARG  28  -8.615   2.909  -5.309
  195   1HD   ARG  28          1HD       ARG  28  -7.815   5.284  -4.909
  196   2HD   ARG  28          2HD       ARG  28  -6.167   4.801  -5.366
  197    HE   ARG  28           HE       ARG  28  -8.195   4.111  -7.441
  198   1HH1  ARG  28          2HH1      ARG  28  -6.062   6.718  -6.299
  199   2HH1  ARG  28          1HH1      ARG  28  -6.032   7.458  -7.979
  200   1HH2  ARG  28          2HH2      ARG  28  -8.076   5.037  -9.326
  201   2HH2  ARG  28          1HH2      ARG  28  -7.096   6.569  -9.573
  202    H    PHE  29           H        PHE  29  -6.041   4.303  -1.007
  203    HA   PHE  29           HA       PHE  29  -5.232   1.949   0.824
  204   1HB   PHE  29          1HB       PHE  29  -4.480   4.924   0.971
  205   2HB   PHE  29          2HB       PHE  29  -4.406   3.880   2.361
  206    HD1  PHE  29           HD1      PHE  29  -3.068   4.153  -1.179
  207    HD2  PHE  29           HD2      PHE  29  -2.515   2.442   2.735
  208    HE1  PHE  29           HE1      PHE  29  -0.914   3.212  -1.883
  209    HE2  PHE  29           HE2      PHE  29  -0.347   1.532   2.014
  210    HZ   PHE  29           HZ       PHE  29   0.437   1.887  -0.301
  211    HA   PRO  30           HA       PRO  30  -9.492   3.214   2.331
  212   1HB   PRO  30          1HB       PRO  30 -10.553   0.711   2.776
  213   2HB   PRO  30          2HB       PRO  30 -10.437   1.436   1.171
  214   1HG   PRO  30          1HG       PRO  30  -8.497  -0.562   2.454
  215   2HG   PRO  30          2HG       PRO  30  -9.241  -0.685   0.854
  216   1HD   PRO  30          1HD       PRO  30  -6.700   0.325   1.288
  217   2HD   PRO  30          2HD       PRO  30  -7.710   0.954  -0.051
  218    NH1  ARG  31           NH1      ARG  31  -8.365   8.850   7.237
  219    NH2  ARG  31           NH2      ARG  31  -7.371   9.566   5.323
  220    H    ARG  31           H        ARG  31 -10.267   3.382   4.411
  221    HA   ARG  31           HA       ARG  31  -8.273   3.183   6.509
  222   1HB   ARG  31          1HB       ARG  31 -11.167   4.273   6.390
  223   2HB   ARG  31          2HB       ARG  31 -10.056   4.578   7.671
  224   1HG   ARG  31          2HG       ARG  31  -9.673   5.571   4.803
  225   2HG   ARG  31          1HG       ARG  31 -10.255   6.506   6.170
  226   1HD   ARG  31          2HD       ARG  31  -8.005   6.166   7.356
  227   2HD   ARG  31          1HD       ARG  31  -7.433   5.268   5.961
  228    HE   ARG  31           HE       ARG  31  -7.249   7.274   4.640
  229   1HH1  ARG  31          1HH1      ARG  31  -8.705   8.056   7.790
  230   2HH1  ARG  31          2HH1      ARG  31  -8.402   9.842   7.497
  231   1HH2  ARG  31          2HH2      ARG  31  -6.955   9.323   4.417
  232   2HH2  ARG  31          1HH2      ARG  31  -7.478  10.508   5.717
  233    H    GLY  32           H        GLY  32  -9.467   2.999   8.811
  234   1HA   GLY  32          1HA       GLY  32 -10.275   1.567  10.530
  235   2HA   GLY  32          2HA       GLY  32 -11.265   0.772   9.326
  236    H    ASP  33           H        ASP  33 -10.714  -1.245   8.807
  237    HA   ASP  33           HA       ASP  33  -7.850  -2.227   8.993
  238   1HB   ASP  33          2HB       ASP  33  -9.058  -3.012  11.106
  239   2HB   ASP  33          1HB       ASP  33 -10.189  -3.911  10.112
  240    H    ALA  34           H        ALA  34  -8.284  -1.463   6.776
  241    HA   ALA  34           HA       ALA  34  -9.204  -3.793   5.025
  242   1HB   ALA  34          1HB       ALA  34  -9.812  -0.802   4.524
  243   2HB   ALA  34          2HB       ALA  34 -10.184  -2.149   3.416
  244   3HB   ALA  34          3HB       ALA  34 -10.989  -2.054   4.994
  245    H    ASP  35           H        ASP  35  -7.841  -4.300   3.551
  246    HA   ASP  35           HA       ASP  35  -5.074  -3.208   3.653
  247   1HB   ASP  35          1HB       ASP  35  -6.220  -5.603   2.080
  248   2HB   ASP  35          2HB       ASP  35  -4.537  -5.121   2.014
  249    HA   PRO  36           HA       PRO  36  -5.279  -0.641  -0.005
  250   1HB   PRO  36          2HB       PRO  36  -2.610  -0.458  -0.824
  251   2HB   PRO  36          1HB       PRO  36  -3.336   0.331   0.578
  252   1HG   PRO  36          2HG       PRO  36  -1.681  -2.208   0.527
  253   2HG   PRO  36          1HG       PRO  36  -1.613  -0.881   1.695
  254   1HD   PRO  36          1HD       PRO  36  -2.974  -3.283   2.164
  255   2HD   PRO  36          2HD       PRO  36  -3.462  -1.741   2.925
  256    OH   TYR  37           OH       TYR  37 -10.893   1.760  -3.526
  257    H    TYR  37           H        TYR  37  -6.063  -0.948  -1.909
  258    HA   TYR  37           HA       TYR  37  -5.436  -3.497  -3.486
  259   1HB   TYR  37          1HB       TYR  37  -7.690  -3.462  -4.328
  260   2HB   TYR  37          2HB       TYR  37  -7.703  -3.459  -2.596
  261    HD1  TYR  37           HD1      TYR  37  -8.481  -1.448  -5.627
  262    HD2  TYR  37           HD2      TYR  37  -8.580  -1.460  -1.330
  263    HE1  TYR  37           HE1      TYR  37  -9.920   0.540  -5.651
  264    HE2  TYR  37           HE2      TYR  37 -10.035   0.515  -1.359
  265    HH   TYR  37           HH       TYR  37 -11.094   2.013  -2.621
  266    H    CYS  38           H        CYS  38  -5.078  -3.428  -5.634
  267    HA   CYS  38           HA       CYS  38  -4.279  -0.830  -6.925
  268   1HB   CYS  38          1HB       CYS  38  -2.981  -2.993  -7.264
  269   2HB   CYS  38          2HB       CYS  38  -4.339  -3.621  -8.230
  270    H    GLU  39           H        GLU  39  -5.548   0.326  -8.237
  271    HA   GLU  39           HA       GLU  39  -8.421  -0.340  -8.531
  272   1HB   GLU  39          1HB       GLU  39  -7.411   2.010  -8.085
  273   2HB   GLU  39          2HB       GLU  39  -6.919   2.055  -9.761
  274   1HG   GLU  39          2HG       GLU  39  -8.953   3.287  -9.635
  275   2HG   GLU  39          1HG       GLU  39  -9.404   1.791 -10.427