*HEADER   METALLOTHIONEIN                         22-NOV-94   1DMD    
*COMPND   CD-6 METALLOTHIONEIN-1 (CD-6 MT) (ALPHA DOMAIN)             
*COMPND  2 (NMR, 18 STRUCTURES)                                       
*SOURCE   CRAB (CALLINECTES SAPIDUS)                                  
*AUTHOR   S.S.NARULA,M.BROUWER,Y.HUA,I.M.ARMITAGE                     
*REVDAT  1   07-FEB-95 1DMD    0                                      

!ct_dihe.tbl, numbered 1,2, 3 etc.

!Dihedral angle of Lys 38 and Ala 40 is changed from -120+-40 to -20+-140 
!to consider type I and II turn, July 15
!Dihedral angles for C-terminal cluster, Feb 18, 1993
!The force constant is 2 
!The range of the side chain angles is +-30 
!The Values are based on the following arguments:
!
! for J> 9.0 Hz, phi= -120+-30;
!
! for J between 9.0 and 8.0 Hz, phi= -120+-40;
!
! for J between 8.0 and 5.0 Hz, phi= -105+-55;
!
! for J less than 5 Hz, phi= -60+-30
!
! For all Gly and Pro, phi= -105+-55; (Maximum Range).
!
set message=off echo=off end
!set message=on echo=on end
restraints dihedral reset ! Changed for XPLOR3.1, May 26
!
  !!    29, Pro, 
 assign (resid   1 and name c )   (resid   2 and name n ) (resid   2 and name ca)   (resid   2 and name c )  2.0 -105.0 55.0 2
!Cys 30, 7.7
 assign (resid   2 and name c )   (resid   3 and name n ) (resid   3 and name ca)   (resid   3 and name c )  2.0 -105.0 55.0 2
!Glu 31, 5?
 assign (resid   3 and name c )   (resid   4 and name n ) (resid   4 and name ca)   (resid   4 and name c )  2.0 -60.0 30.0 2
!Lys 32, 7.8
 assign (resid   4 and name c )   (resid   5 and name n ) (resid   5 and name ca)   (resid   5 and name c )  2.0 -105.0 55.0 2
!Cys 33, 9.6
 assign (resid   5 and name c )   (resid   6 and name n ) (resid   6 and name ca)   (resid   6 and name c )  2.0 -120.0 30.0 2
!Thr 34, 5.9
 assign (resid   6 and name c )   (resid   7 and name n ) (resid   7 and name ca)   (resid   7 and name c )  2.0 -105.0 55.0 2
!Ser 35, 9.1
 assign (resid   7 and name c )   (resid   8 and name n ) (resid   8 and name ca)   (resid   8 and name c )  2.0 -120.0 30.0 2
!Gly 36, 9.3
 assign (resid   8 and name c )   (resid   9 and name n ) (resid   9 and name ca)   (resid   9 and name c )  2.0 -120.0 30.0 2
!Cys 37, 6.8
 assign (resid   9 and name c )   (resid   10 and name n ) (resid   10 and name ca)   (resid   10 and name c )  2.0 -105.0 55.0 2
!Lys 38, 8.4, value changed from -120+-40 to -20+-140 to consider type I and II turn together.
 assign (resid   10 and name c )   (resid   11 and name n ) (resid   11 and name ca)   (resid   11 and name c )  2.0 -20.0 140.0 2
!Cys39, 7.0
 assign (resid   11 and name c )   (resid   12 and name n ) (resid   12 and name ca)   (resid   12 and name c )  2.0 -105.0 55.0 2
!Ala 40, 6.5, value changed from -105+-55 to -20+-140 to consider type I and II turn together.
 assign (resid   12 and name c )   (resid   13 and name n ) (resid   13 and name ca)   (resid   13 and name c )  2.0 -20.0 140.0 2
!Thr 41, 8.4
 assign (resid   13 and name c )   (resid   14 and name n ) (resid   14 and name ca)   (resid   14 and name c )  2.0 -120.0 40.0 2
!Lys 42, 3.9
 assign (resid   14 and name c )   (resid   15 and name n ) (resid   15 and name ca)   (resid   15 and name c )  2.0 -60.0 30.0 2
!Glu 43, 6.8
 assign (resid   15 and name c )   (resid 16  and name n ) (resid   16 and name ca)   (resid   16 and name c )  2.0 -105.0 55.0 2
!Glu 44, 6.4
 assign (resid   16 and name c )   (resid   17 and name n ) (resid   17 and name ca)   (resid   17 and name c )  2.0 -105.0 55.0 2
!Cys 45, 4.1
 assign (resid   17 and name c )   (resid   18 and name n ) (resid   18 and name ca)   (resid   18 and name c )  2.0 -60.0 30.0 2
!Ser 46, 4.1
 assign (resid   18 and name c )   (resid   19 and name n ) (resid   19 and name ca)   (resid   19 and name c )  2.0 -60.0 30.0 2
!Lys 47, 8.0
 assign (resid   19 and name c )   (resid   20 and name n ) (resid   20 and name ca)   (resid   20 and name c )  2.0 -105.0 55.0 2
!Thr 48, could not be measured
 assign (resid   20 and name c )   (resid   21 and name n ) (resid   21 and name ca)   (resid   21 and name c )  2.0 -105.0 55.0 2
!Cys 49, 9.0
 assign (resid   21 and name c )   (resid   22 and name n ) (resid   22 and name ca)   (resid   22 and name c )  2.0 -120.0 30.0 2
!Thr 50, 5.5
 assign (resid   22 and name c )   (resid   23 and name n ) (resid   23 and name ca)   (resid   23 and name c )  2.0 -105.0 55.0 2
!Lys 51, 6.5
 assign (resid   23 and name c )   (resid   24 and name n ) (resid   24 and name ca)   (resid   24 and name c )  2.0 -105.0 55.0 2
!Pro 52,
 assign (resid   24 and name c )   (resid   25 and name n ) (resid   25 and name ca)   (resid   25 and name c )  2.0 -105.0 55.0 2
!Cys 53, 7.0
 assign (resid   25 and name c )   (resid   26 and name n ) (resid   26 and name ca)   (resid   26 and name c )  2.0 -105.0 55.0 2
!Ser 54, 3.6
 assign (resid   26 and name c )   (resid   27 and name n ) (resid   27 and name ca)   (resid   27 and name c )  2.0 -60.0 30.0 2
!Cys 55, 7.2
 assign (resid   27 and name c )   (resid   28 and name n ) (resid   28 and name ca)   (resid   28 and name c )  2.0 -105.0 55.0 2
!Cys 56, 5.9
 assign (resid   28 and name c )   (resid   29 and name n ) (resid   29 and name ca)   (resid   29 and name c )  2.0 -105.0 55.0 2
!Pro 57
 assign (resid   29 and name c )   (resid   30 and name n ) (resid   30 and name ca)   (resid   30 and name c )  2.0 -105.0 55.0 2
!Lys 58, 7.0
 assign (resid   30 and name c )   (resid   31 and name n ) (resid   31 and name ca)   (resid   31 and name c )  2.0 -105.0 55.0 2
!
!Chi angles around Calpha-Cbeta bond
!Bridged Cys are Cys 33, Cys 49 and Cys 56; Feb. 18, 1993
!! Cys 30, terminal
assign (resid 3 and name n)    (resid 3 and name ca) (resid 3 and name cb)   (resid 3 and name sg) 1.0 60.0 30.0 2
!! Cys 33, bridged
assign (resid 6 and name n)    (resid 6 and name ca) (resid 6 and name cb)   (resid 6 and name sg) 1.0 -60.0 30.0 2 !March 1, July 15
!Cys 37, terminal, could not be determined.
!Cys 39, terminal, could not be determined
!!Cys 45, terminal
assign (resid 18 and name n)    (resid 18 and name ca) (resid 18 and name cb)   (resid 18 and name sg) 1.0 180.0 30.0 2
!Cys 49, bridged, 
assign (resid 22 and name n)    (resid 22 and name ca) (resid 22 and name cb)   (resid 22 and name sg) 1.0 -60.0 30.0 2 ! July 19, Sunday
!! Cys 53, terminal
assign (resid 26 and name n)    (resid 26 and name ca) (resid 26 and name cb)   (resid 26 and name sg) 1.0 -60.0 30.0 2
!Cys 55, terminal, could not be determined
!Cys 56, bridged
assign (resid 29 and name n)    (resid 29 and name ca) (resid 29 and name cb)   (resid 29 and name sg) 1.0 -60.0 30.0 2
end
set message=on echo=on end
----------
X-Sun-Data-Type: default
X-Sun-Data-Name: ct_noe.tbl.a
X-Sun-Content-Lines: 196

!ct_noe.tbl; July 9,1993, numbered 1,2, 3 etc.
!Some of the NOEs are corrected Feb 23, 24, 26, July 8,9
!For C-terminal metal cluster
!Reference for NOE is JMB 196, 611-39 (1987).
!
! Strong NOEs have range 1.8 0.0 0.9
! Medium NOEs have range 1.8 0.0 1.4
! Weak   NOEs have range 1.8 0.0 1.8
! Very weak NOEs have range 1.8 0.0 2.7 (Those appearing in higher mixing time
! NOESY spectra.
! Add 2.4 for Val methyl groups.
set message=off echo=off end
!set message=on echo=on end
!
assign (resid    1 and  name HA   )(resid   2 and  name HG#  ) 1.8 0.0 1.9 ! July 9
assign (resid    1 and  name HA   )(resid   2 and  name HG#  ) 1.8 0.0 2.8 ! July 8
assign (resid    1 and  name HT#   )(resid   1 and  name HB#  ) 1.8 0.0 1.6 !0.6 added
assign (resid    2 and  name HA   )(resid   3 and  name HN   ) 1.8 0.0 0.9
assign (resid    2 and  name HB#   )(resid   3 and  name HN   ) 1.8 0.0 2.8
assign (resid    2 and  name HA   )(resid   6 and  name HB2   ) 1.8 0.0 1.8 !1.4 to 1.8 23 24,July 8
assign (resid    2 and  name HA   )(resid   6 and  name HB1   ) 1.8 0.0 1.8 !19 24, July 8
!assign (resid    2 and  name HD#   )(resid   19 and  name HA   ) 1.8 0.0 2.8 !Careful
assign (resid    2 and  name HA   )(resid   26 and  name HA   ) 1.8 0.0 2.7 !19
assign (resid    2 and  name HA   )(resid   26 and  name HB1   ) 1.8 0.0 1.4 !0.9 to 1.4 23
!assign (resid    2 and  name HA   )(resid   27 and  name HN  ) 1.8 0.0 1.8 ! Feb 20, 23,July 9
assign (resid    2 and  name HG#   )(resid   28 and  name HN  ) 1.8 0.0 2.8 ! July 9, D to G
assign (resid    3 and  name HA   )(resid   4 and  name HN   ) 1.8 0.0 1.4
assign (resid    3 and  name HA   )(resid   4 and  name HA   ) 1.8 0.0 2.7 !19
assign (resid    3 and  name HN   )(resid   4 and  name HN   ) 1.8 0.0 2.7
assign (resid    3 and  name HN   )(resid   3 and  name HB1   ) 1.8 0.0 0.9 ! July 8
assign (resid    3 and  name HN   )(resid   3 and  name HB2   ) 1.8 0.0 1.8 !  July 8
assign (resid    3 and  name HB1   )(resid   4 and  name HN   ) 1.8 0.0 1.4
assign (resid    3 and  name HB2   )(resid   4 and  name HN   ) 1.8 0.0 0.9
assign (resid    3 and  name HB1   )(resid   5 and  name HN   ) 1.8 0.0 2.7 !19
assign (resid    3 and  name HB2   )(resid   5 and  name HN   ) 1.8 0.0 1.8 !19
assign (resid    3 and  name HN   )(resid   6 and  name HN   ) 1.8 0.0 2.7
assign (resid    3 and  name HN   )(resid   6 and  name HB1   ) 1.8 0.0 1.8 !19
assign (resid    3 and  name HN   )(resid   6 and  name HB2   ) 1.8 0.0 1.4 !0.9 to 1.4 26, July 8
!assign (resid    3 and  name HA   )(resid   16 and  name HN  ) 1.8 0.0 1.4 ! Feb 20,23, July 9
!assign (resid    3 and  name HA   )(resid   17 and  name HN  ) 1.8 0.0 1.8 ! Feb 20, July 9
assign (resid    3 and  name HB2   )(resid   5 and  name HN  ) 1.8 0.0 1.8 ! July 8
assign (resid    4 and  name HN   )(resid   4 and  name HB#   ) 1.8 0.0 1.9
assign (resid    4 and  name HN   )(resid   4 and  name HG#   ) 1.8 0.0 2.4
assign (resid    4 and  name HA   )(resid   5 and  name HN   ) 1.8 0.0 1.8
assign (resid    4 and  name HN   )(resid   5 and  name HN   ) 1.8 0.0 1.4
assign (resid    4 and  name HB#   )(resid   5 and  name HN  ) 1.8 0.0 2.4 ! July 8
assign (resid    4 and  name HG#   )(resid   5 and  name HN  ) 1.8 0.0 2.8 ! July 8
assign (resid    5 and  name HN   )(resid   5 and  name HB#   ) 1.8 0.0 1.9
assign (resid    5 and  name HN   )(resid   5 and  name HG#   ) 1.8 0.0 2.4
assign (resid    5 and  name HN   )(resid   6 and  name HN   ) 1.8 0.0 0.9
assign (resid    5 and  name HA   )(resid   6 and  name HN   ) 1.8 0.0 1.4
assign (resid    5 and  name HN   )(resid   6 and  name HB2   ) 1.8 0.0 2.7 !19
assign (resid    5 and  name HN   )(resid   7 and  name HN   ) 1.8 0.0 1.8
assign (resid    5 and  name HB#   )(resid   6 and  name HN  ) 1.8 0.0 1.9 ! July 8
assign (resid    6 and  name HN   )(resid   6 and  name HB1   ) 1.8 0.0 1.4
assign (resid    6 and  name HN   )(resid   6 and  name HB2   ) 1.8 0.0 0.9
assign (resid    6 and  name HN   )(resid   7 and  name HN   ) 1.8 0.0 2.7
assign (resid    6 and  name HA   )(resid   7 and  name HN   ) 1.8 0.0 1.8
assign (resid    6 and  name HB2   )(resid   7 and  name HN   ) 1.8 0.0 1.8 !1.4 to 1.8 26
assign (resid    6 and  name HA   )(resid   10 and  name HA   ) 1.8 0.0 1.4 !19
assign (resid    6 and  name HA   )(resid   11 and  name HN  ) 1.8 0.0 1.8 ! Feb 20, July 8
assign (resid    7 and  name HN   )(resid   8 and  name HN   ) 1.8 0.0 1.8
assign (resid    7 and  name HA   )(resid   8 and  name HN   ) 1.8 0.0 1.8
assign (resid    7 and  name HN   )(resid   7 and  name HB   ) 1.8 0.0 0.9
assign (resid    7 and  name HN   )(resid   7 and  name HG#   ) 1.8 0.0 2.9 !(0.5 added)
assign (resid    7 and  name HA   )(resid   9 and  name HN   ) 1.8 0.0 1.8
!assign (resid    7 and  name HN   )(resid   13 and  name HA   ) 1.8 0.0 2.7 !19 , 23
assign (resid    7 and  name HG#   )(resid   8 and  name HN   ) 1.8 0.0 2.8 ! July 8
assign (resid    8 and  name HN   )(resid   9 and  name HN   ) 1.8 0.0 1.4
assign (resid    8 and  name HA   )(resid   9 and  name HN   ) 1.8 0.0 1.4
assign (resid    8 and  name HB#   )(resid   8 and  name HN   ) 1.8 0.0 2.4
assign (resid    8 and  name HB#   )(resid   9 and  name HN   ) 1.8 0.0 3.7
assign (resid    9 and  name HN   )(resid   10 and  name HN   ) 1.8 0.0 1.8
assign (resid    9 and  name HA#   )(resid   10 and  name HN   ) 1.8 0.0 1.9
assign (resid    10 and  name HN   )(resid   10 and  name HB#   ) 1.8 0.0 1.9
assign (resid    10 and  name HA   )(resid   11 and  name HN   ) 1.8 0.0 0.9
assign (resid    10 and  name HA   )(resid   12 and  name HN   ) 1.8 0.0 1.8
!assign (resid    10 and  name HB#   )(resid   28 and  name HA   ) 1.8 0.0 2.7 !19, 23, July 9
!assign (resid    10 and  name HB#   )(resid   19 and  name HA   ) 1.8 0.0 3.7 !19, 23
assign (resid    11 and  name HN   )(resid   11 and  name HB#   ) 1.8 0.0 2.4
assign (resid    11 and  name HN   )(resid   12 and  name HN   ) 1.8 0.0 0.9
assign (resid    11 and  name HA   )(resid   12 and  name HN   ) 1.8 0.0 1.8
assign (resid    12 and  name HN   )(resid   12 and  name HB1   ) 1.8 0.0 1.4
assign (resid    12 and  name HN   )(resid   12 and  name HB2   ) 1.8 0.0 0.9
assign (resid    12 and  name HA   )(resid   13 and  name HN   ) 1.8 0.0 0.9
assign (resid    12 and  name HB1   )(resid   13 and  name HN   ) 1.8 0.0 1.8
assign (resid    12 and  name HB1   )(resid   18 and  name HN   ) 1.8 0.0 1.8 !19, 1.4 to 1.8 23, July 8
assign (resid    12 and  name HB2   )(resid   18 and  name HN   ) 1.8 0.0 2.7 !19,23, July 8
assign (resid    12 and  name HB1   )(resid   18 and  name HA   ) 1.8 0.0 1.4 !19, 9 to 1.4 23
assign (resid    12 and  name HB2   )(resid   18 and  name HA   ) 1.8 0.0 1.8 !19
!assign (resid    12 and  name HB1   )(resid   29 and  name HA   ) 1.8 0.0 2.7 !19, could be SD, July 9
assign (resid    12 and  name HB2   )(resid   29 and  name HA   ) 1.8 0.0 1.4 !19
assign (resid    12 and  name HB1   )(resid   30 and  name HD#   ) 1.8 0.0 2.4 !19
assign (resid    12 and  name HB2   )(resid   30 and  name HD#   ) 1.8 0.0 2.4 !19
assign (resid    13 and  name HN   )(resid   13 and  name HB#   ) 1.8 0.0 1.9
assign (resid    13 and  name HA   )(resid   14 and  name HN   ) 1.8 0.0 1.8
assign (resid    13 and  name HN   )(resid   14 and  name HN   ) 1.8 0.0 0.9
assign (resid    13 and  name HB#   )(resid   14 and  name HN   ) 1.8 0.0 1.9
assign (resid    13 and  name HN   )(resid   17 and  name HB#   ) 1.8 0.0 2.8 !19
assign (resid    14 and  name HN   )(resid   14 and  name HB#   ) 1.8 0.0 2.4
assign (resid    14 and  name HN   )(resid   15 and  name HN   ) 1.8 0.0 2.7
assign (resid    14 and  name HA   )(resid   15 and  name HN   ) 1.8 0.0 0.9
assign (resid    14 and  name HA   )(resid   15 and  name HA   ) 1.8 0.0 2.7 !19
assign (resid    14 and  name HB#   )(resid   15 and  name HN   ) 1.8 0.0 2.8
assign (resid    14 and  name HN   )(resid   17 and  name HB#   ) 1.8 0.0 1.9 !19
assign (resid    14 and  name HN   )(resid   17 and  name HG#   ) 1.8 0.0 2.4 !19
assign (resid    14 and  name HN   )(resid   18 and  name HN   ) 1.8 0.0 2.7
assign (resid    15 and  name HN   )(resid   16 and  name HN   ) 1.8 0.0 1.4
assign (resid    15 and  name HA   )(resid   16 and  name HN   ) 1.8 0.0 1.8
assign (resid    15 and  name HA   )(resid   18 and  name HB2   ) 1.8 0.0 1.4 !19
assign (resid    15 and  name HA   )(resid   18 and  name HB1   ) 1.8 0.0 0.9 !19
assign (resid    15 and  name HN   )(resid   15 and  name HB#   ) 1.8 0.0 1.9
assign (resid    15 and  name HN   )(resid   15 and  name HG#   ) 1.8 0.0 1.9
assign (resid    15 and  name HA   )(resid   18 and  name HA   ) 1.8 0.0 2.7 !19, corrected 23
assign (resid    16 and  name HN   )(resid   16 and  name HB#   ) 1.8 0.0 1.9
assign (resid    16 and  name HN   )(resid   16 and  name HG#   ) 1.8 0.0 2.8!19
assign (resid    16 and  name HN   )(resid   17 and  name HN   ) 1.8 0.0 1.4
assign (resid    16 and  name HB#   )(resid   17 and  name HN   ) 1.8 0.0 1.9
assign (resid    17 and  name HN   )(resid   17 and  name HB#   ) 1.8 0.0 1.9
assign (resid    17 and  name HN   )(resid   17 and  name HG#   ) 1.8 0.0 1.9 !19
assign (resid    17 and  name HN   )(resid   18 and  name HN   ) 1.8 0.0 1.4
assign (resid    17 and  name HA   )(resid   18 and  name HN   ) 1.8 0.0 1.8
assign (resid    17 and  name HB#   )(resid   18 and  name HN   ) 1.8 0.0 1.9
assign (resid    17 and  name HG#   )(resid   18 and  name HN   ) 1.8 0.0 2.4 !19
assign (resid    18 and  name HN   )(resid   18 and  name HB1   ) 1.8 0.0 0.9
assign (resid    18 and  name HN   )(resid   18 and  name HB2   ) 1.8 0.0 0.9
assign (resid    18 and  name HN   )(resid   19 and  name HN   ) 1.8 0.0 1.4
assign (resid    18 and  name HA   )(resid   19 and  name HN   ) 1.8 0.0 1.8
assign (resid    18 and  name HB1   )(resid   19 and  name HN   ) 1.8 0.0 1.4 !0.9 to 1.4 24
assign (resid    18 and  name HB2   )(resid   19 and  name HN   ) 1.8 0.0 1.8
!assign (resid    18 and  name HA   )(resid   21 and  name HA   ) 1.8 0.0 1.4 !Careful, July 9
assign (resid    18 and  name HA   )(resid   21 and  name HN   ) 1.8 0.0 1.8 ! July 8
assign (resid    18 and  name HA   )(resid   21 and  name HG#   ) 1.8 0.0 2.8 !19
assign (resid    18 and  name HA   )(resid   21 and  name HN   ) 1.8 0.0 1.8 ! July 8
assign (resid    18 and  name HA   )(resid   22 and  name HN   ) 1.8 0.0 1.8
assign (resid    19 and  name HN   )(resid   19 and  name HB#   ) 1.8 0.0 1.9
assign (resid    19 and  name HN   )(resid   20 and  name HB#   ) 1.8 0.0 2.7 !19
assign (resid    19 and  name HN   )(resid   20 and  name HN   ) 1.8 0.0 1.4
assign (resid    19 and  name HB#   )(resid   20 and  name HN   ) 1.8 0.0 1.9
assign (resid    20 and  name HN   )(resid   20 and  name HB#   ) 1.8 0.0 2.4
assign (resid    20 and  name HN   )(resid   20 and  name HG#   ) 1.8 0.0 2.4 !19
assign (resid    20 and  name HN   )(resid   21 and  name HN   ) 1.8 0.0 0.9
assign (resid    20 and  name HA   )(resid   21 and  name HN   ) 1.8 0.0 1.8
assign (resid    20 and  name HA   )(resid   22 and  name HN   ) 1.8 0.0 2.7 !23, July 8
!assign (resid    20 and  name HN   )(resid   22 and  name HN  ) 1.8 0.0 1.8 ! Feb 20, July 8
assign (resid    21 and  name HN   )(resid   21 and  name HB#   ) 1.8 0.0 2.8
assign (resid    21 and  name HN   )(resid   22 and  name HN   ) 1.8 0.0 1.4 !0.9 to 1.4 24
assign (resid    21 and  name HA   )(resid   22 and  name HN   ) 1.8 0.0 1.4
assign (resid    21 and  name HB#   )(resid   22 and  name HN   ) 1.8 0.0 2.8
assign (resid    22 and  name HN   )(resid   22 and  name HB1   ) 1.8 0.0 1.8
assign (resid    22 and  name HN   )(resid   22 and  name HB2   ) 1.8 0.0 0.9
assign (resid    22 and  name HA   )(resid   23 and  name HN   ) 1.8 0.0 0.9
assign (resid    22 and  name HB1   )(resid   23 and  name HN   ) 1.8 0.0 1.4
assign (resid    22 and  name HB2   )(resid   23 and  name HN   ) 1.8 0.0 2.7
assign (resid    22 and  name HB1   )(resid   24 and  name HN   ) 1.8 0.0 1.4 !19
assign (resid    22 and  name HB2   )(resid   24 and  name HN   ) 1.8 0.0 1.8 !19
assign (resid    23 and  name HN   )(resid   23 and  name HB   ) 1.8 0.0 1.8
assign (resid    23 and  name HN   )(resid   23 and  name HG#   ) 1.8 0.0 2.4
assign (resid    23 and  name HN   )(resid   24 and  name HN   ) 1.8 0.0 1.4
assign (resid    23 and  name HA   )(resid   24 and  name HN   ) 1.8 0.0 1.4
assign (resid    23 and  name HB   )(resid   24 and  name HN   ) 1.8 0.0 1.4
assign (resid    23 and  name HG#   )(resid   24 and  name HN   ) 1.8 0.0 2.8
!assign (resid    23 and  name HA   )(resid   26 and  name HN   ) 1.8 0.0 2.7 !19, SD?
!assign (resid    23 and  name HN   )(resid   29 and  name HN   ) 1.8 0.0 2.7 !careful, 23
assign (resid    24 and  name HA   )(resid   25 and  name HD#   ) 1.8 0.0 1.9
assign (resid    25 and  name HA   )(resid   26 and  name HN   ) 1.8 0.0 0.9
!assign (resid    25 and  name HA   )(resid   27 and  name HN   ) 1.8 0.0 1.8 ! careful
assign (resid    25 and  name HA   )(resid   28 and  name HN   ) 1.8 0.0 2.7 !19
assign (resid    25 and  name HA   )(resid   29 and  name HN   ) 1.8 0.0 2.7 !19
assign (resid    26 and  name HN   )(resid   26 and  name HB1   ) 1.8 0.0 1.8
assign (resid    26 and  name HN   )(resid   26 and  name HB2   ) 1.8 0.0 1.4
assign (resid    26 and  name HA   )(resid   27 and  name HN   ) 1.8 0.0 1.4 !0.9 to 1.4 23
assign (resid    26 and  name HB1   )(resid   27 and  name HN   ) 1.8 0.0 1.8 !0.9 to 1.8 23
assign (resid    26 and  name HB2   )(resid   27 and  name HN   ) 1.8 0.0 1.8
assign (resid    26 and  name HN   )(resid   29 and  name HN   ) 1.8 0.0 1.8
assign (resid    26 and  name HN   )(resid   29 and  name HB2   ) 1.8 0.0 1.4 !19, 9 to 1.4 23
assign (resid    26 and  name HB1   )(resid   29 and  name HN   ) 1.8 0.0 2.7 !19
assign (resid    26 and  name HB2   )(resid   29 and  name HN   ) 1.8 0.0 2.7 !19 
assign (resid    26 and  name HB1   )(resid   28 and  name HN  ) 1.8 0.0 1.4 ! Feb 20
assign (resid    26 and  name HB2   )(resid   28 and  name HN  ) 1.8 0.0 1.8 ! Feb 20 
assign (resid    27 and  name HN   )(resid   27 and  name HB#   ) 1.8 0.0 1.9
assign (resid    27 and  name HA   )(resid   28 and  name HN   ) 1.8 0.0 1.8
assign (resid    27 and  name HN   )(resid   28 and  name HN   ) 1.8 0.0 1.4
assign (resid    28 and  name HA   )(resid   29 and  name HN   ) 1.8 0.0 1.8
assign (resid    28 and  name HN   )(resid   29 and  name HN   ) 1.8 0.0 0.9
assign (resid    29 and  name HN   )(resid   29 and  name HB1   ) 1.8 0.0 1.4
assign (resid    29 and  name HN   )(resid   29 and  name HB2   ) 1.8 0.0 0.9
!assign (resid    29 and  name HA   )(resid   30 and  name HG#   ) 1.8 0.0 1.9 !19 (or 3.7) Careful
assign (resid    29 and  name HA   )(resid   30 and  name HD#   ) 1.8 0.0 1.9
assign (resid    29 and  name HA   )(resid   30 and  name HA   ) 1.8 0.0 2.7 !19
assign (resid    29 and  name HB2   )(resid   30 and  name HG#   ) 1.8 0.0 1.9 !19
assign (resid    29 and  name HB2   )(resid   30 and  name HD#   ) 1.8 0.0 3.7 !19
assign (resid    30 and  name HA   )(resid   31 and  name HN   ) 1.8 0.0 0.9
assign (resid    30 and  name HB#   )(resid   31 and  name HN   ) 1.8 0.0 1.9
assign (resid    31 and  name HN   )(resid   31 and  name HB#   ) 1.8 0.0 1.9


  Entry H atom name         Orig H atom name
  Start of MODEL           1
 Raw file had  213 H/Q atoms
  Start of MODEL    1
    1   1H    SER   1          3H        SER   1  -6.188   7.118  -0.091
    2   2H    SER   1          2H        SER   1  -7.377   7.644   1.003
    3   3H    SER   1          1H        SER   1  -6.230   6.485   1.482
    4    HA   SER   1           HA       SER   1  -8.227   5.308   1.084
    5   1HB   SER   1          2HB       SER   1  -8.835   5.665  -1.603
    6   2HB   SER   1          1HB       SER   1  -9.710   6.379  -0.251
    7    HG   SER   1           HG       SER   1  -8.767   7.795  -2.004
    8    HA   PRO   2           HA       PRO   2  -5.305   2.551  -0.688
    9   1HB   PRO   2          2HB       PRO   2  -6.458   0.343   0.472
   10   2HB   PRO   2          1HB       PRO   2  -5.272   1.410   1.228
   11   1HG   PRO   2          2HG       PRO   2  -8.117   1.165   1.849
   12   2HG   PRO   2          1HG       PRO   2  -6.853   2.018   2.744
   13   1HD   PRO   2          1HD       PRO   2  -8.864   3.120   0.992
   14   2HD   PRO   2          2HD       PRO   2  -7.671   3.953   2.003
   15    H    CYS   3           H        CYS   3  -5.175   1.188  -2.357
   16    HA   CYS   3           HA       CYS   3  -7.245   1.411  -4.282
   17   1HB   CYS   3          2HB       CYS   3  -5.816  -0.190  -5.613
   18   2HB   CYS   3          1HB       CYS   3  -5.023   1.261  -5.064
   19    H    GLN   4           H        GLN   4  -7.391  -1.041  -5.518
   20    HA   GLN   4           HA       GLN   4  -9.483  -2.298  -3.879
   21   1HB   GLN   4          2HB       GLN   4  -8.736  -3.585  -6.435
   22   2HB   GLN   4          1HB       GLN   4 -10.323  -3.115  -5.830
   23   1HG   GLN   4          2HG       GLN   4  -8.236  -1.272  -7.024
   24   2HG   GLN   4          1HG       GLN   4  -9.761  -1.746  -7.758
   25   1HE2  GLN   4          2HE2      GLN   4 -11.740   0.430  -5.724
   26   2HE2  GLN   4          1HE2      GLN   4 -11.785  -0.961  -6.696
   27    H    LYS   5           H        LYS   5  -6.300  -2.702  -3.753
   28    HA   LYS   5           HA       LYS   5  -6.568  -5.630  -3.200
   29   1HB   LYS   5          2HB       LYS   5  -4.451  -4.127  -4.690
   30   2HB   LYS   5          1HB       LYS   5  -3.980  -5.539  -3.745
   31   1HG   LYS   5          2HG       LYS   5  -6.318  -6.283  -5.153
   32   2HG   LYS   5          1HG       LYS   5  -5.289  -5.447  -6.316
   33   1HD   LYS   5          2HD       LYS   5  -4.126  -7.534  -4.482
   34   2HD   LYS   5          1HD       LYS   5  -4.942  -8.008  -5.973
   35   1HE   LYS   5          2HE       LYS   5  -2.758  -5.920  -5.940
   36   2HE   LYS   5          1HE       LYS   5  -2.407  -7.637  -6.128
   37   1HZ   LYS   5          2HZ       LYS   5  -4.126  -7.566  -7.978
   38   2HZ   LYS   5          1HZ       LYS   5  -3.969  -5.875  -7.913
   39   3HZ   LYS   5          3HZ       LYS   5  -2.623  -6.837  -8.290
   40    H    CYS   6           H        CYS   6  -6.230  -2.714  -1.859
   41    HA   CYS   6           HA       CYS   6  -4.220  -3.494   0.183
   42   1HB   CYS   6          2HB       CYS   6  -5.174  -1.044  -1.099
   43   2HB   CYS   6          1HB       CYS   6  -5.083  -0.887   0.642
   44    H    THR   7           H        THR   7  -7.623  -3.056  -0.352
   45    HA   THR   7           HA       THR   7  -8.544  -2.313   2.169
   46    HB   THR   7           HB       THR   7  -9.760  -4.343   0.294
   47    HG1  THR   7           HG1      THR   7 -10.141  -1.562   0.685
   48   1HG2  THR   7          2HG2      THR   7 -10.637  -3.235   2.901
   49   2HG2  THR   7          1HG2      THR   7 -11.855  -3.259   1.625
   50   3HG2  THR   7          3HG2      THR   7 -11.068  -4.757   2.120
   51    H    SER   8           H        SER   8  -9.270  -5.639   1.553
   52    HA   SER   8           HA       SER   8  -8.252  -6.247   4.259
   53   1HB   SER   8          2HB       SER   8  -9.493  -8.266   4.106
   54   2HB   SER   8          1HB       SER   8 -10.504  -7.088   3.274
   55    HG   SER   8           HG       SER   8 -10.379  -8.526   1.726
   56    H    GLY   9           H        GLY   9  -6.509  -5.578   1.886
   57   1HA   GLY   9          2HA       GLY   9  -4.777  -7.977   2.180
   58   2HA   GLY   9          1HA       GLY   9  -5.282  -7.578   0.544
   59    H    CYS  10           H        CYS  10  -4.088  -5.540   3.292
   60    HA   CYS  10           HA       CYS  10  -2.519  -3.955   1.415
   61   1HB   CYS  10          2HB       CYS  10  -3.348  -3.051   3.616
   62   2HB   CYS  10          1HB       CYS  10  -2.182  -4.100   4.427
   63    H    LYS  11           H        LYS  11  -0.851  -4.958   0.398
   64    HA   LYS  11           HA       LYS  11   0.647  -7.066   1.839
   65   1HB   LYS  11          2HB       LYS  11   1.579  -7.646  -0.294
   66   2HB   LYS  11          1HB       LYS  11  -0.138  -7.332  -0.545
   67   1HG   LYS  11          2HG       LYS  11   0.333  -5.679  -1.993
   68   2HG   LYS  11          1HG       LYS  11   1.330  -4.866  -0.787
   69   1HD   LYS  11          2HD       LYS  11   2.644  -5.437  -2.806
   70   2HD   LYS  11          1HD       LYS  11   3.242  -6.292  -1.384
   71   1HE   LYS  11          2HE       LYS  11   1.469  -8.117  -2.212
   72   2HE   LYS  11          1HE       LYS  11   1.802  -7.357  -3.769
   73   1HZ   LYS  11          1HZ       LYS  11   4.064  -8.046  -2.039
   74   2HZ   LYS  11          3HZ       LYS  11   3.283  -9.301  -2.871
   75   3HZ   LYS  11          2HZ       LYS  11   3.969  -8.009  -3.735
   76    H    CYS  12           H        CYS  12   1.053  -3.696   1.396
   77    HA   CYS  12           HA       CYS  12   3.925  -3.768   1.168
   78   1HB   CYS  12          2HB       CYS  12   2.368  -1.382   2.064
   79   2HB   CYS  12          1HB       CYS  12   3.756  -1.492   1.028
   80    H    ALA  13           H        ALA  13   5.193  -4.248   2.880
   81    HA   ALA  13           HA       ALA  13   4.169  -3.915   5.633
   82   1HB   ALA  13          2HB       ALA  13   6.789  -4.996   4.541
   83   2HB   ALA  13          1HB       ALA  13   6.394  -4.916   6.258
   84   3HB   ALA  13          3HB       ALA  13   5.446  -5.942   5.181
   85    H    THR  14           H        THR  14   6.116  -2.319   3.297
   86    HA   THR  14           HA       THR  14   6.489  -0.017   5.079
   87    HB   THR  14           HB       THR  14   8.994  -0.822   3.702
   88    HG1  THR  14           HG1      THR  14   9.439  -2.141   5.650
   89   1HG2  THR  14          1HG2      THR  14   8.153   0.498   6.268
   90   2HG2  THR  14          3HG2      THR  14   9.800  -0.104   6.084
   91   3HG2  THR  14          2HG2      THR  14   9.183   1.127   4.982
   92    H    LYS  15           H        LYS  15   7.711   1.750   3.646
   93    HA   LYS  15           HA       LYS  15   6.140   2.094   1.269
   94   1HB   LYS  15          2HB       LYS  15   8.020   3.875   0.783
   95   2HB   LYS  15          1HB       LYS  15   6.912   4.124   2.132
   96   1HG   LYS  15          2HG       LYS  15   9.249   2.499   2.843
   97   2HG   LYS  15          1HG       LYS  15   9.668   4.130   2.319
   98   1HD   LYS  15          2HD       LYS  15   8.138   5.097   3.951
   99   2HD   LYS  15          1HD       LYS  15   7.579   3.491   4.422
  100   1HE   LYS  15          2HE       LYS  15   9.759   2.918   5.298
  101   2HE   LYS  15          1HE       LYS  15  10.458   4.406   4.659
  102   1HZ   LYS  15          3HZ       LYS  15   8.261   5.119   6.205
  103   2HZ   LYS  15          2HZ       LYS  15   9.149   3.992   7.115
  104   3HZ   LYS  15          1HZ       LYS  15   9.900   5.403   6.538
  105    H    GLU  16           H        GLU  16   8.909   0.203   1.858
  106    HA   GLU  16           HA       GLU  16  10.084   0.375  -0.792
  107   1HB   GLU  16          2HB       GLU  16  10.343  -1.578   1.498
  108   2HB   GLU  16          1HB       GLU  16  11.134  -1.869  -0.052
  109   1HG   GLU  16          2HG       GLU  16  11.528   0.524   1.768
  110   2HG   GLU  16          1HG       GLU  16  12.712  -0.729   1.392
  111    H    GLU  17           H        GLU  17   7.901  -1.941   0.822
  112    HA   GLU  17           HA       GLU  17   7.521  -3.480  -1.633
  113   1HB   GLU  17          2HB       GLU  17   5.708  -3.569   0.775
  114   2HB   GLU  17          1HB       GLU  17   6.110  -4.871  -0.345
  115   1HG   GLU  17          2HG       GLU  17   8.560  -3.968   0.754
  116   2HG   GLU  17          1HG       GLU  17   7.435  -4.132   2.103
  117    H    CYS  18           H        CYS  18   6.212  -0.644  -0.237
  118    HA   CYS  18           HA       CYS  18   3.558  -0.629  -1.281
  119   1HB   CYS  18          2HB       CYS  18   4.695   0.974   0.362
  120   2HB   CYS  18          1HB       CYS  18   5.325   1.787  -1.057
  121    H    SER  19           H        SER  19   6.648   0.011  -2.697
  122    HA   SER  19           HA       SER  19   5.652   1.393  -5.049
  123   1HB   SER  19          2HB       SER  19   8.219   0.544  -4.005
  124   2HB   SER  19          1HB       SER  19   8.092   0.176  -5.723
  125    HG   SER  19           HG       SER  19   8.169   2.234  -6.135
  126    H    LYS  20           H        LYS  20   5.147  -1.692  -4.088
  127    HA   LYS  20           HA       LYS  20   5.430  -2.896  -6.758
  128   1HB   LYS  20          2HB       LYS  20   6.333  -4.201  -4.975
  129   2HB   LYS  20          1HB       LYS  20   4.889  -3.968  -3.990
  130   1HG   LYS  20          2HG       LYS  20   4.752  -6.171  -4.938
  131   2HG   LYS  20          1HG       LYS  20   3.580  -5.161  -5.784
  132   1HD   LYS  20          2HD       LYS  20   4.915  -5.007  -7.715
  133   2HD   LYS  20          1HD       LYS  20   6.380  -5.473  -6.850
  134   1HE   LYS  20          2HE       LYS  20   5.178  -7.230  -8.388
  135   2HE   LYS  20          1HE       LYS  20   5.802  -7.735  -6.817
  136   1HZ   LYS  20          2HZ       LYS  20   3.051  -6.712  -7.054
  137   2HZ   LYS  20          1HZ       LYS  20   3.393  -8.324  -7.466
  138   3HZ   LYS  20          3HZ       LYS  20   3.708  -7.766  -5.896
  139    H    THR  21           H        THR  21   2.923  -2.405  -4.222
  140    HA   THR  21           HA       THR  21   0.892  -3.087  -6.273
  141    HB   THR  21           HB       THR  21   0.621  -4.344  -4.223
  142    HG1  THR  21           HG1      THR  21  -1.279  -3.505  -5.218
  143   1HG2  THR  21          1HG2      THR  21   1.309  -1.752  -3.053
  144   2HG2  THR  21          3HG2      THR  21  -0.062  -2.524  -2.255
  145   3HG2  THR  21          2HG2      THR  21   1.480  -3.372  -2.377
  146    H    CYS  22           H        CYS  22   2.241  -0.463  -4.674
  147    HA   CYS  22           HA       CYS  22   0.338   1.353  -6.014
  148   1HB   CYS  22          2HB       CYS  22   0.799   2.362  -3.327
  149   2HB   CYS  22          1HB       CYS  22  -0.716   2.184  -4.202
  150    H    THR  23           H        THR  23   1.139   3.732  -4.969
  151    HA   THR  23           HA       THR  23   4.092   3.748  -5.363
  152    HB   THR  23           HB       THR  23   2.456   6.076  -6.227
  153    HG1  THR  23           HG1      THR  23   1.367   4.822  -7.505
  154   1HG2  THR  23          3HG2      THR  23   5.132   4.986  -6.615
  155   2HG2  THR  23          2HG2      THR  23   4.365   5.406  -8.147
  156   3HG2  THR  23          1HG2      THR  23   4.544   6.626  -6.887
  157    H    LYS  24           H        LYS  24   1.496   4.632  -3.462
  158    HA   LYS  24           HA       LYS  24   3.246   6.261  -1.709
  159   1HB   LYS  24          2HB       LYS  24   1.059   7.275  -3.315
  160   2HB   LYS  24          1HB       LYS  24   0.709   7.493  -1.601
  161   1HG   LYS  24          2HG       LYS  24   1.967   9.388  -1.893
  162   2HG   LYS  24          1HG       LYS  24   3.303   8.264  -1.636
  163   1HD   LYS  24          2HD       LYS  24   3.603   7.975  -4.021
  164   2HD   LYS  24          1HD       LYS  24   2.153   8.921  -4.361
  165   1HE   LYS  24          2HE       LYS  24   3.695  10.589  -2.734
  166   2HE   LYS  24          1HE       LYS  24   4.865   9.838  -3.820
  167   1HZ   LYS  24          2HZ       LYS  24   2.331  10.946  -4.850
  168   2HZ   LYS  24          1HZ       LYS  24   3.677  11.950  -4.592
  169   3HZ   LYS  24          3HZ       LYS  24   3.783  10.655  -5.682
  170    HA   PRO  25           HA       PRO  25   1.070   4.275   1.600
  171   1HB   PRO  25          2HB       PRO  25   0.573   6.330   3.341
  172   2HB   PRO  25          1HB       PRO  25   2.186   5.641   3.083
  173   1HG   PRO  25          2HG       PRO  25   1.080   8.242   2.124
  174   2HG   PRO  25          1HG       PRO  25   2.756   7.799   2.486
  175   1HD   PRO  25          1HD       PRO  25   1.636   7.977  -0.089
  176   2HD   PRO  25          2HD       PRO  25   3.162   7.166   0.317
  177    H    CYS  26           H        CYS  26  -0.783   3.614   0.586
  178    HA   CYS  26           HA       CYS  26  -3.118   5.110   0.039
  179   1HB   CYS  26          2HB       CYS  26  -2.547   2.237   0.763
  180   2HB   CYS  26          1HB       CYS  26  -4.205   2.783   0.654
  181    H    SER  27           H        SER  27  -5.119   3.938   1.763
  182    HA   SER  27           HA       SER  27  -4.583   5.536   4.172
  183   1HB   SER  27          2HB       SER  27  -6.862   5.334   2.986
  184   2HB   SER  27          1HB       SER  27  -6.978   3.749   3.744
  185    HG   SER  27           HG       SER  27  -6.297   6.021   5.260
  186    H    CYS  28           H        CYS  28  -3.046   2.926   3.547
  187    HA   CYS  28           HA       CYS  28  -3.410   1.824   6.283
  188   1HB   CYS  28          2HB       CYS  28  -3.316  -0.535   5.110
  189   2HB   CYS  28          1HB       CYS  28  -4.855   0.306   5.309
  190    H    CYS  29           H        CYS  29  -1.439   1.942   3.312
  191    HA   CYS  29           HA       CYS  29   0.616   0.246   4.219
  192   1HB   CYS  29          2HB       CYS  29   1.203   2.673   2.593
  193   2HB   CYS  29          1HB       CYS  29   1.771   1.041   2.418
  194    HA   PRO  30           HA       PRO  30   2.951   2.919   6.939
  195   1HB   PRO  30          2HB       PRO  30   5.057   4.174   5.689
  196   2HB   PRO  30          1HB       PRO  30   5.059   2.457   6.133
  197   1HG   PRO  30          2HG       PRO  30   4.619   3.709   3.441
  198   2HG   PRO  30          1HG       PRO  30   5.388   2.165   3.842
  199   1HD   PRO  30          1HD       PRO  30   2.866   2.461   2.869
  200   2HD   PRO  30          2HD       PRO  30   3.404   1.039   3.779
  201    H    LYS  31           HN       LYS  31   3.766   5.301   7.414
  202    HA   LYS  31           HA       LYS  31   1.639   7.100   6.468
  203   1HB   LYS  31          2HB       LYS  31   2.696   8.696   8.119
  204   2HB   LYS  31          1HB       LYS  31   2.146   7.178   8.829
  205   1HG   LYS  31          2HG       LYS  31   4.231   6.728   9.540
  206   2HG   LYS  31          1HG       LYS  31   4.831   6.824   7.884
  207   1HD   LYS  31          2HD       LYS  31   5.937   8.693   8.481
  208   2HD   LYS  31          1HD       LYS  31   4.371   9.487   8.644
  209   1HE   LYS  31          2HE       LYS  31   5.674   7.873  10.851
  210   2HE   LYS  31          1HE       LYS  31   5.800   9.627  10.712
  211   1HZ   LYS  31          3HZ       LYS  31   3.104   8.753  10.473
  212   2HZ   LYS  31          2HZ       LYS  31   3.788   8.221  11.934
  213   3HZ   LYS  31          1HZ       LYS  31   3.778   9.876  11.551
   
  Start of MODEL           2
 Raw file had  213 H/Q atoms
  Start of MODEL    2
    1   1H    SER   1          2H        SER   1   7.342   5.176  -1.109
    2   2H    SER   1          1H        SER   1   7.975   6.315  -0.018
    3   3H    SER   1          3H        SER   1   8.846   5.904  -1.413
    4    HA   SER   1           HA       SER   1   9.418   3.802  -0.622
    5   1HB   SER   1          2HB       SER   1  10.869   5.071   0.631
    6   2HB   SER   1          1HB       SER   1   9.581   6.060   1.313
    7    HG   SER   1           HG       SER   1   9.878   4.840   3.004
    8    HA   PRO   2           HA       PRO   2   5.888   1.882   1.167
    9   1HB   PRO   2          2HB       PRO   2   6.704  -0.624   0.424
   10   2HB   PRO   2          1HB       PRO   2   5.768   0.502  -0.559
   11   1HG   PRO   2          2HG       PRO   2   8.554  -0.308  -0.912
   12   2HG   PRO   2          1HG       PRO   2   7.523   0.621  -2.008
   13   1HD   PRO   2          1HD       PRO   2   9.592   1.584  -0.242
   14   2HD   PRO   2          2HD       PRO   2   8.640   2.464  -1.451
   15    H    CYS   3           H        CYS   3   5.356   0.672   2.897
   16    HA   CYS   3           HA       CYS   3   7.206   0.813   5.049
   17   1HB   CYS   3          2HB       CYS   3   5.412  -0.458   6.299
   18   2HB   CYS   3          1HB       CYS   3   4.920   1.045   5.565
   19    H    GLN   4           H        GLN   4   6.950  -1.431   6.525
   20    HA   GLN   4           HA       GLN   4   8.932  -3.164   5.236
   21   1HB   GLN   4          2HB       GLN   4   7.646  -3.775   7.882
   22   2HB   GLN   4          1HB       GLN   4   9.304  -4.072   7.357
   23   1HG   GLN   4          2HG       GLN   4   9.154  -1.357   7.103
   24   2HG   GLN   4          1HG       GLN   4   8.101  -1.627   8.493
   25   1HE2  GLN   4          2HE2      GLN   4  10.809  -3.138  10.437
   26   2HE2  GLN   4          1HE2      GLN   4   9.173  -3.417  10.081
   27    H    LYS   5           H        LYS   5   5.914  -3.169   4.462
   28    HA   LYS   5           HA       LYS   5   5.756  -6.131   4.282
   29   1HB   LYS   5          2HB       LYS   5   3.881  -4.294   5.657
   30   2HB   LYS   5          1HB       LYS   5   3.156  -5.554   4.655
   31   1HG   LYS   5          2HG       LYS   5   3.881  -7.243   6.017
   32   2HG   LYS   5          1HG       LYS   5   5.393  -6.418   6.394
   33   1HD   LYS   5          2HD       LYS   5   3.816  -4.754   7.696
   34   2HD   LYS   5          1HD       LYS   5   2.704  -6.125   7.694
   35   1HE   LYS   5          2HE       LYS   5   4.817  -7.473   8.499
   36   2HE   LYS   5          1HE       LYS   5   5.411  -5.884   8.979
   37   1HZ   LYS   5          2HZ       LYS   5   2.812  -5.965   9.847
   38   2HZ   LYS   5          1HZ       LYS   5   3.420  -7.512  10.202
   39   3HZ   LYS   5          3HZ       LYS   5   4.204  -6.135  10.807
   40    H    CYS   6           H        CYS   6   5.983  -3.410   2.675
   41    HA   CYS   6           HA       CYS   6   3.916  -3.990   0.611
   42   1HB   CYS   6          2HB       CYS   6   5.124  -1.620   1.795
   43   2HB   CYS   6          1HB       CYS   6   5.250  -1.589   0.048
   44    H    THR   7           H        THR   7   7.394  -3.584   1.172
   45    HA   THR   7           HA       THR   7   8.315  -3.386  -1.439
   46    HB   THR   7           HB       THR   7   9.568  -5.038   0.762
   47    HG1  THR   7           HG1      THR   7   9.027  -2.633   0.940
   48   1HG2  THR   7          1HG2      THR   7  10.339  -4.527  -1.970
   49   2HG2  THR   7          3HG2      THR   7  11.506  -3.794  -0.870
   50   3HG2  THR   7          2HG2      THR   7  11.152  -5.519  -0.759
   51    H    SER   8           H        SER   8   8.815  -6.549   0.000
   52    HA   SER   8           HA       SER   8   8.030  -7.704  -2.604
   53   1HB   SER   8          2HB       SER   8  10.038  -8.393  -0.933
   54   2HB   SER   8          1HB       SER   8   8.776  -9.442  -0.295
   55    HG   SER   8           HG       SER   8   9.426 -10.654  -1.911
   56    H    GLY   9           H        GLY   9   6.106  -6.405  -0.682
   57   1HA   GLY   9          2HA       GLY   9   4.211  -8.691  -0.637
   58   2HA   GLY   9          1HA       GLY   9   4.568  -7.947   0.916
   59    H    CYS  10           H        CYS  10   4.327  -6.001  -2.063
   60    HA   CYS  10           HA       CYS  10   2.411  -4.263  -0.824
   61   1HB   CYS  10          2HB       CYS  10   3.803  -3.652  -2.859
   62   2HB   CYS  10          1HB       CYS  10   2.696  -4.640  -3.816
   63    H    LYS  11           H        LYS  11   0.433  -4.938  -0.218
   64    HA   LYS  11           HA       LYS  11  -0.951  -6.893  -2.019
   65   1HB   LYS  11          2HB       LYS  11  -0.975  -6.492   0.953
   66   2HB   LYS  11          1HB       LYS  11  -2.357  -7.250   0.162
   67   1HG   LYS  11          2HG       LYS  11  -0.948  -8.978  -0.787
   68   2HG   LYS  11          1HG       LYS  11   0.507  -8.167  -0.208
   69   1HD   LYS  11          2HD       LYS  11   0.118  -8.752   2.011
   70   2HD   LYS  11          1HD       LYS  11  -1.620  -8.929   1.767
   71   1HE   LYS  11          2HE       LYS  11   0.418 -10.778   0.505
   72   2HE   LYS  11          1HE       LYS  11  -0.352 -11.110   2.057
   73   1HZ   LYS  11          2HZ       LYS  11  -2.361 -10.394   0.278
   74   2HZ   LYS  11          1HZ       LYS  11  -1.375 -11.514  -0.534
   75   3HZ   LYS  11          3HZ       LYS  11  -2.072 -11.924   0.957
   76    H    CYS  12           H        CYS  12  -1.049  -3.629  -1.461
   77    HA   CYS  12           HA       CYS  12  -3.875  -3.288  -1.080
   78   1HB   CYS  12          2HB       CYS  12  -2.025  -1.224  -2.234
   79   2HB   CYS  12          1HB       CYS  12  -3.394  -1.038  -1.181
   80    H    ALA  13           H        ALA  13  -5.317  -3.723  -2.650
   81    HA   ALA  13           HA       ALA  13  -4.499  -3.523  -5.502
   82   1HB   ALA  13          2HB       ALA  13  -6.289  -5.214  -4.039
   83   2HB   ALA  13          1HB       ALA  13  -7.244  -4.283  -5.192
   84   3HB   ALA  13          3HB       ALA  13  -5.902  -5.277  -5.759
   85    H    THR  14           H        THR  14  -6.259  -1.934  -3.019
   86    HA   THR  14           HA       THR  14  -6.901   0.304  -4.832
   87    HB   THR  14           HB       THR  14  -9.238   0.300  -3.557
   88    HG1  THR  14           HG1      THR  14  -9.676  -2.197  -3.772
   89   1HG2  THR  14          3HG2      THR  14  -8.852   0.200  -6.023
   90   2HG2  THR  14          2HG2      THR  14  -8.691  -1.552  -5.892
   91   3HG2  THR  14          1HG2      THR  14 -10.226  -0.774  -5.504
   92    H    LYS  15           H        LYS  15  -8.227   1.939  -3.102
   93    HA   LYS  15           HA       LYS  15  -6.163   2.509  -1.113
   94   1HB   LYS  15          2HB       LYS  15  -7.680   4.410  -0.495
   95   2HB   LYS  15          1HB       LYS  15  -7.294   4.371  -2.215
   96   1HG   LYS  15          2HG       LYS  15  -9.473   4.178  -2.738
   97   2HG   LYS  15          1HG       LYS  15  -9.615   2.739  -1.727
   98   1HD   LYS  15          2HD       LYS  15 -11.111   4.178  -0.668
   99   2HD   LYS  15          1HD       LYS  15  -9.633   4.492   0.244
  100   1HE   LYS  15          2HE       LYS  15  -9.686   6.154  -2.112
  101   2HE   LYS  15          1HE       LYS  15 -11.182   6.365  -1.202
  102   1HZ   LYS  15          2HZ       LYS  15  -9.505   6.428   0.796
  103   2HZ   LYS  15          1HZ       LYS  15  -8.426   6.942  -0.412
  104   3HZ   LYS  15          3HZ       LYS  15  -9.844   7.823  -0.113
  105    H    GLU  16           H        GLU  16  -9.178   0.777  -1.143
  106    HA   GLU  16           HA       GLU  16  -9.814   0.992   1.650
  107   1HB   GLU  16          2HB       GLU  16 -10.765  -0.500  -0.616
  108   2HB   GLU  16          1HB       GLU  16 -10.523  -1.607   0.736
  109   1HG   GLU  16          2HG       GLU  16 -12.478  -0.877   1.583
  110   2HG   GLU  16          1HG       GLU  16 -11.701   0.681   1.866
  111    H    GLU  17           H        GLU  17  -7.895  -1.371  -0.204
  112    HA   GLU  17           HA       GLU  17  -7.052  -2.791   2.204
  113   1HB   GLU  17          2HB       GLU  17  -5.640  -2.908  -0.461
  114   2HB   GLU  17          1HB       GLU  17  -5.810  -4.180   0.749
  115   1HG   GLU  17          2HG       GLU  17  -8.018  -3.047  -0.996
  116   2HG   GLU  17          1HG       GLU  17  -7.305  -4.656  -1.116
  117    H    CYS  18           H        CYS  18  -5.789  -0.264   0.098
  118    HA   CYS  18           HA       CYS  18  -3.128  -0.107   1.072
  119   1HB   CYS  18          2HB       CYS  18  -4.216   1.149  -0.863
  120   2HB   CYS  18          1HB       CYS  18  -4.808   2.273   0.346
  121    H    SER  19           H        SER  19  -6.153   0.933   2.343
  122    HA   SER  19           HA       SER  19  -5.032   2.703   4.385
  123   1HB   SER  19          2HB       SER  19  -7.233   3.134   4.958
  124   2HB   SER  19          1HB       SER  19  -7.479   2.551   3.315
  125    HG   SER  19           HG       SER  19  -8.820   1.319   4.487
  126    H    LYS  20           H        LYS  20  -5.880  -0.617   4.030
  127    HA   LYS  20           HA       LYS  20  -5.898  -1.312   6.827
  128   1HB   LYS  20          2HB       LYS  20  -6.724  -2.532   4.552
  129   2HB   LYS  20          1HB       LYS  20  -5.210  -3.391   4.837
  130   1HG   LYS  20          2HG       LYS  20  -5.922  -3.959   7.110
  131   2HG   LYS  20          1HG       LYS  20  -7.405  -3.028   6.899
  132   1HD   LYS  20          2HD       LYS  20  -6.948  -5.024   4.785
  133   2HD   LYS  20          1HD       LYS  20  -7.165  -5.722   6.389
  134   1HE   LYS  20          2HE       LYS  20  -9.375  -5.306   6.320
  135   2HE   LYS  20          1HE       LYS  20  -9.076  -3.598   5.994
  136   1HZ   LYS  20          3HZ       LYS  20  -8.799  -5.609   3.855
  137   2HZ   LYS  20          2HZ       LYS  20 -10.325  -4.977   4.253
  138   3HZ   LYS  20          1HZ       LYS  20  -9.087  -3.942   3.721
  139    H    THR  21           H        THR  21  -3.351  -1.211   4.353
  140    HA   THR  21           HA       THR  21  -1.479  -2.168   6.460
  141    HB   THR  21           HB       THR  21  -0.216  -3.275   4.879
  142    HG1  THR  21           HG1      THR  21   0.455  -1.952   3.403
  143   1HG2  THR  21          3HG2      THR  21  -2.806  -3.832   4.744
  144   2HG2  THR  21          2HG2      THR  21  -2.629  -3.182   3.114
  145   3HG2  THR  21          1HG2      THR  21  -1.663  -4.568   3.621
  146    H    CYS  22           H        CYS  22  -2.363   0.466   4.597
  147    HA   CYS  22           HA       CYS  22  -0.166   2.060   5.759
  148   1HB   CYS  22          2HB       CYS  22  -0.517   2.805   2.946
  149   2HB   CYS  22          1HB       CYS  22   0.963   2.615   3.878
  150    H    THR  23           H        THR  23  -0.507   4.441   4.626
  151    HA   THR  23           HA       THR  23  -3.422   5.019   4.851
  152    HB   THR  23           HB       THR  23  -1.162   6.821   5.722
  153    HG1  THR  23           HG1      THR  23  -2.579   4.812   7.019
  154   1HG2  THR  23          2HG2      THR  23  -4.012   7.159   5.350
  155   2HG2  THR  23          1HG2      THR  23  -3.576   7.429   7.037
  156   3HG2  THR  23          3HG2      THR  23  -2.796   8.367   5.765
  157    H    LYS  24           H        LYS  24  -0.686   5.142   2.971
  158    HA   LYS  24           HA       LYS  24  -2.023   6.842   0.962
  159   1HB   LYS  24          2HB       LYS  24   0.172   7.737   2.622
  160   2HB   LYS  24          1HB       LYS  24   0.683   7.674   0.938
  161   1HG   LYS  24          2HG       LYS  24  -0.518   9.517   0.455
  162   2HG   LYS  24          1HG       LYS  24  -1.979   8.784   1.119
  163   1HD   LYS  24          2HD       LYS  24  -1.557   9.608   3.288
  164   2HD   LYS  24          1HD       LYS  24   0.144   9.912   2.938
  165   1HE   LYS  24          2HE       LYS  24  -1.903  11.361   1.310
  166   2HE   LYS  24          1HE       LYS  24  -1.629  11.898   2.967
  167   1HZ   LYS  24          1HZ       LYS  24   0.851  11.426   1.736
  168   2HZ   LYS  24          3HZ       LYS  24  -0.071  12.419   0.716
  169   3HZ   LYS  24          2HZ       LYS  24   0.221  12.892   2.322
  170    HA   PRO  25           HA       PRO  25   0.083   4.188  -1.911
  171   1HB   PRO  25          2HB       PRO  25   0.987   5.934  -3.818
  172   2HB   PRO  25          1HB       PRO  25  -0.721   5.496  -3.635
  173   1HG   PRO  25          2HG       PRO  25   0.657   8.034  -2.892
  174   2HG   PRO  25          1HG       PRO  25  -1.041   7.761  -3.317
  175   1HD   PRO  25          1HD       PRO  25  -0.030   8.107  -0.702
  176   2HD   PRO  25          2HD       PRO  25  -1.643   7.494  -1.119
  177    H    CYS  26           H        CYS  26   1.734   3.428  -0.661
  178    HA   CYS  26           HA       CYS  26   4.198   4.642  -0.050
  179   1HB   CYS  26          2HB       CYS  26   3.325   1.804  -0.604
  180   2HB   CYS  26          1HB       CYS  26   5.020   2.165  -0.333
  181    H    SER  27           H        SER  27   6.184   3.128  -1.428
  182    HA   SER  27           HA       SER  27   6.084   4.502  -4.020
  183   1HB   SER  27          2HB       SER  27   8.344   4.111  -4.157
  184   2HB   SER  27          1HB       SER  27   8.157   3.934  -2.415
  185    HG   SER  27           HG       SER  27   9.265   2.160  -3.355
  186    H    CYS  28           H        CYS  28   4.146   2.187  -3.397
  187    HA   CYS  28           HA       CYS  28   4.693   0.765  -5.950
  188   1HB   CYS  28          2HB       CYS  28   4.177  -1.434  -4.579
  189   2HB   CYS  28          1HB       CYS  28   5.821  -0.793  -4.670
  190    H    CYS  29           H        CYS  29   2.434   1.454  -3.294
  191    HA   CYS  29           HA       CYS  29   0.265  -0.082  -4.254
  192   1HB   CYS  29          2HB       CYS  29  -0.130   2.584  -2.976
  193   2HB   CYS  29          1HB       CYS  29  -0.942   1.074  -2.699
  194    HA   PRO  30           HA       PRO  30  -1.343   2.581  -7.486
  195   1HB   PRO  30          2HB       PRO  30  -3.381   4.217  -6.631
  196   2HB   PRO  30          1HB       PRO  30  -3.574   2.476  -6.909
  197   1HG   PRO  30          2HG       PRO  30  -3.282   3.949  -4.312
  198   2HG   PRO  30          1HG       PRO  30  -4.188   2.468  -4.661
  199   1HD   PRO  30          1HD       PRO  30  -1.764   2.592  -3.412
  200   2HD   PRO  30          2HD       PRO  30  -2.394   1.141  -4.211
  201    H    LYS  31           HN       LYS  31  -1.574   4.916  -8.360
  202    HA   LYS  31           HA       LYS  31   0.630   6.509  -7.354
  203   1HB   LYS  31          2HB       LYS  31  -0.032   8.111  -9.118
  204   2HB   LYS  31          1HB       LYS  31   0.049   6.466  -9.752
  205   1HG   LYS  31          2HG       LYS  31  -2.152   6.451 -10.247
  206   2HG   LYS  31          1HG       LYS  31  -2.583   7.079  -8.655
  207   1HD   LYS  31          2HD       LYS  31  -3.271   8.709 -10.307
  208   2HD   LYS  31          1HD       LYS  31  -1.876   9.363  -9.447
  209   1HE   LYS  31          2HE       LYS  31  -0.905   7.807 -11.636
  210   2HE   LYS  31          1HE       LYS  31  -2.153   8.890 -12.253
  211   1HZ   LYS  31          3HZ       LYS  31  -0.904  10.611 -10.773
  212   2HZ   LYS  31          2HZ       LYS  31   0.399   9.536 -10.956
  213   3HZ   LYS  31          1HZ       LYS  31  -0.327  10.238 -12.323
   
  Start of MODEL           3
 Raw file had  213 H/Q atoms
  Start of MODEL    3
    1   1H    SER   1          3H        SER   1   7.693   5.006  -1.773
    2   2H    SER   1          2H        SER   1   8.990   5.912  -1.154
    3   3H    SER   1          1H        SER   1   9.104   5.202  -2.694
    4    HA   SER   1           HA       SER   1   9.515   3.129  -1.900
    5   1HB   SER   1          2HB       SER   1  11.287   3.385  -0.471
    6   2HB   SER   1          1HB       SER   1  11.016   5.095  -0.795
    7    HG   SER   1           HG       SER   1  10.026   5.311   1.119
    8    HA   PRO   2           HA       PRO   2   6.155   1.790   0.551
    9   1HB   PRO   2          2HB       PRO   2   6.670  -0.857   0.088
   10   2HB   PRO   2          1HB       PRO   2   5.707   0.216  -0.932
   11   1HG   PRO   2          2HG       PRO   2   8.381  -0.877  -1.447
   12   2HG   PRO   2          1HG       PRO   2   7.277  -0.069  -2.567
   13   1HD   PRO   2          1HD       PRO   2   9.607   1.012  -1.315
   14   2HD   PRO   2          2HD       PRO   2   8.473   1.797  -2.427
   15    H    CYS   3           H        CYS   3   5.669   0.719   2.405
   16    HA   CYS   3           HA       CYS   3   7.675   0.988   4.412
   17   1HB   CYS   3          2HB       CYS   3   5.905   0.059   5.932
   18   2HB   CYS   3          1HB       CYS   3   5.416   1.443   4.995
   19    H    GLN   4           H        GLN   4   7.267  -1.083   6.146
   20    HA   GLN   4           HA       GLN   4   9.141  -3.049   5.080
   21   1HB   GLN   4          2HB       GLN   4   9.159  -3.933   7.322
   22   2HB   GLN   4          1HB       GLN   4   9.187  -2.172   7.409
   23   1HG   GLN   4          2HG       GLN   4   6.735  -2.164   7.766
   24   2HG   GLN   4          1HG       GLN   4   6.738  -3.928   7.730
   25   1HE2  GLN   4          2HE2      GLN   4   8.309  -4.238  10.948
   26   2HE2  GLN   4          1HE2      GLN   4   8.142  -5.013   9.447
   27    H    LYS   5           H        LYS   5   6.041  -2.921   4.411
   28    HA   LYS   5           HA       LYS   5   5.761  -5.892   4.449
   29   1HB   LYS   5          2HB       LYS   5   3.938  -3.843   5.605
   30   2HB   LYS   5          1HB       LYS   5   3.196  -5.212   4.776
   31   1HG   LYS   5          2HG       LYS   5   5.116  -6.466   6.280
   32   2HG   LYS   5          1HG       LYS   5   4.652  -5.135   7.341
   33   1HD   LYS   5          2HD       LYS   5   2.309  -6.328   6.123
   34   2HD   LYS   5          1HD       LYS   5   3.261  -7.550   6.965
   35   1HE   LYS   5          2HE       LYS   5   2.455  -6.798   8.924
   36   2HE   LYS   5          1HE       LYS   5   3.227  -5.242   8.621
   37   1HZ   LYS   5          1HZ       LYS   5   0.903  -5.454   7.050
   38   2HZ   LYS   5          3HZ       LYS   5   0.508  -5.815   8.659
   39   3HZ   LYS   5          2HZ       LYS   5   1.254  -4.336   8.280
   40    H    CYS   6           H        CYS   6   6.006  -3.267   2.606
   41    HA   CYS   6           HA       CYS   6   3.913  -4.025   0.643
   42   1HB   CYS   6          2HB       CYS   6   5.282  -1.591   1.521
   43   2HB   CYS   6          1HB       CYS   6   5.215  -1.739  -0.222
   44    H    THR   7           H        THR   7   7.382  -3.897   1.170
   45    HA   THR   7           HA       THR   7   8.338  -3.884  -1.441
   46    HB   THR   7           HB       THR   7   9.348  -5.452   0.931
   47    HG1  THR   7           HG1      THR   7  10.040  -3.558   1.448
   48   1HG2  THR   7          3HG2      THR   7  10.486  -5.070  -1.833
   49   2HG2  THR   7          2HG2      THR   7  11.536  -5.361  -0.447
   50   3HG2  THR   7          1HG2      THR   7  10.329  -6.562  -0.905
   51    H    SER   8           H        SER   8   8.613  -7.013   0.053
   52    HA   SER   8           HA       SER   8   7.613  -8.178  -2.472
   53   1HB   SER   8          2HB       SER   8   8.281 -10.350  -1.322
   54   2HB   SER   8          1HB       SER   8   9.607  -9.223  -1.596
   55    HG   SER   8           HG       SER   8   9.849  -9.637   0.491
   56    H    GLY   9           H        GLY   9   5.903  -6.695  -0.455
   57   1HA   GLY   9          2HA       GLY   9   3.861  -8.848  -0.260
   58   2HA   GLY   9          1HA       GLY   9   4.365  -8.118   1.256
   59    H    CYS  10           H        CYS  10   3.841  -6.397  -1.864
   60    HA   CYS  10           HA       CYS  10   2.257  -4.393  -0.514
   61   1HB   CYS  10          2HB       CYS  10   3.405  -4.025  -2.740
   62   2HB   CYS  10          1HB       CYS  10   2.161  -5.038  -3.477
   63    H    LYS  11           H        LYS  11   0.351  -4.937   0.424
   64    HA   LYS  11           HA       LYS  11  -1.322  -6.992  -0.945
   65   1HB   LYS  11          2HB       LYS  11  -0.738  -7.435   1.403
   66   2HB   LYS  11          1HB       LYS  11  -1.512  -5.924   1.883
   67   1HG   LYS  11          2HG       LYS  11  -3.576  -6.841   1.792
   68   2HG   LYS  11          1HG       LYS  11  -3.255  -7.583   0.225
   69   1HD   LYS  11          2HD       LYS  11  -1.795  -8.824   2.466
   70   2HD   LYS  11          1HD       LYS  11  -3.549  -8.981   2.570
   71   1HE   LYS  11          2HE       LYS  11  -2.383  -9.484  -0.108
   72   2HE   LYS  11          1HE       LYS  11  -1.979 -10.671   1.132
   73   1HZ   LYS  11          2HZ       LYS  11  -4.644 -10.186   1.488
   74   2HZ   LYS  11          1HZ       LYS  11  -4.461 -10.218  -0.201
   75   3HZ   LYS  11          3HZ       LYS  11  -3.965 -11.546   0.728
   76    H    CYS  12           H        CYS  12  -1.238  -3.612  -0.821
   77    HA   CYS  12           HA       CYS  12  -4.053  -3.150  -0.496
   78   1HB   CYS  12          2HB       CYS  12  -2.171  -1.283  -1.904
   79   2HB   CYS  12          1HB       CYS  12  -3.516  -0.944  -0.859
   80    H    ALA  13           H        ALA  13  -5.501  -3.756  -2.002
   81    HA   ALA  13           HA       ALA  13  -4.672  -4.086  -4.825
   82   1HB   ALA  13          3HB       ALA  13  -6.200  -5.734  -3.593
   83   2HB   ALA  13          2HB       ALA  13  -7.439  -4.481  -3.654
   84   3HB   ALA  13          1HB       ALA  13  -6.796  -5.157  -5.150
   85    H    THR  14           H        THR  14  -6.261  -1.874  -2.727
   86    HA   THR  14           HA       THR  14  -6.544   0.079  -4.905
   87    HB   THR  14           HB       THR  14  -8.723  -0.801  -5.149
   88    HG1  THR  14           HG1      THR  14  -9.714   0.987  -4.713
   89   1HG2  THR  14          1HG2      THR  14  -8.255  -1.704  -2.450
   90   2HG2  THR  14          3HG2      THR  14  -9.834  -0.924  -2.552
   91   3HG2  THR  14          2HG2      THR  14  -9.447  -2.278  -3.615
   92    H    LYS  15           H        LYS  15  -7.370   2.237  -3.817
   93    HA   LYS  15           HA       LYS  15  -5.622   2.826  -1.629
   94   1HB   LYS  15          2HB       LYS  15  -6.736   4.985  -1.535
   95   2HB   LYS  15          1HB       LYS  15  -6.568   4.524  -3.230
   96   1HG   LYS  15          2HG       LYS  15  -8.928   3.505  -2.995
   97   2HG   LYS  15          1HG       LYS  15  -9.044   4.444  -1.506
   98   1HD   LYS  15          2HD       LYS  15  -8.127   5.821  -4.005
   99   2HD   LYS  15          1HD       LYS  15  -9.847   5.482  -3.805
  100   1HE   LYS  15          2HE       LYS  15  -8.252   6.796  -1.609
  101   2HE   LYS  15          1HE       LYS  15  -8.966   7.745  -2.913
  102   1HZ   LYS  15          3HZ       LYS  15 -10.699   5.795  -1.626
  103   2HZ   LYS  15          2HZ       LYS  15 -10.264   7.144  -0.689
  104   3HZ   LYS  15          1HZ       LYS  15 -11.048   7.359  -2.181
  105    H    GLU  16           H        GLU  16  -8.685   1.285  -1.714
  106    HA   GLU  16           HA       GLU  16  -9.662   2.057   0.884
  107   1HB   GLU  16          2HB       GLU  16 -10.134  -0.503  -0.681
  108   2HB   GLU  16          1HB       GLU  16 -11.084   0.043   0.702
  109   1HG   GLU  16          2HG       GLU  16 -10.786   2.072  -1.405
  110   2HG   GLU  16          1HG       GLU  16 -11.664   0.632  -1.922
  111    H    GLU  17           H        GLU  17  -7.786  -0.769  -0.238
  112    HA   GLU  17           HA       GLU  17  -7.363  -1.702   2.505
  113   1HB   GLU  17          2HB       GLU  17  -5.841  -2.591   0.045
  114   2HB   GLU  17          1HB       GLU  17  -6.164  -3.511   1.516
  115   1HG   GLU  17          2HG       GLU  17  -8.628  -2.574   0.280
  116   2HG   GLU  17          1HG       GLU  17  -7.682  -3.565  -0.830
  117    H    CYS  18           H        CYS  18  -5.811   0.396   0.237
  118    HA   CYS  18           HA       CYS  18  -3.133   0.336   1.244
  119   1HB   CYS  18          2HB       CYS  18  -3.942   1.450  -0.873
  120   2HB   CYS  18          1HB       CYS  18  -4.540   2.758   0.137
  121    H    SER  19           H        SER  19  -6.001   2.094   2.180
  122    HA   SER  19           HA       SER  19  -4.610   3.851   4.054
  123   1HB   SER  19          2HB       SER  19  -6.885   4.279   2.909
  124   2HB   SER  19          1HB       SER  19  -7.556   3.185   4.115
  125    HG   SER  19           HG       SER  19  -6.702   5.767   4.359
  126    H    LYS  20           H        LYS  20  -5.233   0.632   4.053
  127    HA   LYS  20           HA       LYS  20  -5.787   0.417   6.943
  128   1HB   LYS  20          2HB       LYS  20  -6.660  -0.955   4.693
  129   2HB   LYS  20          1HB       LYS  20  -5.493  -2.057   5.424
  130   1HG   LYS  20          2HG       LYS  20  -7.042  -0.946   7.541
  131   2HG   LYS  20          1HG       LYS  20  -8.168  -1.465   6.286
  132   1HD   LYS  20          2HD       LYS  20  -7.680  -3.673   6.574
  133   2HD   LYS  20          1HD       LYS  20  -5.968  -3.358   6.867
  134   1HE   LYS  20          2HE       LYS  20  -6.648  -4.019   8.988
  135   2HE   LYS  20          1HE       LYS  20  -6.879  -2.274   9.102
  136   1HZ   LYS  20          2HZ       LYS  20  -9.193  -3.251   7.986
  137   2HZ   LYS  20          1HZ       LYS  20  -8.812  -4.352   9.223
  138   3HZ   LYS  20          3HZ       LYS  20  -8.988  -2.703   9.581
  139    H    THR  21           H        THR  21  -3.284  -0.340   4.532
  140    HA   THR  21           HA       THR  21  -1.580  -1.346   6.753
  141    HB   THR  21           HB       THR  21  -1.765  -2.959   4.961
  142    HG1  THR  21           HG1      THR  21   0.366  -2.380   5.904
  143   1HG2  THR  21          1HG2      THR  21  -1.747  -0.560   3.363
  144   2HG2  THR  21          3HG2      THR  21  -0.518  -1.682   2.780
  145   3HG2  THR  21          2HG2      THR  21  -2.201  -2.199   2.896
  146    H    CYS  22           H        CYS  22  -2.007   1.198   4.599
  147    HA   CYS  22           HA       CYS  22   0.453   2.500   5.640
  148   1HB   CYS  22          2HB       CYS  22  -0.130   3.141   2.808
  149   2HB   CYS  22          1HB       CYS  22   1.419   2.959   3.621
  150    H    THR  23           H        THR  23   0.328   4.908   4.501
  151    HA   THR  23           HA       THR  23  -2.427   5.871   5.111
  152    HB   THR  23           HB       THR  23   0.017   7.610   5.193
  153    HG1  THR  23           HG1      THR  23   0.525   5.933   6.551
  154   1HG2  THR  23          3HG2      THR  23  -2.716   8.027   5.595
  155   2HG2  THR  23          2HG2      THR  23  -2.040   7.971   7.223
  156   3HG2  THR  23          1HG2      THR  23  -1.416   9.129   6.048
  157    H    LYS  24           H        LYS  24  -0.113   5.474   2.753
  158    HA   LYS  24           HA       LYS  24  -1.703   6.948   0.790
  159   1HB   LYS  24          2HB       LYS  24  -0.224   8.658   0.309
  160   2HB   LYS  24          1HB       LYS  24   0.141   8.460   2.016
  161   1HG   LYS  24          2HG       LYS  24   1.972   6.844   1.354
  162   2HG   LYS  24          1HG       LYS  24   1.690   7.314  -0.322
  163   1HD   LYS  24          2HD       LYS  24   2.522   9.140   1.951
  164   2HD   LYS  24          1HD       LYS  24   3.510   8.660   0.571
  165   1HE   LYS  24          2HE       LYS  24   1.800   9.727  -0.935
  166   2HE   LYS  24          1HE       LYS  24   0.991  10.343   0.506
  167   1HZ   LYS  24          2HZ       LYS  24   3.830  10.848   0.431
  168   2HZ   LYS  24          1HZ       LYS  24   2.963  11.615  -0.812
  169   3HZ   LYS  24          3HZ       LYS  24   2.548  11.898   0.809
  170    HA   PRO  25           HA       PRO  25   0.110   4.009  -2.014
  171   1HB   PRO  25          2HB       PRO  25   0.831   5.502  -4.190
  172   2HB   PRO  25          1HB       PRO  25  -0.854   5.141  -3.779
  173   1HG   PRO  25          2HG       PRO  25   0.631   7.705  -3.505
  174   2HG   PRO  25          1HG       PRO  25  -1.110   7.429  -3.670
  175   1HD   PRO  25          1HD       PRO  25   0.280   8.023  -1.272
  176   2HD   PRO  25          2HD       PRO  25  -1.410   7.492  -1.398
  177    H    CYS  26           H        CYS  26   1.850   3.303  -0.938
  178    HA   CYS  26           HA       CYS  26   4.383   4.485  -0.651
  179   1HB   CYS  26          2HB       CYS  26   3.377   1.653  -0.908
  180   2HB   CYS  26          1HB       CYS  26   5.102   1.963  -0.834
  181    H    SER  27           H        SER  27   6.192   2.830  -2.089
  182    HA   SER  27           HA       SER  27   5.900   4.024  -4.749
  183   1HB   SER  27          2HB       SER  27   8.092   3.470  -3.300
  184   2HB   SER  27          1HB       SER  27   8.001   1.977  -4.230
  185    HG   SER  27           HG       SER  27   8.946   4.288  -5.013
  186    H    CYS  28           H        CYS  28   3.974   1.785  -3.764
  187    HA   CYS  28           HA       CYS  28   4.248   0.209  -6.279
  188   1HB   CYS  28          2HB       CYS  28   3.737  -1.878  -4.735
  189   2HB   CYS  28          1HB       CYS  28   5.395  -1.332  -4.998
  190    H    CYS  29           H        CYS  29   2.243   1.144  -3.505
  191    HA   CYS  29           HA       CYS  29  -0.059  -0.329  -4.195
  192   1HB   CYS  29          2HB       CYS  29  -0.242   2.412  -3.051
  193   2HB   CYS  29          1HB       CYS  29  -1.075   0.953  -2.613
  194    HA   PRO  30           HA       PRO  30  -1.873   2.211  -7.423
  195   1HB   PRO  30          2HB       PRO  30  -3.776   3.956  -6.475
  196   2HB   PRO  30          1HB       PRO  30  -4.039   2.209  -6.632
  197   1HG   PRO  30          2HG       PRO  30  -3.460   3.815  -4.167
  198   2HG   PRO  30          1HG       PRO  30  -4.434   2.347  -4.341
  199   1HD   PRO  30          1HD       PRO  30  -1.900   2.466  -3.336
  200   2HD   PRO  30          2HD       PRO  30  -2.642   0.992  -3.982
  201    H    LYS  31           HN       LYS  31  -2.473   4.677  -8.146
  202    HA   LYS  31           HA       LYS  31  -0.215   6.370  -7.155
  203   1HB   LYS  31          2HB       LYS  31  -0.215   7.412  -9.385
  204   2HB   LYS  31          1HB       LYS  31  -0.002   5.666  -9.524
  205   1HG   LYS  31          2HG       LYS  31  -2.773   6.017  -9.540
  206   2HG   LYS  31          1HG       LYS  31  -2.164   7.344 -10.530
  207   1HD   LYS  31          2HD       LYS  31  -1.398   5.949 -12.166
  208   2HD   LYS  31          1HD       LYS  31  -0.889   4.715 -11.013
  209   1HE   LYS  31          2HE       LYS  31  -2.858   3.599 -11.166
  210   2HE   LYS  31          1HE       LYS  31  -3.803   5.088 -11.115
  211   1HZ   LYS  31          3HZ       LYS  31  -2.312   4.842 -13.537
  212   2HZ   LYS  31          2HZ       LYS  31  -3.365   3.527 -13.312
  213   3HZ   LYS  31          1HZ       LYS  31  -3.972   5.113 -13.316
   
  Start of MODEL           4
 Raw file had  213 H/Q atoms
  Start of MODEL    4
    1   1H    SER   1          2H        SER   1  -6.610  -5.769   0.976
    2   2H    SER   1          1H        SER   1  -7.437  -6.280  -0.418
    3   3H    SER   1          3H        SER   1  -6.092  -5.256  -0.559
    4    HA   SER   1           HA       SER   1  -8.128  -3.998  -0.875
    5   1HB   SER   1          2HB       SER   1  -9.778  -5.142   0.336
    6   2HB   SER   1          1HB       SER   1  -8.756  -5.318   1.759
    7    HG   SER   1           HG       SER   1 -10.115  -3.037   0.795
    8    HA   PRO   2           HA       PRO   2  -5.621  -0.897   0.856
    9   1HB   PRO   2          2HB       PRO   2  -7.138   1.184  -0.130
   10   2HB   PRO   2          1HB       PRO   2  -5.892   0.296  -0.991
   11   1HG   PRO   2          2HG       PRO   2  -8.774   0.190  -1.420
   12   2HG   PRO   2          1HG       PRO   2  -7.481  -0.500  -2.411
   13   1HD   PRO   2          1HD       PRO   2  -9.232  -1.846  -0.566
   14   2HD   PRO   2          2HD       PRO   2  -8.006  -2.513  -1.659
   15    H    CYS   3           H        CYS   3  -5.396  -0.033   2.659
   16    HA   CYS   3           HA       CYS   3  -7.442  -0.126   4.650
   17   1HB   CYS   3          2HB       CYS   3  -5.644   1.058   6.025
   18   2HB   CYS   3          1HB       CYS   3  -5.228  -0.495   5.354
   19    H    GLN   4           H        GLN   4  -7.021   2.208   6.115
   20    HA   GLN   4           HA       GLN   4  -8.791   4.026   4.659
   21   1HB   GLN   4          2HB       GLN   4  -9.243   3.522   6.997
   22   2HB   GLN   4          1HB       GLN   4  -7.641   4.098   7.460
   23   1HG   GLN   4          2HG       GLN   4  -8.280   6.248   7.400
   24   2HG   GLN   4          1HG       GLN   4  -9.130   6.036   5.870
   25   1HE2  GLN   4          2HE2      GLN   4 -12.085   6.547   7.796
   26   2HE2  GLN   4          1HE2      GLN   4 -11.033   7.228   6.651
   27    H    LYS   5           H        LYS   5  -5.856   3.741   3.919
   28    HA   LYS   5           HA       LYS   5  -5.300   6.652   3.780
   29   1HB   LYS   5          2HB       LYS   5  -3.860   4.716   5.428
   30   2HB   LYS   5          1HB       LYS   5  -2.809   5.577   4.303
   31   1HG   LYS   5          2HG       LYS   5  -4.349   7.629   5.214
   32   2HG   LYS   5          1HG       LYS   5  -4.300   6.600   6.646
   33   1HD   LYS   5          2HD       LYS   5  -2.167   7.188   7.066
   34   2HD   LYS   5          1HD       LYS   5  -1.679   6.746   5.430
   35   1HE   LYS   5          2HE       LYS   5  -1.255   8.997   5.288
   36   2HE   LYS   5          1HE       LYS   5  -2.971   9.044   4.881
   37   1HZ   LYS   5          3HZ       LYS   5  -3.448   9.390   7.249
   38   2HZ   LYS   5          2HZ       LYS   5  -1.781   9.451   7.571
   39   3HZ   LYS   5          1HZ       LYS   5  -2.505  10.638   6.595
   40    H    CYS   6           H        CYS   6  -5.762   3.983   2.157
   41    HA   CYS   6           HA       CYS   6  -3.456   4.245   0.293
   42   1HB   CYS   6          2HB       CYS   6  -5.042   2.082   1.398
   43   2HB   CYS   6          1HB       CYS   6  -5.024   2.017  -0.354
   44    H    THR   7           H        THR   7  -7.002   4.231   0.495
   45    HA   THR   7           HA       THR   7  -7.649   4.111  -2.205
   46    HB   THR   7           HB       THR   7  -8.927   5.795  -0.047
   47    HG1  THR   7           HG1      THR   7  -9.032   3.570   0.285
   48   1HG2  THR   7          1HG2      THR   7  -9.343   5.885  -2.864
   49   2HG2  THR   7          3HG2      THR   7 -10.740   5.085  -2.144
   50   3HG2  THR   7          2HG2      THR   7 -10.272   6.697  -1.603
   51    H    SER   8           H        SER   8  -7.904   7.313  -0.772
   52    HA   SER   8           HA       SER   8  -6.766   8.378  -3.283
   53   1HB   SER   8          2HB       SER   8  -7.498  10.550  -2.475
   54   2HB   SER   8          1HB       SER   8  -8.815   9.410  -2.217
   55    HG   SER   8           HG       SER   8  -8.459  10.622  -0.347
   56    H    GLY   9           H        GLY   9  -5.183   6.841  -1.223
   57   1HA   GLY   9          2HA       GLY   9  -3.050   8.891  -0.966
   58   2HA   GLY   9          1HA       GLY   9  -3.631   8.179   0.533
   59    H    CYS  10           H        CYS  10  -3.475   6.101  -2.311
   60    HA   CYS  10           HA       CYS  10  -1.782   4.233  -0.981
   61   1HB   CYS  10          2HB       CYS  10  -3.131   3.756  -3.087
   62   2HB   CYS  10          1HB       CYS  10  -1.864   4.592  -3.988
   63    H    LYS  11           H        LYS  11   0.136   4.933  -0.169
   64    HA   LYS  11           HA       LYS  11   1.830   6.673  -1.897
   65   1HB   LYS  11          2HB       LYS  11   1.258   6.681   0.859
   66   2HB   LYS  11          1HB       LYS  11   2.947   6.188   0.718
   67   1HG   LYS  11          2HG       LYS  11   2.331   8.349  -1.126
   68   2HG   LYS  11          1HG       LYS  11   1.959   8.806   0.537
   69   1HD   LYS  11          2HD       LYS  11   4.432   7.407   0.596
   70   2HD   LYS  11          1HD       LYS  11   4.532   8.579  -0.718
   71   1HE   LYS  11          2HE       LYS  11   4.514  10.353   0.702
   72   2HE   LYS  11          1HE       LYS  11   3.280   9.630   1.733
   73   1HZ   LYS  11          3HZ       LYS  11   6.121   8.775   1.694
   74   2HZ   LYS  11          2HZ       LYS  11   5.477   9.880   2.813
   75   3HZ   LYS  11          1HZ       LYS  11   4.919   8.276   2.782
   76    H    CYS  12           H        CYS  12   1.575   3.376  -1.367
   77    HA   CYS  12           HA       CYS  12   4.371   2.794  -1.052
   78   1HB   CYS  12          2HB       CYS  12   2.337   0.856  -2.090
   79   2HB   CYS  12          1HB       CYS  12   3.691   0.603  -1.030
   80    H    ALA  13           H        ALA  13   5.793   3.042  -2.685
   81    HA   ALA  13           HA       ALA  13   4.867   3.034  -5.491
   82   1HB   ALA  13          1HB       ALA  13   6.999   4.264  -4.086
   83   2HB   ALA  13          3HB       ALA  13   7.744   3.107  -5.189
   84   3HB   ALA  13          2HB       ALA  13   6.672   4.358  -5.817
   85    H    THR  14           H        THR  14   6.334   0.984  -3.155
   86    HA   THR  14           HA       THR  14   6.224  -1.308  -4.966
   87    HB   THR  14           HB       THR  14   8.416  -0.851  -5.619
   88    HG1  THR  14           HG1      THR  14   9.798  -2.026  -4.033
   89   1HG2  THR  14          3HG2      THR  14   8.907   0.239  -2.833
   90   2HG2  THR  14          2HG2      THR  14  10.084   0.222  -4.147
   91   3HG2  THR  14          1HG2      THR  14   8.625   1.205  -4.281
   92    H    LYS  15           H        LYS  15   7.183  -3.293  -3.527
   93    HA   LYS  15           HA       LYS  15   5.565  -3.361  -1.160
   94   1HB   LYS  15          2HB       LYS  15   6.628  -5.506  -0.706
   95   2HB   LYS  15          1HB       LYS  15   6.307  -5.386  -2.436
   96   1HG   LYS  15          2HG       LYS  15   8.499  -5.563  -2.916
   97   2HG   LYS  15          1HG       LYS  15   8.894  -4.248  -1.809
   98   1HD   LYS  15          2HD       LYS  15  10.016  -6.330  -1.118
   99   2HD   LYS  15          1HD       LYS  15   8.829  -5.831   0.089
  100   1HE   LYS  15          2HE       LYS  15   7.253  -7.466  -0.642
  101   2HE   LYS  15          1HE       LYS  15   8.165  -7.790  -2.116
  102   1HZ   LYS  15          3HZ       LYS  15   9.157  -8.319   0.631
  103   2HZ   LYS  15          2HZ       LYS  15   8.482  -9.494  -0.394
  104   3HZ   LYS  15          1HZ       LYS  15   9.936  -8.724  -0.819
  105    H    GLU  16           H        GLU  16   8.672  -2.041  -1.758
  106    HA   GLU  16           HA       GLU  16   9.747  -2.313   0.919
  107   1HB   GLU  16          2HB       GLU  16  10.751  -1.463  -1.510
  108   2HB   GLU  16          1HB       GLU  16  10.620   0.046  -0.604
  109   1HG   GLU  16          2HG       GLU  16  11.919  -0.888   1.230
  110   2HG   GLU  16          1HG       GLU  16  11.957  -2.465   0.441
  111    H    GLU  17           H        GLU  17   7.881   0.175  -0.785
  112    HA   GLU  17           HA       GLU  17   7.806   1.902   1.600
  113   1HB   GLU  17          2HB       GLU  17   6.089   2.221  -0.859
  114   2HB   GLU  17          1HB       GLU  17   6.688   3.472   0.229
  115   1HG   GLU  17          2HG       GLU  17   8.626   1.775  -1.324
  116   2HG   GLU  17          1HG       GLU  17   7.841   3.150  -2.096
  117    H    CYS  18           H        CYS  18   6.012  -0.638   0.152
  118    HA   CYS  18           HA       CYS  18   3.400  -0.161   1.211
  119   1HB   CYS  18          2HB       CYS  18   4.140  -1.894  -0.509
  120   2HB   CYS  18          1HB       CYS  18   4.660  -2.868   0.854
  121    H    SER  19           H        SER  19   6.278  -1.601   2.546
  122    HA   SER  19           HA       SER  19   5.001  -2.751   4.876
  123   1HB   SER  19          2HB       SER  19   7.809  -2.175   4.035
  124   2HB   SER  19          1HB       SER  19   7.508  -2.417   5.754
  125    HG   SER  19           HG       SER  19   7.257  -4.183   3.605
  126    H    LYS  20           H        LYS  20   5.418   0.410   3.948
  127    HA   LYS  20           HA       LYS  20   5.922   1.534   6.586
  128   1HB   LYS  20          2HB       LYS  20   6.863   2.459   4.463
  129   2HB   LYS  20          1HB       LYS  20   5.219   2.858   3.959
  130   1HG   LYS  20          2HG       LYS  20   4.997   4.536   5.509
  131   2HG   LYS  20          1HG       LYS  20   6.100   3.768   6.652
  132   1HD   LYS  20          2HD       LYS  20   7.773   4.273   4.540
  133   2HD   LYS  20          1HD       LYS  20   6.683   5.659   4.463
  134   1HE   LYS  20          2HE       LYS  20   7.980   4.778   7.047
  135   2HE   LYS  20          1HE       LYS  20   8.750   5.928   5.953
  136   1HZ   LYS  20          2HZ       LYS  20   6.523   7.150   6.070
  137   2HZ   LYS  20          1HZ       LYS  20   6.229   6.215   7.458
  138   3HZ   LYS  20          3HZ       LYS  20   7.563   7.261   7.409
  139    H    THR  21           H        THR  21   3.264   1.733   4.155
  140    HA   THR  21           HA       THR  21   1.497   2.718   6.311
  141    HB   THR  21           HB       THR  21   1.220   4.053   4.392
  142    HG1  THR  21           HG1      THR  21  -0.820   3.690   4.807
  143   1HG2  THR  21          1HG2      THR  21   1.685   1.470   3.001
  144   2HG2  THR  21          3HG2      THR  21   0.624   2.621   2.189
  145   3HG2  THR  21          2HG2      THR  21   2.273   3.086   2.606
  146    H    CYS  22           H        CYS  22   2.195  -0.114   4.655
  147    HA   CYS  22           HA       CYS  22   0.032  -1.517   6.099
  148   1HB   CYS  22          2HB       CYS  22   0.205  -2.611   3.403
  149   2HB   CYS  22          1HB       CYS  22  -1.221  -2.153   4.325
  150    H    THR  23           H        THR  23   0.307  -4.015   5.129
  151    HA   THR  23           HA       THR  23   3.222  -4.608   5.368
  152    HB   THR  23           HB       THR  23   0.988  -6.350   6.398
  153    HG1  THR  23           HG1      THR  23   0.845  -4.786   7.818
  154   1HG2  THR  23          3HG2      THR  23   3.173  -7.430   5.919
  155   2HG2  THR  23          2HG2      THR  23   3.958  -6.283   7.005
  156   3HG2  THR  23          1HG2      THR  23   2.794  -7.445   7.641
  157    H    LYS  24           H        LYS  24   0.468  -4.846   3.546
  158    HA   LYS  24           HA       LYS  24   1.717  -6.793   1.708
  159   1HB   LYS  24          2HB       LYS  24  -0.813  -7.705   1.558
  160   2HB   LYS  24          1HB       LYS  24   0.358  -8.391   2.683
  161   1HG   LYS  24          2HG       LYS  24  -0.663  -7.464   4.514
  162   2HG   LYS  24          1HG       LYS  24  -1.129  -6.004   3.641
  163   1HD   LYS  24          2HD       LYS  24  -2.443  -8.518   2.765
  164   2HD   LYS  24          1HD       LYS  24  -2.904  -7.918   4.358
  165   1HE   LYS  24          2HE       LYS  24  -3.247  -5.641   3.250
  166   2HE   LYS  24          1HE       LYS  24  -3.111  -6.480   1.705
  167   1HZ   LYS  24          2HZ       LYS  24  -4.862  -8.042   2.923
  168   2HZ   LYS  24          1HZ       LYS  24  -5.238  -6.573   3.690
  169   3HZ   LYS  24          3HZ       LYS  24  -5.324  -6.692   2.001
  170    HA   PRO  25           HA       PRO  25  -0.108  -4.215  -1.399
  171   1HB   PRO  25          2HB       PRO  25  -0.838  -6.068  -3.284
  172   2HB   PRO  25          1HB       PRO  25   0.841  -5.584  -2.993
  173   1HG   PRO  25          2HG       PRO  25  -0.549  -8.107  -2.212
  174   2HG   PRO  25          1HG       PRO  25   1.168  -7.830  -2.553
  175   1HD   PRO  25          1HD       PRO  25   0.037  -8.072   0.010
  176   2HD   PRO  25          2HD       PRO  25   1.639  -7.397  -0.347
  177    H    CYS  26           H        CYS  26  -1.849  -3.361  -0.431
  178    HA   CYS  26           HA       CYS  26  -4.348  -4.564   0.100
  179   1HB   CYS  26          2HB       CYS  26  -3.496  -1.746  -0.640
  180   2HB   CYS  26          1HB       CYS  26  -5.174  -2.148  -0.323
  181    H    SER  27           H        SER  27  -6.155  -3.021  -1.608
  182    HA   SER  27           HA       SER  27  -5.892  -4.669  -4.028
  183   1HB   SER  27          2HB       SER  27  -8.104  -4.070  -2.821
  184   2HB   SER  27          1HB       SER  27  -7.955  -2.507  -3.618
  185    HG   SER  27           HG       SER  27  -9.163  -4.115  -4.811
  186    H    CYS  28           H        CYS  28  -4.013  -2.243  -3.314
  187    HA   CYS  28           HA       CYS  28  -4.214  -1.100  -6.077
  188   1HB   CYS  28          2HB       CYS  28  -3.639   1.172  -4.880
  189   2HB   CYS  28          1HB       CYS  28  -5.315   0.628  -5.005
  190    H    CYS  29           H        CYS  29  -2.178  -1.640  -3.201
  191    HA   CYS  29           HA       CYS  29   0.122  -0.319  -4.149
  192   1HB   CYS  29          2HB       CYS  29   0.297  -2.861  -2.604
  193   2HB   CYS  29          1HB       CYS  29   1.173  -1.373  -2.419
  194    HA   PRO  30           HA       PRO  30   1.852  -3.301  -7.001
  195   1HB   PRO  30          2HB       PRO  30   3.693  -4.993  -5.851
  196   2HB   PRO  30          1HB       PRO  30   4.025  -3.296  -6.245
  197   1HG   PRO  30          2HG       PRO  30   3.409  -4.525  -3.577
  198   2HG   PRO  30          1HG       PRO  30   4.459  -3.151  -3.959
  199   1HD   PRO  30          1HD       PRO  30   1.953  -2.973  -2.920
  200   2HD   PRO  30          2HD       PRO  30   2.741  -1.658  -3.809
  201    H    LYS  31           HN       LYS  31   2.293  -5.858  -7.436
  202    HA   LYS  31           HA       LYS  31  -0.083  -7.252  -6.286
  203   1HB   LYS  31          2HB       LYS  31   0.084  -8.705  -8.318
  204   2HB   LYS  31          1HB       LYS  31  -0.190  -7.007  -8.707
  205   1HG   LYS  31          2HG       LYS  31   2.239  -6.711  -9.089
  206   2HG   LYS  31          1HG       LYS  31   2.494  -8.420  -8.735
  207   1HD   LYS  31          2HD       LYS  31   0.398  -8.001 -10.729
  208   2HD   LYS  31          1HD       LYS  31   1.954  -7.347 -11.243
  209   1HE   LYS  31          2HE       LYS  31   2.967  -9.414 -11.286
  210   2HE   LYS  31          1HE       LYS  31   1.966 -10.046  -9.979
  211   1HZ   LYS  31          3HZ       LYS  31   0.180  -9.556 -11.957
  212   2HZ   LYS  31          2HZ       LYS  31   1.533 -10.123 -12.814
  213   3HZ   LYS  31          1HZ       LYS  31   0.844 -11.072 -11.585
   
  Start of MODEL           5
 Raw file had  213 H/Q atoms
  Start of MODEL    5
    1   1H    SER   1          2H        SER   1  -4.901   7.938   0.362
    2   2H    SER   1          1H        SER   1  -5.965   8.709   1.438
    3   3H    SER   1          3H        SER   1  -5.100   7.340   1.940
    4    HA   SER   1           HA       SER   1  -7.232   6.522   1.519
    5   1HB   SER   1          2HB       SER   1  -7.154   7.971  -1.146
    6   2HB   SER   1          1HB       SER   1  -8.528   7.139  -0.423
    7    HG   SER   1           HG       SER   1  -7.267   9.542   0.372
    8    HA   PRO   2           HA       PRO   2  -4.885   3.452  -0.535
    9   1HB   PRO   2          2HB       PRO   2  -6.332   1.386   0.539
   10   2HB   PRO   2          1HB       PRO   2  -4.958   2.203   1.284
   11   1HG   PRO   2          2HG       PRO   2  -7.782   2.382   2.039
   12   2HG   PRO   2          1HG       PRO   2  -6.358   2.938   2.926
   13   1HD   PRO   2          1HD       PRO   2  -8.213   4.496   1.374
   14   2HD   PRO   2          2HD       PRO   2  -6.832   5.034   2.347
   15    H    CYS   3           H        CYS   3  -4.992   2.192  -2.251
   16    HA   CYS   3           HA       CYS   3  -7.045   2.828  -4.110
   17   1HB   CYS   3          2HB       CYS   3  -5.820   1.164  -5.572
   18   2HB   CYS   3          1HB       CYS   3  -4.881   2.501  -4.958
   19    H    GLN   4           H        GLN   4  -7.570   0.653  -5.563
   20    HA   GLN   4           HA       GLN   4  -9.797  -0.506  -4.108
   21   1HB   GLN   4          2HB       GLN   4 -10.045  -1.821  -6.289
   22   2HB   GLN   4          1HB       GLN   4 -10.163  -0.064  -6.388
   23   1HG   GLN   4          2HG       GLN   4  -8.255   0.116  -7.609
   24   2HG   GLN   4          1HG       GLN   4  -7.419  -1.096  -6.638
   25   1HE2  GLN   4          2HE2      GLN   4  -9.725  -2.440  -9.779
   26   2HE2  GLN   4          1HE2      GLN   4 -10.183  -1.017  -8.976
   27    H    LYS   5           H        LYS   5  -6.777  -1.366  -3.632
   28    HA   LYS   5           HA       LYS   5  -7.506  -4.226  -3.242
   29   1HB   LYS   5          2HB       LYS   5  -5.317  -3.141  -4.939
   30   2HB   LYS   5          1HB       LYS   5  -4.954  -4.568  -3.968
   31   1HG   LYS   5          2HG       LYS   5  -7.540  -4.632  -5.417
   32   2HG   LYS   5          1HG       LYS   5  -6.098  -4.694  -6.431
   33   1HD   LYS   5          2HD       LYS   5  -6.296  -6.944  -5.981
   34   2HD   LYS   5          1HD       LYS   5  -5.351  -6.472  -4.567
   35   1HE   LYS   5          2HE       LYS   5  -7.196  -6.550  -3.142
   36   2HE   LYS   5          1HE       LYS   5  -8.350  -6.319  -4.457
   37   1HZ   LYS   5          1HZ       LYS   5  -6.669  -8.745  -4.169
   38   2HZ   LYS   5          3HZ       LYS   5  -8.237  -8.621  -3.535
   39   3HZ   LYS   5          2HZ       LYS   5  -7.991  -8.516  -5.213
   40    H    CYS   6           H        CYS   6  -6.531  -1.491  -1.864
   41    HA   CYS   6           HA       CYS   6  -4.458  -2.632  -0.094
   42   1HB   CYS   6          2HB       CYS   6  -5.248  -0.027  -1.086
   43   2HB   CYS   6          1HB       CYS   6  -5.115  -0.002   0.663
   44    H    THR   7           H        THR   7  -7.834  -1.669  -0.132
   45    HA   THR   7           HA       THR   7  -8.290  -1.318   2.612
   46    HB   THR   7           HB       THR   7 -10.056  -2.571   0.510
   47    HG1  THR   7           HG1      THR   7 -10.210  -0.541   0.052
   48   1HG2  THR   7          2HG2      THR   7 -10.455  -2.212   3.435
   49   2HG2  THR   7          1HG2      THR   7 -11.806  -1.768   2.391
   50   3HG2  THR   7          3HG2      THR   7 -11.154  -3.406   2.341
   51    H    SER   8           H        SER   8  -9.559  -4.290   1.293
   52    HA   SER   8           HA       SER   8  -8.556  -5.664   3.709
   53   1HB   SER   8          2HB       SER   8  -9.991  -7.496   3.027
   54   2HB   SER   8          1HB       SER   8 -10.912  -6.008   2.829
   55    HG   SER   8           HG       SER   8 -11.054  -7.354   0.987
   56    H    GLY   9           H        GLY   9  -6.735  -4.657   1.564
   57   1HA   GLY   9          2HA       GLY   9  -5.395  -7.268   1.090
   58   2HA   GLY   9          1HA       GLY   9  -5.821  -6.340  -0.341
   59    H    CYS  10           H        CYS  10  -4.850  -4.446   2.443
   60    HA   CYS  10           HA       CYS  10  -2.730  -3.195   1.056
   61   1HB   CYS  10          2HB       CYS  10  -3.670  -2.462   3.312
   62   2HB   CYS  10          1HB       CYS  10  -2.653  -3.709   4.040
   63    H    LYS  11           H        LYS  11  -1.351  -4.575  -0.031
   64    HA   LYS  11           HA       LYS  11  -0.145  -6.826   1.475
   65   1HB   LYS  11          2HB       LYS  11  -0.803  -6.336  -1.266
   66   2HB   LYS  11          1HB       LYS  11   0.927  -6.662  -1.152
   67   1HG   LYS  11          2HG       LYS  11   0.158  -8.836  -1.252
   68   2HG   LYS  11          1HG       LYS  11   0.066  -8.589   0.492
   69   1HD   LYS  11          2HD       LYS  11  -2.297  -7.995   0.321
   70   2HD   LYS  11          1HD       LYS  11  -2.227  -8.124  -1.437
   71   1HE   LYS  11          2HE       LYS  11  -2.853 -10.279  -1.153
   72   2HE   LYS  11          1HE       LYS  11  -1.205 -10.558  -0.590
   73   1HZ   LYS  11          1HZ       LYS  11  -1.953 -10.000   1.662
   74   2HZ   LYS  11          3HZ       LYS  11  -3.543  -9.843   1.092
   75   3HZ   LYS  11          2HZ       LYS  11  -2.767 -11.353   1.034
   76    H    CYS  12           H        CYS  12   0.673  -3.583   1.033
   77    HA   CYS  12           HA       CYS  12   3.478  -3.924   0.551
   78   1HB   CYS  12          2HB       CYS  12   2.239  -1.515   1.841
   79   2HB   CYS  12          1HB       CYS  12   3.567  -1.628   0.728
   80    H    ALA  13           H        ALA  13   4.817  -4.772   2.054
   81    HA   ALA  13           HA       ALA  13   4.099  -4.747   4.907
   82   1HB   ALA  13          3HB       ALA  13   6.183  -6.033   3.211
   83   2HB   ALA  13          2HB       ALA  13   6.635  -5.695   4.882
   84   3HB   ALA  13          1HB       ALA  13   5.238  -6.713   4.535
   85    H    THR  14           H        THR  14   6.042  -2.996   2.655
   86    HA   THR  14           HA       THR  14   6.602  -0.914   4.636
   87    HB   THR  14           HB       THR  14   9.091  -1.538   3.266
   88    HG1  THR  14           HG1      THR  14   8.417  -3.440   5.200
   89   1HG2  THR  14          1HG2      THR  14   8.823  -0.062   5.241
   90   2HG2  THR  14          3HG2      THR  14   8.342  -1.460   6.203
   91   3HG2  THR  14          2HG2      THR  14   9.976  -1.362   5.545
   92    H    LYS  15           H        LYS  15   8.191   0.751   3.249
   93    HA   LYS  15           HA       LYS  15   6.555   1.534   1.010
   94   1HB   LYS  15          2HB       LYS  15   9.255   2.433   2.030
   95   2HB   LYS  15          1HB       LYS  15   8.549   3.110   0.561
   96   1HG   LYS  15          2HG       LYS  15   6.471   3.625   1.912
   97   2HG   LYS  15          1HG       LYS  15   7.382   3.174   3.354
   98   1HD   LYS  15          2HD       LYS  15   7.554   5.569   3.112
   99   2HD   LYS  15          1HD       LYS  15   9.120   4.880   2.683
  100   1HE   LYS  15          2HE       LYS  15   7.516   4.924   0.323
  101   2HE   LYS  15          1HE       LYS  15   7.410   6.515   1.075
  102   1HZ   LYS  15          3HZ       LYS  15   9.968   6.185   1.327
  103   2HZ   LYS  15          2HZ       LYS  15   9.761   5.101   0.035
  104   3HZ   LYS  15          1HZ       LYS  15   9.316   6.731  -0.141
  105    H    GLU  16           H        GLU  16   9.223  -0.632   1.348
  106    HA   GLU  16           HA       GLU  16  10.207  -0.525  -1.359
  107   1HB   GLU  16          2HB       GLU  16  10.462  -2.375   0.960
  108   2HB   GLU  16          1HB       GLU  16  10.773  -3.064  -0.634
  109   1HG   GLU  16          2HG       GLU  16  12.295  -1.046  -1.047
  110   2HG   GLU  16          1HG       GLU  16  12.166  -0.727   0.683
  111    H    GLU  17           H        GLU  17   7.774  -2.536   0.278
  112    HA   GLU  17           HA       GLU  17   7.080  -3.944  -2.199
  113   1HB   GLU  17          2HB       GLU  17   5.263  -3.933   0.175
  114   2HB   GLU  17          1HB       GLU  17   5.723  -5.274  -0.871
  115   1HG   GLU  17          2HG       GLU  17   7.369  -3.991   1.321
  116   2HG   GLU  17          1HG       GLU  17   6.795  -5.655   1.240
  117    H    CYS  18           H        CYS  18   6.126  -1.108  -0.486
  118    HA   CYS  18           HA       CYS  18   3.488  -0.679  -1.481
  119   1HB   CYS  18          2HB       CYS  18   4.763   0.596   0.307
  120   2HB   CYS  18          1HB       CYS  18   5.553   1.457  -0.996
  121    H    SER  19           H        SER  19   6.619  -0.239  -2.876
  122    HA   SER  19           HA       SER  19   5.823   1.554  -5.011
  123   1HB   SER  19          2HB       SER  19   8.197  -0.323  -4.808
  124   2HB   SER  19          1HB       SER  19   8.004   0.933  -6.028
  125    HG   SER  19           HG       SER  19   9.241   1.425  -4.010
  126    H    LYS  20           H        LYS  20   5.090  -1.623  -4.428
  127    HA   LYS  20           HA       LYS  20   5.020  -2.431  -7.254
  128   1HB   LYS  20          2HB       LYS  20   5.824  -3.758  -5.094
  129   2HB   LYS  20          1HB       LYS  20   4.109  -4.166  -5.011
  130   1HG   LYS  20          2HG       LYS  20   4.455  -4.626  -7.603
  131   2HG   LYS  20          1HG       LYS  20   6.128  -4.865  -7.096
  132   1HD   LYS  20          2HD       LYS  20   5.638  -6.879  -6.214
  133   2HD   LYS  20          1HD       LYS  20   4.323  -6.189  -5.262
  134   1HE   LYS  20          2HE       LYS  20   2.824  -7.151  -6.634
  135   2HE   LYS  20          1HE       LYS  20   3.487  -6.241  -7.991
  136   1HZ   LYS  20          3HZ       LYS  20   5.230  -7.979  -8.159
  137   2HZ   LYS  20          2HZ       LYS  20   4.389  -8.884  -6.992
  138   3HZ   LYS  20          1HZ       LYS  20   3.666  -8.544  -8.491
  139    H    THR  21           H        THR  21   2.807  -1.908  -4.486
  140    HA   THR  21           HA       THR  21   0.531  -2.423  -6.315
  141    HB   THR  21           HB       THR  21  -0.847  -2.640  -4.352
  142    HG1  THR  21           HG1      THR  21   1.441  -1.675  -2.983
  143   1HG2  THR  21          3HG2      THR  21   1.230  -4.327  -4.916
  144   2HG2  THR  21          2HG2      THR  21   1.549  -3.942  -3.224
  145   3HG2  THR  21          1HG2      THR  21   0.001  -4.645  -3.692
  146    H    CYS  22           H        CYS  22   2.188   0.072  -4.784
  147    HA   CYS  22           HA       CYS  22   0.364   2.059  -5.979
  148   1HB   CYS  22          2HB       CYS  22   1.067   2.880  -3.255
  149   2HB   CYS  22          1HB       CYS  22  -0.488   2.954  -4.077
  150    H    THR  23           H        THR  23   1.390   4.360  -5.052
  151    HA   THR  23           HA       THR  23   4.312   4.125  -5.600
  152    HB   THR  23           HB       THR  23   2.580   6.512  -6.220
  153    HG1  THR  23           HG1      THR  23   1.892   4.700  -7.420
  154   1HG2  THR  23          2HG2      THR  23   5.417   5.787  -6.522
  155   2HG2  THR  23          1HG2      THR  23   4.690   6.468  -7.978
  156   3HG2  THR  23          3HG2      THR  23   4.663   7.380  -6.468
  157    H    LYS  24           H        LYS  24   1.979   4.984  -3.401
  158    HA   LYS  24           HA       LYS  24   3.984   6.272  -1.658
  159   1HB   LYS  24          2HB       LYS  24   1.412   7.705  -1.605
  160   2HB   LYS  24          1HB       LYS  24   3.053   8.346  -1.599
  161   1HG   LYS  24          2HG       LYS  24   3.219   7.970  -4.031
  162   2HG   LYS  24          1HG       LYS  24   1.580   7.316  -4.044
  163   1HD   LYS  24          2HD       LYS  24   1.136   9.518  -4.615
  164   2HD   LYS  24          1HD       LYS  24   1.015   9.624  -2.859
  165   1HE   LYS  24          2HE       LYS  24   2.424  11.439  -3.571
  166   2HE   LYS  24          1HE       LYS  24   3.474  10.234  -2.827
  167   1HZ   LYS  24          1HZ       LYS  24   2.964  10.101  -5.715
  168   2HZ   LYS  24          3HZ       LYS  24   4.071  11.244  -5.129
  169   3HZ   LYS  24          2HZ       LYS  24   4.325   9.590  -4.835
  170    HA   PRO  25           HA       PRO  25   1.662   4.373   1.615
  171   1HB   PRO  25          2HB       PRO  25   1.499   6.341   3.511
  172   2HB   PRO  25          1HB       PRO  25   3.002   5.481   3.136
  173   1HG   PRO  25          2HG       PRO  25   2.206   8.262   2.425
  174   2HG   PRO  25          1HG       PRO  25   3.826   7.579   2.638
  175   1HD   PRO  25          1HD       PRO  25   2.554   8.100   0.169
  176   2HD   PRO  25          2HD       PRO  25   4.023   7.129   0.397
  177    H    CYS  26           H        CYS  26  -0.295   4.026   0.664
  178    HA   CYS  26           HA       CYS  26  -2.426   5.845   0.309
  179   1HB   CYS  26          2HB       CYS  26  -2.226   2.884   0.874
  180   2HB   CYS  26          1HB       CYS  26  -3.800   3.661   0.824
  181    H    SER  27           H        SER  27  -4.507   4.896   2.046
  182    HA   SER  27           HA       SER  27  -3.647   6.237   4.516
  183   1HB   SER  27          2HB       SER  27  -5.995   6.362   3.357
  184   2HB   SER  27          1HB       SER  27  -6.299   4.855   4.213
  185    HG   SER  27           HG       SER  27  -5.129   6.686   5.830
  186    H    CYS  28           H        CYS  28  -2.510   3.486   3.716
  187    HA   CYS  28           HA       CYS  28  -2.969   2.290   6.398
  188   1HB   CYS  28          2HB       CYS  28  -3.265   0.014   5.110
  189   2HB   CYS  28          1HB       CYS  28  -4.654   1.069   5.384
  190    H    CYS  29           H        CYS  29  -1.050   2.372   3.414
  191    HA   CYS  29           HA       CYS  29   0.745   0.300   4.075
  192   1HB   CYS  29          2HB       CYS  29   1.589   2.783   2.640
  193   2HB   CYS  29          1HB       CYS  29   1.988   1.122   2.332
  194    HA   PRO  30           HA       PRO  30   3.564   2.362   6.892
  195   1HB   PRO  30          2HB       PRO  30   5.714   3.589   5.698
  196   2HB   PRO  30          1HB       PRO  30   5.560   1.832   5.878
  197   1HG   PRO  30          2HG       PRO  30   5.153   3.516   3.436
  198   2HG   PRO  30          1HG       PRO  30   5.711   1.840   3.558
  199   1HD   PRO  30          1HD       PRO  30   3.193   2.663   2.834
  200   2HD   PRO  30          2HD       PRO  30   3.598   1.026   3.379
  201    H    LYS  31           HN       LYS  31   3.972   4.352   8.039
  202    HA   LYS  31           HA       LYS  31   2.259   6.540   7.367
  203   1HB   LYS  31          2HB       LYS  31   4.616   6.392   9.273
  204   2HB   LYS  31          1HB       LYS  31   3.469   7.731   9.209
  205   1HG   LYS  31          2HG       LYS  31   1.721   5.695   9.405
  206   2HG   LYS  31          1HG       LYS  31   3.094   4.959  10.232
  207   1HD   LYS  31          2HD       LYS  31   3.246   6.927  11.723
  208   2HD   LYS  31          1HD       LYS  31   1.854   7.643  10.909
  209   1HE   LYS  31          2HE       LYS  31   1.384   4.887  11.800
  210   2HE   LYS  31          1HE       LYS  31   1.722   6.000  13.125
  211   1HZ   LYS  31          1HZ       LYS  31   0.021   7.325  11.388
  212   2HZ   LYS  31          3HZ       LYS  31  -0.619   5.764  11.564
  213   3HZ   LYS  31          2HZ       LYS  31  -0.344   6.727  12.936
   
  Start of MODEL           6
 Raw file had  213 H/Q atoms
  Start of MODEL    6
    1   1H    SER   1          1H        SER   1  -5.475   6.139   1.636
    2   2H    SER   1          3H        SER   1  -6.071   7.375   0.638
    3   3H    SER   1          2H        SER   1  -6.704   7.168   2.200
    4    HA   SER   1           HA       SER   1  -7.844   5.226   1.644
    5   1HB   SER   1          2HB       SER   1  -9.156   5.863  -0.333
    6   2HB   SER   1          1HB       SER   1  -8.836   7.287   0.653
    7    HG   SER   1           HG       SER   1  -8.400   7.688  -1.545
    8    HA   PRO   2           HA       PRO   2  -5.286   2.535  -0.651
    9   1HB   PRO   2          2HB       PRO   2  -6.678   0.290   0.075
   10   2HB   PRO   2          1HB       PRO   2  -5.372   1.057   0.976
   11   1HG   PRO   2          2HG       PRO   2  -8.244   1.053   1.601
   12   2HG   PRO   2          1HG       PRO   2  -6.882   1.494   2.639
   13   1HD   PRO   2          1HD       PRO   2  -8.701   3.238   1.290
   14   2HD   PRO   2          2HD       PRO   2  -7.320   3.653   2.325
   15    H    CYS   3           H        CYS   3  -5.198   1.473  -2.431
   16    HA   CYS   3           HA       CYS   3  -7.193   2.124  -4.384
   17   1HB   CYS   3          2HB       CYS   3  -5.621   0.829  -5.900
   18   2HB   CYS   3          1HB       CYS   3  -4.929   2.187  -5.054
   19    H    GLN   4           H        GLN   4  -7.166  -0.068  -6.064
   20    HA   GLN   4           HA       GLN   4  -9.254  -1.690  -4.791
   21   1HB   GLN   4          2HB       GLN   4  -9.397  -2.719  -7.083
   22   2HB   GLN   4          1HB       GLN   4  -9.665  -0.978  -7.022
   23   1HG   GLN   4          2HG       GLN   4  -7.456  -0.521  -7.832
   24   2HG   GLN   4          1HG       GLN   4  -6.967  -2.203  -7.627
   25   1HE2  GLN   4          2HE2      GLN   4  -9.319  -3.116 -10.418
   26   2HE2  GLN   4          1HE2      GLN   4  -9.251  -3.497  -8.766
   27    H    LYS   5           H        LYS   5  -6.270  -2.023  -4.193
   28    HA   LYS   5           HA       LYS   5  -6.314  -5.002  -4.298
   29   1HB   LYS   5          2HB       LYS   5  -4.198  -3.169  -5.386
   30   2HB   LYS   5          1HB       LYS   5  -3.770  -4.776  -4.799
   31   1HG   LYS   5          2HG       LYS   5  -4.663  -5.786  -6.618
   32   2HG   LYS   5          1HG       LYS   5  -6.130  -4.811  -6.527
   33   1HD   LYS   5          2HD       LYS   5  -5.234  -4.050  -8.532
   34   2HD   LYS   5          1HD       LYS   5  -4.531  -2.893  -7.400
   35   1HE   LYS   5          2HE       LYS   5  -3.112  -5.464  -8.093
   36   2HE   LYS   5          1HE       LYS   5  -2.931  -4.021  -9.090
   37   1HZ   LYS   5          3HZ       LYS   5  -2.380  -4.189  -6.176
   38   2HZ   LYS   5          2HZ       LYS   5  -1.207  -4.156  -7.404
   39   3HZ   LYS   5          1HZ       LYS   5  -2.200  -2.804  -7.138
   40    H    CYS   6           H        CYS   6  -6.195  -2.399  -2.435
   41    HA   CYS   6           HA       CYS   6  -4.090  -3.354  -0.559
   42   1HB   CYS   6          2HB       CYS   6  -5.210  -0.807  -1.423
   43   2HB   CYS   6          1HB       CYS   6  -5.189  -0.942   0.322
   44    H    THR   7           H        THR   7  -7.561  -2.930  -0.926
   45    HA   THR   7           HA       THR   7  -8.395  -2.715   1.710
   46    HB   THR   7           HB       THR   7  -9.672  -4.411  -0.442
   47    HG1  THR   7           HG1      THR   7  -9.534  -1.703   0.089
   48   1HG2  THR   7          1HG2      THR   7 -10.422  -3.750   2.325
   49   2HG2  THR   7          3HG2      THR   7 -11.682  -3.411   1.139
   50   3HG2  THR   7          2HG2      THR   7 -11.014  -5.038   1.275
   51    H    SER   8           H        SER   8  -9.071  -5.893   0.482
   52    HA   SER   8           HA       SER   8  -7.934  -6.958   2.995
   53   1HB   SER   8          2HB       SER   8  -8.828  -9.164   1.777
   54   2HB   SER   8          1HB       SER   8  -9.931  -8.081   2.622
   55    HG   SER   8           HG       SER   8  -9.829  -8.715   0.017
   56    H    GLY   9           H        GLY   9  -6.257  -5.781   0.843
   57   1HA   GLY   9          2HA       GLY   9  -4.538  -8.189   0.456
   58   2HA   GLY   9          1HA       GLY   9  -4.989  -7.265  -0.972
   59    H    CYS  10           H        CYS  10  -4.499  -5.330   1.880
   60    HA   CYS  10           HA       CYS  10  -2.448  -3.784   0.716
   61   1HB   CYS  10          2HB       CYS  10  -3.674  -3.228   2.876
   62   2HB   CYS  10          1HB       CYS  10  -2.593  -4.365   3.686
   63    H    LYS  11           H        LYS  11  -0.664  -4.733  -0.151
   64    HA   LYS  11           HA       LYS  11   0.666  -6.863   1.475
   65   1HB   LYS  11          2HB       LYS  11   1.781  -7.512  -0.646
   66   2HB   LYS  11          1HB       LYS  11   0.023  -7.577  -0.760
   67   1HG   LYS  11          2HG       LYS  11  -0.072  -5.515  -1.962
   68   2HG   LYS  11          1HG       LYS  11   1.617  -5.151  -1.606
   69   1HD   LYS  11          2HD       LYS  11   0.721  -7.548  -3.228
   70   2HD   LYS  11          1HD       LYS  11   1.229  -6.017  -3.942
   71   1HE   LYS  11          2HE       LYS  11   3.172  -6.844  -1.984
   72   2HE   LYS  11          1HE       LYS  11   2.883  -8.166  -3.115
   73   1HZ   LYS  11          1HZ       LYS  11   2.986  -5.890  -4.653
   74   2HZ   LYS  11          3HZ       LYS  11   4.250  -5.712  -3.537
   75   3HZ   LYS  11          2HZ       LYS  11   4.182  -7.089  -4.529
   76    H    CYS  12           H        CYS  12   1.077  -3.582   1.037
   77    HA   CYS  12           HA       CYS  12   3.907  -3.531   0.555
   78   1HB   CYS  12          2HB       CYS  12   2.362  -1.334   1.889
   79   2HB   CYS  12          1HB       CYS  12   3.677  -1.247   0.761
   80    H    ALA  13           H        ALA  13   5.373  -4.159   2.057
   81    HA   ALA  13           HA       ALA  13   4.627  -4.192   4.921
   82   1HB   ALA  13          3HB       ALA  13   6.800  -5.369   3.246
   83   2HB   ALA  13          2HB       ALA  13   7.197  -5.001   4.925
   84   3HB   ALA  13          1HB       ALA  13   5.871  -6.103   4.552
   85    H    THR  14           H        THR  14   6.426  -2.373   2.609
   86    HA   THR  14           HA       THR  14   6.905  -0.242   4.570
   87    HB   THR  14           HB       THR  14   8.937  -1.687   4.769
   88    HG1  THR  14           HG1      THR  14   9.780   0.191   5.092
   89   1HG2  THR  14          1HG2      THR  14   8.761  -1.471   1.828
   90   2HG2  THR  14          3HG2      THR  14  10.382  -1.270   2.492
   91   3HG2  THR  14          2HG2      THR  14   9.469  -2.742   2.825
   92    H    LYS  15           H        LYS  15   8.177   1.600   3.170
   93    HA   LYS  15           HA       LYS  15   6.417   2.246   1.008
   94   1HB   LYS  15          2HB       LYS  15   8.607   3.487   2.388
   95   2HB   LYS  15          1HB       LYS  15   8.880   3.635   0.651
   96   1HG   LYS  15          2HG       LYS  15   6.093   4.119   1.378
   97   2HG   LYS  15          1HG       LYS  15   7.197   5.242   2.173
   98   1HD   LYS  15          2HD       LYS  15   7.474   4.652  -0.767
   99   2HD   LYS  15          1HD       LYS  15   6.313   5.853  -0.201
  100   1HE   LYS  15          2HE       LYS  15   7.937   7.345   0.341
  101   2HE   LYS  15          1HE       LYS  15   8.987   6.097   1.013
  102   1HZ   LYS  15          1HZ       LYS  15   8.553   6.312  -1.897
  103   2HZ   LYS  15          3HZ       LYS  15   9.716   7.272  -1.121
  104   3HZ   LYS  15          2HZ       LYS  15   9.839   5.579  -1.063
  105    H    GLU  16           H        GLU  16   9.205   0.221   1.142
  106    HA   GLU  16           HA       GLU  16  10.083   0.476  -1.581
  107   1HB   GLU  16          2HB       GLU  16  10.794  -1.082   0.670
  108   2HB   GLU  16          1HB       GLU  16  10.371  -2.230  -0.601
  109   1HG   GLU  16          2HG       GLU  16  11.893  -1.068  -2.159
  110   2HG   GLU  16          1HG       GLU  16  12.324   0.072  -0.884
  111    H    GLU  17           H        GLU  17   7.983  -1.995  -0.050
  112    HA   GLU  17           HA       GLU  17   7.123  -3.047  -2.617
  113   1HB   GLU  17          2HB       GLU  17   5.663  -3.370   0.011
  114   2HB   GLU  17          1HB       GLU  17   5.694  -4.481  -1.359
  115   1HG   GLU  17          2HG       GLU  17   8.368  -4.241  -0.750
  116   2HG   GLU  17          1HG       GLU  17   7.616  -4.170   0.843
  117    H    CYS  18           H        CYS  18   6.119  -0.489  -0.507
  118    HA   CYS  18           HA       CYS  18   3.418  -0.159  -1.416
  119   1HB   CYS  18          2HB       CYS  18   4.553   0.934   0.588
  120   2HB   CYS  18          1HB       CYS  18   5.253   2.067  -0.556
  121    H    SER  19           H        SER  19   6.532   0.867  -2.577
  122    HA   SER  19           HA       SER  19   5.502   2.764  -4.535
  123   1HB   SER  19          2HB       SER  19   8.134   1.716  -3.719
  124   2HB   SER  19          1HB       SER  19   8.007   2.083  -5.436
  125    HG   SER  19           HG       SER  19   8.226   4.083  -4.852
  126    H    LYS  20           H        LYS  20   5.260  -0.510  -4.361
  127    HA   LYS  20           HA       LYS  20   5.541  -0.905  -7.292
  128   1HB   LYS  20          2HB       LYS  20   6.833  -2.487  -6.055
  129   2HB   LYS  20          1HB       LYS  20   5.510  -2.788  -4.928
  130   1HG   LYS  20          2HG       LYS  20   4.675  -4.386  -6.266
  131   2HG   LYS  20          1HG       LYS  20   4.605  -3.259  -7.621
  132   1HD   LYS  20          2HD       LYS  20   6.091  -4.862  -8.438
  133   2HD   LYS  20          1HD       LYS  20   7.201  -3.686  -7.734
  134   1HE   LYS  20          2HE       LYS  20   8.000  -5.275  -6.357
  135   2HE   LYS  20          1HE       LYS  20   6.394  -5.462  -5.653
  136   1HZ   LYS  20          1HZ       LYS  20   5.844  -6.970  -7.495
  137   2HZ   LYS  20          3HZ       LYS  20   7.438  -6.848  -8.061
  138   3HZ   LYS  20          2HZ       LYS  20   7.128  -7.549  -6.544
  139    H    THR  21           H        THR  21   3.276  -1.111  -4.579
  140    HA   THR  21           HA       THR  21   1.147  -1.943  -6.474
  141    HB   THR  21           HB       THR  21  -0.175  -2.529  -4.503
  142    HG1  THR  21           HG1      THR  21   2.036  -1.842  -2.907
  143   1HG2  THR  21          3HG2      THR  21   2.668  -3.518  -4.623
  144   2HG2  THR  21          2HG2      THR  21   1.535  -4.155  -3.430
  145   3HG2  THR  21          1HG2      THR  21   1.194  -4.331  -5.152
  146    H    CYS  22           H        CYS  22   2.316   0.686  -4.748
  147    HA   CYS  22           HA       CYS  22   0.135   2.392  -5.754
  148   1HB   CYS  22          2HB       CYS  22   0.807   3.065  -2.963
  149   2HB   CYS  22          1HB       CYS  22  -0.756   3.066  -3.771
  150    H    THR  23           H        THR  23   0.748   4.762  -4.727
  151    HA   THR  23           HA       THR  23   3.664   5.108  -5.255
  152    HB   THR  23           HB       THR  23   1.431   7.078  -5.776
  153    HG1  THR  23           HG1      THR  23   1.279   6.200  -7.668
  154   1HG2  THR  23          1HG2      THR  23   4.391   7.098  -6.420
  155   2HG2  THR  23          3HG2      THR  23   3.233   8.243  -7.095
  156   3HG2  THR  23          2HG2      THR  23   3.528   8.209  -5.356
  157    H    LYS  24           H        LYS  24   1.215   5.339  -3.031
  158    HA   LYS  24           HA       LYS  24   2.931   6.762  -1.111
  159   1HB   LYS  24          2HB       LYS  24   0.555   8.036  -0.588
  160   2HB   LYS  24          1HB       LYS  24   1.865   8.747  -1.528
  161   1HG   LYS  24          2HG       LYS  24   0.767   8.454  -3.527
  162   2HG   LYS  24          1HG       LYS  24  -0.030   6.976  -2.989
  163   1HD   LYS  24          2HD       LYS  24  -0.755   9.663  -1.823
  164   2HD   LYS  24          1HD       LYS  24  -1.511   9.066  -3.300
  165   1HE   LYS  24          2HE       LYS  24  -2.985   8.270  -1.675
  166   2HE   LYS  24          1HE       LYS  24  -1.909   6.887  -1.880
  167   1HZ   LYS  24          1HZ       LYS  24  -1.055   8.872   0.056
  168   2HZ   LYS  24          3HZ       LYS  24  -2.449   8.003   0.475
  169   3HZ   LYS  24          2HZ       LYS  24  -1.003   7.176   0.140
  170    HA   PRO  25           HA       PRO  25   0.859   4.135   1.806
  171   1HB   PRO  25          2HB       PRO  25   0.546   5.804   3.957
  172   2HB   PRO  25          1HB       PRO  25   2.107   5.105   3.491
  173   1HG   PRO  25          2HG       PRO  25   1.107   7.897   3.113
  174   2HG   PRO  25          1HG       PRO  25   2.767   7.319   3.333
  175   1HD   PRO  25          1HD       PRO  25   1.648   8.069   0.876
  176   2HD   PRO  25          2HD       PRO  25   3.097   7.062   1.069
  177    H    CYS  26           H        CYS  26  -1.015   3.737   0.837
  178    HA   CYS  26           HA       CYS  26  -3.287   5.366   0.575
  179   1HB   CYS  26          2HB       CYS  26  -2.866   2.394   0.985
  180   2HB   CYS  26          1HB       CYS  26  -4.476   3.074   0.804
  181    H    SER  27           H        SER  27  -5.300   4.059   2.159
  182    HA   SER  27           HA       SER  27  -4.674   5.299   4.752
  183   1HB   SER  27          2HB       SER  27  -6.935   5.265   5.163
  184   2HB   SER  27          1HB       SER  27  -6.994   5.146   3.406
  185    HG   SER  27           HG       SER  27  -8.243   3.508   4.258
  186    H    CYS  28           H        CYS  28  -3.279   2.704   3.758
  187    HA   CYS  28           HA       CYS  28  -3.731   1.277   6.343
  188   1HB   CYS  28          2HB       CYS  28  -3.783  -0.907   4.903
  189   2HB   CYS  28          1HB       CYS  28  -5.262   0.033   5.123
  190    H    CYS  29           H        CYS  29  -1.659   1.857   3.556
  191    HA   CYS  29           HA       CYS  29   0.243  -0.163   4.040
  192   1HB   CYS  29          2HB       CYS  29   0.915   2.578   3.009
  193   2HB   CYS  29          1HB       CYS  29   1.548   1.025   2.550
  194    HA   PRO  30           HA       PRO  30   2.778   1.624   7.280
  195   1HB   PRO  30          2HB       PRO  30   4.765   3.346   6.464
  196   2HB   PRO  30          1HB       PRO  30   4.856   1.583   6.293
  197   1HG   PRO  30          2HG       PRO  30   4.280   3.649   4.206
  198   2HG   PRO  30          1HG       PRO  30   5.058   2.069   4.031
  199   1HD   PRO  30          1HD       PRO  30   2.474   2.681   3.348
  200   2HD   PRO  30          2HD       PRO  30   3.086   1.035   3.598
  201    H    LYS  31           HN       LYS  31   2.473   3.179   8.863
  202    HA   LYS  31           HA       LYS  31   1.205   5.734   7.987
  203   1HB   LYS  31          2HB       LYS  31  -0.220   4.416   9.439
  204   2HB   LYS  31          1HB       LYS  31   1.086   4.207  10.605
  205   1HG   LYS  31          2HG       LYS  31   0.914   6.973  10.276
  206   2HG   LYS  31          1HG       LYS  31  -0.767   6.439  10.287
  207   1HD   LYS  31          2HD       LYS  31   0.764   5.044  12.318
  208   2HD   LYS  31          1HD       LYS  31   0.898   6.791  12.523
  209   1HE   LYS  31          2HE       LYS  31  -1.375   7.063  12.892
  210   2HE   LYS  31          1HE       LYS  31  -1.804   5.629  11.960
  211   1HZ   LYS  31          2HZ       LYS  31  -0.268   4.705  14.038
  212   2HZ   LYS  31          1HZ       LYS  31  -1.276   5.876  14.745
  213   3HZ   LYS  31          3HZ       LYS  31  -1.956   4.577  13.892
   
  Start of MODEL           7
 Raw file had  213 H/Q atoms
  Start of MODEL    7
    1   1H    SER   1          2H        SER   1   4.650   7.068  -0.158
    2   2H    SER   1          1H        SER   1   5.589   7.701   1.109
    3   3H    SER   1          3H        SER   1   5.609   8.447  -0.414
    4    HA   SER   1           HA       SER   1   6.810   6.705  -1.406
    5   1HB   SER   1          2HB       SER   1   8.810   6.990  -0.306
    6   2HB   SER   1          1HB       SER   1   7.885   8.216   0.557
    7    HG   SER   1           HG       SER   1   8.363   7.069   2.252
    8    HA   PRO   2           HA       PRO   2   5.513   2.705  -0.262
    9   1HB   PRO   2          2HB       PRO   2   7.132   1.439  -2.095
   10   2HB   PRO   2          1HB       PRO   2   5.537   2.113  -2.391
   11   1HG   PRO   2          2HG       PRO   2   8.125   3.160  -3.274
   12   2HG   PRO   2          1HG       PRO   2   6.503   3.589  -3.826
   13   1HD   PRO   2          1HD       PRO   2   8.201   5.071  -2.088
   14   2HD   PRO   2          2HD       PRO   2   6.552   5.446  -2.616
   15    H    CYS   3           H        CYS   3   5.957   1.486   1.286
   16    HA   CYS   3           HA       CYS   3   8.432   1.692   2.704
   17   1HB   CYS   3          2HB       CYS   3   7.337  -0.080   4.162
   18   2HB   CYS   3          1HB       CYS   3   6.466   1.420   3.973
   19    H    GLN   4           H        GLN   4   8.868  -0.866   3.647
   20    HA   GLN   4           HA       GLN   4  10.491  -1.947   1.452
   21   1HB   GLN   4          2HB       GLN   4  11.396  -3.435   3.157
   22   2HB   GLN   4          1HB       GLN   4  11.359  -1.774   3.747
   23   1HG   GLN   4          2HG       GLN   4  10.297  -2.650   5.554
   24   2HG   GLN   4          1HG       GLN   4   8.884  -2.694   4.499
   25   1HE2  GLN   4          1HE2      GLN   4   8.147  -4.655   5.700
   26   2HE2  GLN   4          2HE2      GLN   4   8.856  -6.162   5.369
   27    H    LYS   5           H        LYS   5   7.419  -2.297   1.747
   28    HA   LYS   5           HA       LYS   5   7.440  -5.177   0.968
   29   1HB   LYS   5          2HB       LYS   5   6.093  -3.945   3.244
   30   2HB   LYS   5          1HB       LYS   5   4.965  -4.774   2.172
   31   1HG   LYS   5          2HG       LYS   5   6.685  -6.722   2.225
   32   2HG   LYS   5          1HG       LYS   5   7.329  -5.913   3.654
   33   1HD   LYS   5          2HD       LYS   5   5.468  -6.370   4.926
   34   2HD   LYS   5          1HD       LYS   5   4.376  -6.301   3.543
   35   1HE   LYS   5          2HE       LYS   5   6.392  -8.527   3.847
   36   2HE   LYS   5          1HE       LYS   5   4.796  -8.620   4.590
   37   1HZ   LYS   5          3HZ       LYS   5   4.051  -7.929   2.193
   38   2HZ   LYS   5          2HZ       LYS   5   5.535  -8.631   1.757
   39   3HZ   LYS   5          1HZ       LYS   5   4.364  -9.551   2.574
   40    H    CYS   6           H        CYS   6   6.940  -2.170  -0.020
   41    HA   CYS   6           HA       CYS   6   4.437  -2.698  -1.527
   42   1HB   CYS   6          2HB       CYS   6   5.743  -0.408  -0.282
   43   2HB   CYS   6          1HB       CYS   6   5.252  -0.078  -1.931
   44    H    THR   7           H        THR   7   7.874  -1.975  -1.862
   45    HA   THR   7           HA       THR   7   7.974  -1.142  -4.514
   46    HB   THR   7           HB       THR   7   9.880  -3.036  -3.129
   47    HG1  THR   7           HG1      THR   7  10.733  -1.290  -2.303
   48   1HG2  THR   7          3HG2      THR   7  10.258  -1.319  -5.599
   49   2HG2  THR   7          2HG2      THR   7  11.525  -2.251  -4.800
   50   3HG2  THR   7          1HG2      THR   7  10.173  -3.081  -5.569
   51    H    SER   8           H        SER   8   9.101  -4.423  -4.112
   52    HA   SER   8           HA       SER   8   7.508  -5.121  -6.503
   53   1HB   SER   8          2HB       SER   8   8.955  -6.916  -6.776
   54   2HB   SER   8          1HB       SER   8  10.016  -5.829  -5.885
   55    HG   SER   8           HG       SER   8   8.693  -8.145  -5.063
   56    H    GLY   9           H        GLY   9   6.266  -4.510  -3.854
   57   1HA   GLY   9          2HA       GLY   9   4.739  -7.056  -3.670
   58   2HA   GLY   9          1HA       GLY   9   5.537  -6.516  -2.200
   59    H    CYS  10           H        CYS  10   4.139  -4.113  -4.400
   60    HA   CYS  10           HA       CYS  10   2.551  -2.985  -2.312
   61   1HB   CYS  10          2HB       CYS  10   3.120  -1.842  -4.510
   62   2HB   CYS  10          1HB       CYS  10   1.866  -2.833  -5.260
   63    H    LYS  11           H        LYS  11   1.247  -4.436  -1.244
   64    HA   LYS  11           HA       LYS  11  -0.456  -6.271  -2.820
   65   1HB   LYS  11          2HB       LYS  11   0.869  -6.830  -0.642
   66   2HB   LYS  11          1HB       LYS  11  -0.488  -6.060   0.178
   67   1HG   LYS  11          2HG       LYS  11  -2.045  -7.599  -0.995
   68   2HG   LYS  11          1HG       LYS  11  -0.663  -8.396  -1.747
   69   1HD   LYS  11          2HD       LYS  11   0.114  -9.261   0.300
   70   2HD   LYS  11          1HD       LYS  11  -0.821  -8.105   1.248
   71   1HE   LYS  11          2HE       LYS  11  -2.693  -9.530  -0.319
   72   2HE   LYS  11          1HE       LYS  11  -1.587 -10.734   0.342
   73   1HZ   LYS  11          1HZ       LYS  11  -2.572  -8.624   2.119
   74   2HZ   LYS  11          3HZ       LYS  11  -3.633  -9.883   1.711
   75   3HZ   LYS  11          2HZ       LYS  11  -2.156 -10.233   2.474
   76    H    CYS  12           H        CYS  12  -0.804  -3.117  -1.600
   77    HA   CYS  12           HA       CYS  12  -3.515  -3.325  -0.696
   78   1HB   CYS  12          2HB       CYS  12  -2.273  -0.796  -1.702
   79   2HB   CYS  12          1HB       CYS  12  -3.347  -1.061  -0.363
   80    H    ALA  13           H        ALA  13  -5.193  -3.669  -2.057
   81    HA   ALA  13           HA       ALA  13  -4.944  -2.895  -4.914
   82   1HB   ALA  13          2HB       ALA  13  -5.838  -5.165  -4.279
   83   2HB   ALA  13          1HB       ALA  13  -7.206  -4.360  -3.511
   84   3HB   ALA  13          3HB       ALA  13  -6.963  -4.218  -5.252
   85    H    THR  14           H        THR  14  -6.438  -2.016  -1.936
   86    HA   THR  14           HA       THR  14  -7.490   0.463  -3.131
   87    HB   THR  14           HB       THR  14  -9.674  -0.010  -1.739
   88    HG1  THR  14           HG1      THR  14 -10.163  -2.185  -1.628
   89   1HG2  THR  14          2HG2      THR  14  -8.969  -0.258  -4.437
   90   2HG2  THR  14          1HG2      THR  14  -9.881  -1.724  -4.075
   91   3HG2  THR  14          3HG2      THR  14 -10.604  -0.141  -3.785
   92    H    LYS  15           H        LYS  15  -8.611   1.661  -1.006
   93    HA   LYS  15           HA       LYS  15  -6.402   1.917   0.858
   94   1HB   LYS  15          2HB       LYS  15  -9.177   2.927   1.464
   95   2HB   LYS  15          1HB       LYS  15  -7.620   3.675   1.824
   96   1HG   LYS  15          2HG       LYS  15  -7.585   3.491  -0.936
   97   2HG   LYS  15          1HG       LYS  15  -9.271   3.881  -0.590
   98   1HD   LYS  15          2HD       LYS  15  -8.119   5.623   1.086
   99   2HD   LYS  15          1HD       LYS  15  -6.812   5.495  -0.092
  100   1HE   LYS  15          2HE       LYS  15  -9.671   5.982  -0.937
  101   2HE   LYS  15          1HE       LYS  15  -8.583   7.308  -0.528
  102   1HZ   LYS  15          3HZ       LYS  15  -7.111   5.733  -2.189
  103   2HZ   LYS  15          2HZ       LYS  15  -8.663   5.678  -2.878
  104   3HZ   LYS  15          1HZ       LYS  15  -7.896   7.172  -2.623
  105    H    GLU  16           H        GLU  16  -9.127  -0.168   0.668
  106    HA   GLU  16           HA       GLU  16  -9.515  -0.675   3.473
  107   1HB   GLU  16          2HB       GLU  16 -10.213  -2.058   0.919
  108   2HB   GLU  16          1HB       GLU  16 -10.237  -3.026   2.394
  109   1HG   GLU  16          2HG       GLU  16 -11.857  -1.613   3.420
  110   2HG   GLU  16          1HG       GLU  16 -11.631  -0.350   2.209
  111    H    GLU  17           H        GLU  17  -7.356  -2.038   1.018
  112    HA   GLU  17           HA       GLU  17  -6.168  -3.874   3.014
  113   1HB   GLU  17          2HB       GLU  17  -5.134  -3.484   0.214
  114   2HB   GLU  17          1HB       GLU  17  -5.106  -4.938   1.212
  115   1HG   GLU  17          2HG       GLU  17  -7.667  -4.894   1.074
  116   2HG   GLU  17          1HG       GLU  17  -7.468  -3.705  -0.214
  117    H    CYS  18           H        CYS  18  -5.558  -0.818   1.455
  118    HA   CYS  18           HA       CYS  18  -2.746  -0.614   1.881
  119   1HB   CYS  18          2HB       CYS  18  -4.174   0.961   0.531
  120   2HB   CYS  18          1HB       CYS  18  -4.728   1.649   2.049
  121    H    SER  19           H        SER  19  -5.496   0.164   3.921
  122    HA   SER  19           HA       SER  19  -4.043   1.435   6.029
  123   1HB   SER  19          2HB       SER  19  -6.507  -0.296   6.367
  124   2HB   SER  19          1HB       SER  19  -5.974   1.012   7.419
  125    HG   SER  19           HG       SER  19  -6.112   2.216   5.231
  126    H    LYS  20           H        LYS  20  -4.028  -1.748   4.929
  127    HA   LYS  20           HA       LYS  20  -3.458  -3.078   7.401
  128   1HB   LYS  20          2HB       LYS  20  -4.540  -4.004   5.305
  129   2HB   LYS  20          1HB       LYS  20  -2.928  -4.009   4.589
  130   1HG   LYS  20          2HG       LYS  20  -2.114  -5.434   6.432
  131   2HG   LYS  20          1HG       LYS  20  -3.731  -5.439   7.135
  132   1HD   LYS  20          2HD       LYS  20  -4.618  -6.493   5.079
  133   2HD   LYS  20          1HD       LYS  20  -2.991  -6.516   4.399
  134   1HE   LYS  20          2HE       LYS  20  -3.511  -7.773   7.081
  135   2HE   LYS  20          1HE       LYS  20  -3.892  -8.659   5.605
  136   1HZ   LYS  20          3HZ       LYS  20  -1.252  -7.463   6.253
  137   2HZ   LYS  20          2HZ       LYS  20  -1.641  -9.111   6.388
  138   3HZ   LYS  20          1HZ       LYS  20  -1.626  -8.361   4.863
  139    H    THR  21           H        THR  21  -1.400  -2.284   4.547
  140    HA   THR  21           HA       THR  21   0.938  -2.851   6.286
  141    HB   THR  21           HB       THR  21   1.053  -4.070   4.230
  142    HG1  THR  21           HG1      THR  21   2.981  -3.360   3.547
  143   1HG2  THR  21          1HG2      THR  21  -0.218  -1.679   3.204
  144   2HG2  THR  21          3HG2      THR  21   1.169  -2.122   2.209
  145   3HG2  THR  21          2HG2      THR  21  -0.126  -3.287   2.484
  146    H    CYS  22           H        CYS  22  -0.759  -0.299   4.942
  147    HA   CYS  22           HA       CYS  22   1.213   1.607   6.027
  148   1HB   CYS  22          2HB       CYS  22   0.412   2.681   3.480
  149   2HB   CYS  22          1HB       CYS  22   2.035   2.410   4.098
  150    H    THR  23           H        THR  23   0.124   3.189   7.086
  151    HA   THR  23           HA       THR  23  -2.727   3.318   7.076
  152    HB   THR  23           HB       THR  23  -0.892   5.559   7.897
  153    HG1  THR  23           HG1      THR  23  -0.091   4.222   9.278
  154   1HG2  THR  23          1HG2      THR  23  -3.535   5.613   7.882
  155   2HG2  THR  23          3HG2      THR  23  -3.351   4.667   9.359
  156   3HG2  THR  23          2HG2      THR  23  -2.641   6.277   9.249
  157    H    LYS  24           H        LYS  24  -0.505   4.463   4.863
  158    HA   LYS  24           HA       LYS  24  -2.606   6.086   3.535
  159   1HB   LYS  24          2HB       LYS  24  -0.490   7.663   2.989
  160   2HB   LYS  24          1HB       LYS  24  -1.533   7.931   4.386
  161   1HG   LYS  24          2HG       LYS  24   0.755   7.977   5.159
  162   2HG   LYS  24          1HG       LYS  24   0.035   6.467   5.722
  163   1HD   LYS  24          2HD       LYS  24   1.119   5.199   4.015
  164   2HD   LYS  24          1HD       LYS  24   1.585   6.654   3.134
  165   1HE   LYS  24          2HE       LYS  24   3.565   6.026   4.253
  166   2HE   LYS  24          1HE       LYS  24   2.888   7.290   5.280
  167   1HZ   LYS  24          2HZ       LYS  24   1.761   4.846   6.036
  168   2HZ   LYS  24          1HZ       LYS  24   3.443   4.629   5.944
  169   3HZ   LYS  24          3HZ       LYS  24   2.799   5.846   6.935
  170    HA   PRO  25           HA       PRO  25  -0.994   4.412  -0.251
  171   1HB   PRO  25          2HB       PRO  25  -1.362   6.541  -1.928
  172   2HB   PRO  25          1HB       PRO  25  -2.695   5.542  -1.325
  173   1HG   PRO  25          2HG       PRO  25  -1.905   8.305  -0.521
  174   2HG   PRO  25          1HG       PRO  25  -3.498   7.533  -0.470
  175   1HD   PRO  25          1HD       PRO  25  -1.792   7.921   1.740
  176   2HD   PRO  25          2HD       PRO  25  -3.199   6.839   1.695
  177    H    CYS  26           H        CYS  26   1.095   4.055  -0.011
  178    HA   CYS  26           HA       CYS  26   3.213   5.902   0.191
  179   1HB   CYS  26          2HB       CYS  26   2.977   3.121  -0.996
  180   2HB   CYS  26          1HB       CYS  26   4.501   3.992  -0.968
  181    H    SER  27           H        SER  27   4.781   5.309  -2.176
  182    HA   SER  27           HA       SER  27   3.447   7.157  -4.016
  183   1HB   SER  27          2HB       SER  27   5.507   7.332  -5.119
  184   2HB   SER  27          1HB       SER  27   5.997   7.012  -3.458
  185    HG   SER  27           HG       SER  27   6.696   5.654  -5.527
  186    H    CYS  28           H        CYS  28   2.540   4.160  -3.511
  187    HA   CYS  28           HA       CYS  28   2.248   3.646  -6.457
  188   1HB   CYS  28          2HB       CYS  28   2.641   1.141  -5.816
  189   2HB   CYS  28          1HB       CYS  28   4.025   2.204  -6.089
  190    H    CYS  29           H        CYS  29   0.947   3.168  -3.211
  191    HA   CYS  29           HA       CYS  29  -1.018   1.259  -3.871
  192   1HB   CYS  29          2HB       CYS  29  -1.458   3.445  -1.869
  193   2HB   CYS  29          1HB       CYS  29  -1.884   1.761  -1.805
  194    HA   PRO  30           HA       PRO  30  -4.266   3.749  -5.680
  195   1HB   PRO  30          2HB       PRO  30  -6.106   4.740  -3.896
  196   2HB   PRO  30          1HB       PRO  30  -6.034   3.038  -4.390
  197   1HG   PRO  30          2HG       PRO  30  -5.104   4.297  -1.837
  198   2HG   PRO  30          1HG       PRO  30  -5.721   2.661  -2.117
  199   1HD   PRO  30          1HD       PRO  30  -3.091   3.369  -1.792
  200   2HD   PRO  30          2HD       PRO  30  -3.641   1.843  -2.508
  201    H    LYS  31           HN       LYS  31  -5.415   6.020  -5.840
  202    HA   LYS  31           HA       LYS  31  -3.498   8.091  -4.848
  203   1HB   LYS  31          2HB       LYS  31  -3.669   7.505  -7.399
  204   2HB   LYS  31          1HB       LYS  31  -5.166   8.435  -7.328
  205   1HG   LYS  31          2HG       LYS  31  -3.769  10.196  -7.738
  206   2HG   LYS  31          1HG       LYS  31  -3.502  10.114  -5.996
  207   1HD   LYS  31          2HD       LYS  31  -1.327   9.692  -6.379
  208   2HD   LYS  31          1HD       LYS  31  -1.786   8.188  -7.178
  209   1HE   LYS  31          2HE       LYS  31  -0.818   9.143  -9.006
  210   2HE   LYS  31          1HE       LYS  31  -2.354  10.000  -9.137
  211   1HZ   LYS  31          2HZ       LYS  31  -0.831  11.386  -7.289
  212   2HZ   LYS  31          1HZ       LYS  31   0.214  11.039  -8.583
  213   3HZ   LYS  31          3HZ       LYS  31  -1.235  11.874  -8.866
   
  Start of MODEL           8
 Raw file had  213 H/Q atoms
  Start of MODEL    8
    1   1H    SER   1          3H        SER   1  -6.474  -5.056  -1.192
    2   2H    SER   1          2H        SER   1  -7.455  -5.500  -2.505
    3   3H    SER   1          1H        SER   1  -6.135  -4.459  -2.741
    4    HA   SER   1           HA       SER   1  -7.978  -3.039  -2.758
    5   1HB   SER   1          2HB       SER   1  -9.541  -3.220  -0.655
    6   2HB   SER   1          1HB       SER   1  -9.762  -4.347  -1.991
    7    HG   SER   1           HG       SER   1  -9.664  -5.536  -0.116
    8    HA   PRO   2           HA       PRO   2  -5.472  -0.547  -0.193
    9   1HB   PRO   2          2HB       PRO   2  -6.623   1.807  -1.043
   10   2HB   PRO   2          1HB       PRO   2  -5.316   0.934  -1.828
   11   1HG   PRO   2          2HG       PRO   2  -8.091   1.181  -2.712
   12   2HG   PRO   2          1HG       PRO   2  -6.692   0.574  -3.606
   13   1HD   PRO   2          1HD       PRO   2  -8.799  -0.933  -2.392
   14   2HD   PRO   2          2HD       PRO   2  -7.397  -1.501  -3.313
   15    H    CYS   3           H        CYS   3  -5.508  -0.021   1.751
   16    HA   CYS   3           HA       CYS   3  -7.868  -0.223   3.332
   17   1HB   CYS   3          2HB       CYS   3  -6.268   0.551   5.170
   18   2HB   CYS   3          1HB       CYS   3  -5.844  -0.904   4.311
   19    H    GLN   4           H        GLN   4  -7.517   1.818   5.230
   20    HA   GLN   4           HA       GLN   4  -9.059   3.924   3.933
   21   1HB   GLN   4          2HB       GLN   4  -9.567   4.645   6.077
   22   2HB   GLN   4          1HB       GLN   4  -9.265   2.928   6.328
   23   1HG   GLN   4          2HG       GLN   4  -6.914   3.475   6.971
   24   2HG   GLN   4          1HG       GLN   4  -7.306   5.189   6.825
   25   1HE2  GLN   4          2HE2      GLN   4  -9.264   3.141   9.816
   26   2HE2  GLN   4          1HE2      GLN   4  -9.015   2.375   8.322
   27    H    LYS   5           H        LYS   5  -5.933   3.559   3.644
   28    HA   LYS   5           HA       LYS   5  -5.435   6.497   3.725
   29   1HB   LYS   5          2HB       LYS   5  -3.799   4.339   5.031
   30   2HB   LYS   5          1HB       LYS   5  -3.063   5.865   4.541
   31   1HG   LYS   5          2HG       LYS   5  -5.509   6.463   5.891
   32   2HG   LYS   5          1HG       LYS   5  -4.601   5.329   6.890
   33   1HD   LYS   5          2HD       LYS   5  -2.892   6.810   7.263
   34   2HD   LYS   5          1HD       LYS   5  -3.046   7.548   5.668
   35   1HE   LYS   5          2HE       LYS   5  -5.121   7.926   7.835
   36   2HE   LYS   5          1HE       LYS   5  -3.747   9.013   7.641
   37   1HZ   LYS   5          3HZ       LYS   5  -4.499   9.168   5.230
   38   2HZ   LYS   5          2HZ       LYS   5  -5.966   8.498   5.762
   39   3HZ   LYS   5          1HZ       LYS   5  -5.429   9.983   6.391
   40    H    CYS   6           H        CYS   6  -5.520   3.831   1.909
   41    HA   CYS   6           HA       CYS   6  -3.084   4.356   0.323
   42   1HB   CYS   6          2HB       CYS   6  -4.912   2.144   0.841
   43   2HB   CYS   6          1HB       CYS   6  -4.581   2.346  -0.868
   44    H    THR   7           H        THR   7  -6.582   4.686   0.219
   45    HA   THR   7           HA       THR   7  -7.015   4.918  -2.520
   46    HB   THR   7           HB       THR   7  -8.254   6.546  -0.296
   47    HG1  THR   7           HG1      THR   7  -9.952   5.006  -0.673
   48   1HG2  THR   7          2HG2      THR   7  -8.571   6.668  -3.208
   49   2HG2  THR   7          1HG2      THR   7 -10.091   6.391  -2.358
   50   3HG2  THR   7          3HG2      THR   7  -9.109   7.804  -1.971
   51    H    SER   8           H        SER   8  -7.136   7.994  -0.873
   52    HA   SER   8           HA       SER   8  -5.531   9.096  -3.097
   53   1HB   SER   8          2HB       SER   8  -7.642  10.097  -1.508
   54   2HB   SER   8          1HB       SER   8  -6.214  11.007  -1.023
   55    HG   SER   8           HG       SER   8  -6.619  10.560  -3.746
   56    H    GLY   9           H        GLY   9  -4.408   7.274  -0.988
   57   1HA   GLY   9          2HA       GLY   9  -2.189   9.100  -0.227
   58   2HA   GLY   9          1HA       GLY   9  -3.043   8.320   1.096
   59    H    CYS  10           H        CYS  10  -2.415   6.614  -1.978
   60    HA   CYS  10           HA       CYS  10  -1.207   4.414  -0.595
   61   1HB   CYS  10          2HB       CYS  10  -2.096   4.320  -2.970
   62   2HB   CYS  10          1HB       CYS  10  -0.636   5.175  -3.474
   63    H    LYS  11           H        LYS  11   0.517   4.886   0.709
   64    HA   LYS  11           HA       LYS  11   2.622   6.706  -0.320
   65   1HB   LYS  11          2HB       LYS  11   1.564   6.067   2.263
   66   2HB   LYS  11          1HB       LYS  11   3.292   5.711   2.256
   67   1HG   LYS  11          2HG       LYS  11   2.754   8.083   2.891
   68   2HG   LYS  11          1HG       LYS  11   3.811   7.950   1.485
   69   1HD   LYS  11          2HD       LYS  11   1.212   7.861   0.437
   70   2HD   LYS  11          1HD       LYS  11   1.158   9.115   1.677
   71   1HE   LYS  11          2HE       LYS  11   3.070  10.250   0.676
   72   2HE   LYS  11          1HE       LYS  11   3.256   8.954  -0.506
   73   1HZ   LYS  11          3HZ       LYS  11   0.605  10.045  -0.440
   74   2HZ   LYS  11          2HZ       LYS  11   1.780  11.205  -0.845
   75   3HZ   LYS  11          1HZ       LYS  11   1.634   9.782  -1.762
   76    H    CYS  12           H        CYS  12   2.106   3.365  -0.443
   77    HA   CYS  12           HA       CYS  12   4.798   2.548   0.156
   78   1HB   CYS  12          2HB       CYS  12   2.867   0.943  -1.474
   79   2HB   CYS  12          1HB       CYS  12   4.026   0.436  -0.283
   80    H    ALA  13           H        ALA  13   6.448   2.971  -1.212
   81    HA   ALA  13           HA       ALA  13   5.926   3.432  -4.086
   82   1HB   ALA  13          2HB       ALA  13   8.081   4.041  -2.190
   83   2HB   ALA  13          1HB       ALA  13   8.686   3.394  -3.715
   84   3HB   ALA  13          3HB       ALA  13   7.673   4.837  -3.710
   85    H    THR  14           H        THR  14   6.903   0.976  -1.906
   86    HA   THR  14           HA       THR  14   6.995  -1.018  -4.040
   87    HB   THR  14           HB       THR  14   9.370  -1.219  -2.294
   88    HG1  THR  14           HG1      THR  14   9.435   0.640  -4.410
   89   1HG2  THR  14          1HG2      THR  14   8.647  -2.620  -4.354
   90   2HG2  THR  14          3HG2      THR  14   9.257  -1.264  -5.302
   91   3HG2  THR  14          2HG2      THR  14  10.341  -2.146  -4.225
   92    H    LYS  15           H        LYS  15   7.795  -3.209  -2.670
   93    HA   LYS  15           HA       LYS  15   5.689  -3.638  -0.776
   94   1HB   LYS  15          2HB       LYS  15   7.919  -5.164  -1.892
   95   2HB   LYS  15          1HB       LYS  15   7.659  -5.536  -0.188
   96   1HG   LYS  15          2HG       LYS  15   5.245  -5.917  -0.668
   97   2HG   LYS  15          1HG       LYS  15   5.566  -5.632  -2.380
   98   1HD   LYS  15          2HD       LYS  15   7.175  -7.514  -2.385
   99   2HD   LYS  15          1HD       LYS  15   6.818  -7.814  -0.684
  100   1HE   LYS  15          2HE       LYS  15   4.530  -7.706  -2.610
  101   2HE   LYS  15          1HE       LYS  15   5.545  -9.148  -2.599
  102   1HZ   LYS  15          1HZ       LYS  15   5.028  -8.464   0.050
  103   2HZ   LYS  15          3HZ       LYS  15   3.545  -8.400  -0.771
  104   3HZ   LYS  15          2HZ       LYS  15   4.472  -9.824  -0.805
  105    H    GLU  16           H        GLU  16   9.125  -2.812  -0.368
  106    HA   GLU  16           HA       GLU  16   9.392  -3.112   2.404
  107   1HB   GLU  16          2HB       GLU  16  10.482  -0.956   0.572
  108   2HB   GLU  16          1HB       GLU  16  10.978  -1.136   2.256
  109   1HG   GLU  16          2HG       GLU  16  12.310  -2.896   1.775
  110   2HG   GLU  16          1HG       GLU  16  11.058  -3.670   0.802
  111    H    GLU  17           H        GLU  17   8.327  -0.134   0.718
  112    HA   GLU  17           HA       GLU  17   7.516   1.190   3.141
  113   1HB   GLU  17          2HB       GLU  17   6.419   1.715   0.374
  114   2HB   GLU  17          1HB       GLU  17   6.589   2.861   1.704
  115   1HG   GLU  17          2HG       GLU  17   9.155   1.758   1.281
  116   2HG   GLU  17          1HG       GLU  17   8.517   2.136  -0.319
  117    H    CYS  18           H        CYS  18   6.018  -1.146   1.064
  118    HA   CYS  18           HA       CYS  18   3.269  -0.707   1.737
  119   1HB   CYS  18          2HB       CYS  18   4.288  -2.203  -0.075
  120   2HB   CYS  18          1HB       CYS  18   4.486  -3.393   1.197
  121    H    SER  19           H        SER  19   5.868  -2.401   3.305
  122    HA   SER  19           HA       SER  19   4.211  -3.852   5.191
  123   1HB   SER  19          2HB       SER  19   7.135  -3.168   5.025
  124   2HB   SER  19          1HB       SER  19   6.482  -3.829   6.521
  125    HG   SER  19           HG       SER  19   5.822  -5.050   4.088
  126    H    LYS  20           H        LYS  20   4.879  -0.613   4.804
  127    HA   LYS  20           HA       LYS  20   4.909   0.146   7.612
  128   1HB   LYS  20          2HB       LYS  20   6.019   1.224   5.463
  129   2HB   LYS  20          1HB       LYS  20   4.467   2.057   5.364
  130   1HG   LYS  20          2HG       LYS  20   5.932   1.948   7.981
  131   2HG   LYS  20          1HG       LYS  20   6.412   3.126   6.759
  132   1HD   LYS  20          2HD       LYS  20   3.855   3.673   6.648
  133   2HD   LYS  20          1HD       LYS  20   3.797   2.891   8.228
  134   1HE   LYS  20          2HE       LYS  20   5.911   4.489   8.648
  135   2HE   LYS  20          1HE       LYS  20   5.083   5.458   7.429
  136   1HZ   LYS  20          3HZ       LYS  20   3.021   5.043   8.857
  137   2HZ   LYS  20          2HZ       LYS  20   4.113   4.602  10.081
  138   3HZ   LYS  20          1HZ       LYS  20   4.162   6.166   9.419
  139    H    THR  21           H        THR  21   2.680   0.768   4.846
  140    HA   THR  21           HA       THR  21   0.609   1.489   6.834
  141    HB   THR  21           HB       THR  21   0.803   3.136   5.122
  142    HG1  THR  21           HG1      THR  21  -1.270   3.160   4.920
  143   1HG2  THR  21          1HG2      THR  21   1.372   0.795   3.497
  144   2HG2  THR  21          3HG2      THR  21   0.206   1.858   2.710
  145   3HG2  THR  21          2HG2      THR  21   1.779   2.485   3.201
  146    H    CYS  22           H        CYS  22   1.507  -1.106   4.919
  147    HA   CYS  22           HA       CYS  22  -0.981  -2.515   5.666
  148   1HB   CYS  22          2HB       CYS  22  -0.335  -3.189   2.904
  149   2HB   CYS  22          1HB       CYS  22  -1.889  -2.765   3.613
  150    H    THR  23           H        THR  23  -0.707  -4.868   4.459
  151    HA   THR  23           HA       THR  23   2.060  -5.763   5.117
  152    HB   THR  23           HB       THR  23  -0.457  -7.404   5.397
  153    HG1  THR  23           HG1      THR  23  -0.616  -5.787   6.884
  154   1HG2  THR  23          1HG2      THR  23   2.441  -7.765   6.106
  155   2HG2  THR  23          3HG2      THR  23   1.198  -8.605   7.033
  156   3HG2  THR  23          2HG2      THR  23   1.346  -8.888   5.298
  157    H    LYS  24           H        LYS  24  -0.297  -5.476   2.793
  158    HA   LYS  24           HA       LYS  24   1.218  -7.188   0.926
  159   1HB   LYS  24          2HB       LYS  24  -1.630  -7.508   0.438
  160   2HB   LYS  24          1HB       LYS  24  -0.390  -8.743   0.602
  161   1HG   LYS  24          2HG       LYS  24  -1.136  -9.281   2.657
  162   2HG   LYS  24          1HG       LYS  24  -1.000  -7.620   3.207
  163   1HD   LYS  24          2HD       LYS  24  -3.331  -8.776   1.660
  164   2HD   LYS  24          1HD       LYS  24  -3.324  -8.386   3.380
  165   1HE   LYS  24          2HE       LYS  24  -2.682  -6.001   2.669
  166   2HE   LYS  24          1HE       LYS  24  -3.147  -6.486   1.039
  167   1HZ   LYS  24          1HZ       LYS  24  -5.126  -7.303   2.868
  168   2HZ   LYS  24          3HZ       LYS  24  -4.809  -5.653   3.101
  169   3HZ   LYS  24          2HZ       LYS  24  -5.264  -6.221   1.567
  170    HA   PRO  25           HA       PRO  25   0.089  -4.064  -2.018
  171   1HB   PRO  25          2HB       PRO  25  -0.470  -5.535  -4.255
  172   2HB   PRO  25          1HB       PRO  25   1.172  -5.324  -3.623
  173   1HG   PRO  25          2HG       PRO  25  -0.581  -7.730  -3.514
  174   2HG   PRO  25          1HG       PRO  25   1.187  -7.626  -3.482
  175   1HD   PRO  25          1HD       PRO  25  -0.498  -8.046  -1.241
  176   2HD   PRO  25          2HD       PRO  25   1.230  -7.638  -1.191
  177    H    CYS  26           H        CYS  26  -1.736  -3.177  -1.201
  178    HA   CYS  26           HA       CYS  26  -4.370  -4.195  -1.285
  179   1HB   CYS  26          2HB       CYS  26  -3.202  -1.399  -1.416
  180   2HB   CYS  26          1HB       CYS  26  -4.935  -1.675  -1.465
  181    H    SER  27           H        SER  27  -5.747  -2.288  -3.014
  182    HA   SER  27           HA       SER  27  -5.165  -3.603  -5.573
  183   1HB   SER  27          2HB       SER  27  -7.513  -3.005  -4.735
  184   2HB   SER  27          1HB       SER  27  -7.121  -1.338  -5.147
  185    HG   SER  27           HG       SER  27  -7.761  -1.936  -7.064
  186    H    CYS  28           H        CYS  28  -3.287  -1.462  -4.204
  187    HA   CYS  28           HA       CYS  28  -2.905   0.022  -6.780
  188   1HB   CYS  28          2HB       CYS  28  -2.391   2.063  -5.200
  189   2HB   CYS  28          1HB       CYS  28  -4.050   1.704  -5.689
  190    H    CYS  29           H        CYS  29  -1.457  -1.074  -3.717
  191    HA   CYS  29           HA       CYS  29   1.052   0.158  -4.057
  192   1HB   CYS  29          2HB       CYS  29   0.792  -2.580  -2.907
  193   2HB   CYS  29          1HB       CYS  29   1.712  -1.213  -2.358
  194    HA   PRO  30           HA       PRO  30   3.103  -2.497  -7.017
  195   1HB   PRO  30          2HB       PRO  30   4.609  -4.486  -5.858
  196   2HB   PRO  30          1HB       PRO  30   5.098  -2.781  -5.904
  197   1HG   PRO  30          2HG       PRO  30   3.918  -4.343  -3.625
  198   2HG   PRO  30          1HG       PRO  30   5.112  -3.037  -3.582
  199   1HD   PRO  30          1HD       PRO  30   2.486  -2.763  -2.972
  200   2HD   PRO  30          2HD       PRO  30   3.503  -1.417  -3.514
  201    H    LYS  31           HN       LYS  31   2.891  -4.466  -8.292
  202    HA   LYS  31           HA       LYS  31   0.544  -6.070  -7.526
  203   1HB   LYS  31          2HB       LYS  31   2.229  -5.815 -10.013
  204   2HB   LYS  31          1HB       LYS  31   1.104  -7.161  -9.828
  205   1HG   LYS  31          2HG       LYS  31  -0.752  -5.602  -9.486
  206   2HG   LYS  31          1HG       LYS  31   0.356  -4.233  -9.584
  207   1HD   LYS  31          2HD       LYS  31  -0.790  -4.581 -11.739
  208   2HD   LYS  31          1HD       LYS  31   0.942  -4.875 -11.897
  209   1HE   LYS  31          2HE       LYS  31  -0.305  -6.656 -13.026
  210   2HE   LYS  31          1HE       LYS  31   0.532  -7.311 -11.618
  211   1HZ   LYS  31          3HZ       LYS  31  -2.317  -6.473 -11.690
  212   2HZ   LYS  31          2HZ       LYS  31  -1.761  -8.078 -11.745
  213   3HZ   LYS  31          1HZ       LYS  31  -1.509  -7.136 -10.354
   
  Start of MODEL           9
 Raw file had  213 H/Q atoms
  Start of MODEL    9
    1   1H    SER   1          2H        SER   1   7.324   6.503   0.406
    2   2H    SER   1          1H        SER   1   8.398   6.904  -0.847
    3   3H    SER   1          3H        SER   1   7.011   5.987  -1.181
    4    HA   SER   1           HA       SER   1   8.849   4.490  -1.165
    5   1HB   SER   1          2HB       SER   1   9.583   4.845   1.639
    6   2HB   SER   1          1HB       SER   1  10.618   4.778   0.215
    7    HG   SER   1           HG       SER   1  10.469   6.837   1.476
    8    HA   PRO   2           HA       PRO   2   5.755   2.066   0.764
    9   1HB   PRO   2          2HB       PRO   2   6.502  -0.227  -0.558
   10   2HB   PRO   2          1HB       PRO   2   5.401   1.009  -1.173
   11   1HG   PRO   2          2HG       PRO   2   8.134   0.429  -2.041
   12   2HG   PRO   2          1HG       PRO   2   6.918   1.457  -2.810
   13   1HD   PRO   2          1HD       PRO   2   9.194   2.259  -1.246
   14   2HD   PRO   2          2HD       PRO   2   7.999   3.265  -2.086
   15    H    CYS   3           H        CYS   3   5.544   0.529   2.325
   16    HA   CYS   3           HA       CYS   3   7.746   0.376   4.123
   17   1HB   CYS   3          2HB       CYS   3   6.222  -1.108   5.460
   18   2HB   CYS   3          1HB       CYS   3   5.558   0.444   5.033
   19    H    GLN   4           H        GLN   4   7.700  -2.113   5.217
   20    HA   GLN   4           HA       GLN   4   9.515  -3.529   3.412
   21   1HB   GLN   4          2HB       GLN   4   9.562  -5.178   5.374
   22   2HB   GLN   4          1HB       GLN   4  10.148  -3.543   5.682
   23   1HG   GLN   4          2HG       GLN   4   8.518  -3.153   7.191
   24   2HG   GLN   4          1HG       GLN   4   7.273  -3.743   6.090
   25   1HE2  GLN   4          2HE2      GLN   4   6.876  -6.435   8.360
   26   2HE2  GLN   4          1HE2      GLN   4   6.170  -5.049   7.679
   27    H    LYS   5           H        LYS   5   6.368  -3.487   3.186
   28    HA   LYS   5           HA       LYS   5   6.204  -6.375   2.450
   29   1HB   LYS   5          2HB       LYS   5   4.308  -4.724   4.096
   30   2HB   LYS   5          1HB       LYS   5   3.710  -6.086   3.148
   31   1HG   LYS   5          2HG       LYS   5   5.942  -7.145   4.396
   32   2HG   LYS   5          1HG       LYS   5   5.266  -6.088   5.636
   33   1HD   LYS   5          2HD       LYS   5   3.000  -7.166   5.094
   34   2HD   LYS   5          1HD       LYS   5   3.919  -8.390   4.217
   35   1HE   LYS   5          2HE       LYS   5   4.359  -9.445   6.152
   36   2HE   LYS   5          1HE       LYS   5   5.178  -8.002   6.750
   37   1HZ   LYS   5          3HZ       LYS   5   2.242  -8.419   6.853
   38   2HZ   LYS   5          2HZ       LYS   5   3.296  -8.725   8.150
   39   3HZ   LYS   5          1HZ       LYS   5   3.114  -7.145   7.554
   40    H    CYS   6           H        CYS   6   6.233  -3.357   1.346
   41    HA   CYS   6           HA       CYS   6   4.043  -3.718  -0.614
   42   1HB   CYS   6          2HB       CYS   6   5.271  -1.505   0.854
   43   2HB   CYS   6          1HB       CYS   6   5.011  -1.161  -0.844
   44    H    THR   7           H        THR   7   7.475  -3.739  -0.274
   45    HA   THR   7           HA       THR   7   8.292  -2.696  -2.738
   46    HB   THR   7           HB       THR   7   9.450  -5.039  -1.229
   47    HG1  THR   7           HG1      THR   7   9.378  -2.935  -0.212
   48   1HG2  THR   7          2HG2      THR   7  10.008  -4.303  -3.846
   49   2HG2  THR   7          1HG2      THR   7  11.259  -3.480  -2.914
   50   3HG2  THR   7          3HG2      THR   7  11.073  -5.228  -2.787
   51    H    SER   8           H        SER   8   8.809  -6.106  -2.655
   52    HA   SER   8           HA       SER   8   7.488  -6.247  -5.293
   53   1HB   SER   8          2HB       SER   8   8.570  -8.359  -5.551
   54   2HB   SER   8          1HB       SER   8   9.758  -7.340  -4.745
   55    HG   SER   8           HG       SER   8   8.574  -8.277  -2.762
   56    H    GLY   9           H        GLY   9   6.030  -5.842  -2.684
   57   1HA   GLY   9          2HA       GLY   9   4.121  -8.087  -3.122
   58   2HA   GLY   9          1HA       GLY   9   4.799  -7.944  -1.506
   59    H    CYS  10           H        CYS  10   3.540  -5.450  -3.802
   60    HA   CYS  10           HA       CYS  10   2.272  -3.993  -1.650
   61   1HB   CYS  10          2HB       CYS  10   2.845  -2.998  -3.905
   62   2HB   CYS  10          1HB       CYS  10   1.499  -3.916  -4.582
   63    H    LYS  11           H        LYS  11   0.575  -4.755  -0.515
   64    HA   LYS  11           HA       LYS  11  -1.154  -6.816  -1.743
   65   1HB   LYS  11          2HB       LYS  11  -0.168  -6.395   0.845
   66   2HB   LYS  11          1HB       LYS  11  -1.892  -6.038   0.955
   67   1HG   LYS  11          2HG       LYS  11  -2.422  -8.199  -0.094
   68   2HG   LYS  11          1HG       LYS  11  -0.702  -8.558  -0.244
   69   1HD   LYS  11          2HD       LYS  11  -1.430  -7.787   2.477
   70   2HD   LYS  11          1HD       LYS  11  -2.317  -9.209   1.928
   71   1HE   LYS  11          2HE       LYS  11   0.573  -9.168   1.267
   72   2HE   LYS  11          1HE       LYS  11   0.184  -9.330   2.980
   73   1HZ   LYS  11          1HZ       LYS  11  -1.382 -11.137   2.308
   74   2HZ   LYS  11          3HZ       LYS  11  -0.714 -11.066   0.751
   75   3HZ   LYS  11          2HZ       LYS  11   0.262 -11.496   2.073
   76    H    CYS  12           H        CYS  12  -1.278  -3.388  -1.183
   77    HA   CYS  12           HA       CYS  12  -4.145  -3.322  -0.918
   78   1HB   CYS  12          2HB       CYS  12  -2.469  -0.955  -1.630
   79   2HB   CYS  12          1HB       CYS  12  -3.857  -1.070  -0.598
   80    H    ALA  13           H        ALA  13  -5.498  -3.505  -2.604
   81    HA   ALA  13           HA       ALA  13  -4.493  -3.086  -5.356
   82   1HB   ALA  13          3HB       ALA  13  -6.965  -4.284  -4.133
   83   2HB   ALA  13          2HB       ALA  13  -7.018  -3.729  -5.806
   84   3HB   ALA  13          1HB       ALA  13  -5.869  -4.979  -5.327
   85    H    THR  14           H        THR  14  -6.379  -1.558  -2.889
   86    HA   THR  14           HA       THR  14  -6.601   0.878  -4.540
   87    HB   THR  14           HB       THR  14  -8.978   1.113  -4.287
   88    HG1  THR  14           HG1      THR  14 -10.162  -0.304  -3.048
   89   1HG2  THR  14          2HG2      THR  14  -8.206  -0.420  -6.102
   90   2HG2  THR  14          1HG2      THR  14  -8.438  -1.780  -5.004
   91   3HG2  THR  14          3HG2      THR  14  -9.822  -0.814  -5.515
   92    H    LYS  15           H        LYS  15  -7.497   2.704  -3.069
   93    HA   LYS  15           HA       LYS  15  -5.983   2.708  -0.613
   94   1HB   LYS  15          2HB       LYS  15  -7.095   4.885  -0.198
   95   2HB   LYS  15          1HB       LYS  15  -6.468   4.788  -1.844
   96   1HG   LYS  15          2HG       LYS  15  -9.102   3.694  -1.856
   97   2HG   LYS  15          1HG       LYS  15  -9.166   5.240  -1.008
   98   1HD   LYS  15          2HD       LYS  15  -7.494   5.749  -3.173
   99   2HD   LYS  15          1HD       LYS  15  -8.746   4.703  -3.848
  100   1HE   LYS  15          2HE       LYS  15  -9.278   7.185  -3.903
  101   2HE   LYS  15          1HE       LYS  15 -10.492   6.178  -3.114
  102   1HZ   LYS  15          3HZ       LYS  15  -8.422   7.090  -1.341
  103   2HZ   LYS  15          2HZ       LYS  15  -9.323   8.358  -2.025
  104   3HZ   LYS  15          1HZ       LYS  15 -10.107   7.129  -1.150
  105    H    GLU  16           H        GLU  16  -9.067   1.489  -1.427
  106    HA   GLU  16           HA       GLU  16 -10.354   1.853   1.141
  107   1HB   GLU  16          2HB       GLU  16 -11.193   1.000  -1.337
  108   2HB   GLU  16          1HB       GLU  16 -11.153  -0.511  -0.427
  109   1HG   GLU  16          2HG       GLU  16 -12.380   1.884   0.880
  110   2HG   GLU  16          1HG       GLU  16 -13.301   1.060  -0.378
  111    H    GLU  17           H        GLU  17  -7.831  -0.156   0.054
  112    HA   GLU  17           HA       GLU  17  -8.242  -1.986   2.375
  113   1HB   GLU  17          2HB       GLU  17  -8.059  -3.628   0.828
  114   2HB   GLU  17          1HB       GLU  17  -7.639  -2.467  -0.427
  115   1HG   GLU  17          2HG       GLU  17  -5.341  -2.584   0.081
  116   2HG   GLU  17          1HG       GLU  17  -5.629  -3.385   1.621
  117    H    CYS  18           H        CYS  18  -6.143   0.228   0.730
  118    HA   CYS  18           HA       CYS  18  -3.587  -0.271   1.789
  119   1HB   CYS  18          2HB       CYS  18  -4.309   1.536   0.187
  120   2HB   CYS  18          1HB       CYS  18  -4.876   2.448   1.568
  121    H    SER  19           H        SER  19  -6.396   1.021   3.312
  122    HA   SER  19           HA       SER  19  -5.095   2.207   5.617
  123   1HB   SER  19          2HB       SER  19  -7.840   1.644   4.728
  124   2HB   SER  19          1HB       SER  19  -7.622   1.586   6.474
  125    HG   SER  19           HG       SER  19  -6.306   3.673   5.798
  126    H    LYS  20           H        LYS  20  -5.029  -0.885   4.758
  127    HA   LYS  20           HA       LYS  20  -5.427  -1.969   7.473
  128   1HB   LYS  20          2HB       LYS  20  -6.835  -3.092   5.940
  129   2HB   LYS  20          1HB       LYS  20  -5.586  -3.127   4.696
  130   1HG   LYS  20          2HG       LYS  20  -4.237  -4.641   6.151
  131   2HG   LYS  20          1HG       LYS  20  -5.579  -4.683   7.296
  132   1HD   LYS  20          2HD       LYS  20  -6.180  -5.308   4.439
  133   2HD   LYS  20          1HD       LYS  20  -5.321  -6.530   5.378
  134   1HE   LYS  20          2HE       LYS  20  -7.077  -6.654   6.998
  135   2HE   LYS  20          1HE       LYS  20  -7.858  -5.206   6.363
  136   1HZ   LYS  20          1HZ       LYS  20  -8.159  -6.448   4.245
  137   2HZ   LYS  20          3HZ       LYS  20  -7.610  -7.846   5.033
  138   3HZ   LYS  20          2HZ       LYS  20  -9.036  -7.084   5.554
  139    H    THR  21           H        THR  21  -3.147  -1.846   4.730
  140    HA   THR  21           HA       THR  21  -1.144  -3.188   6.465
  141    HB   THR  21           HB       THR  21  -0.856  -4.387   4.548
  142    HG1  THR  21           HG1      THR  21   0.755  -3.500   3.297
  143   1HG2  THR  21          1HG2      THR  21  -1.984  -1.984   3.092
  144   2HG2  THR  21          3HG2      THR  21  -1.467  -3.467   2.289
  145   3HG2  THR  21          2HG2      THR  21  -2.808  -3.506   3.433
  146    H    CYS  22           H        CYS  22  -1.977  -0.231   5.089
  147    HA   CYS  22           HA       CYS  22   0.394   1.013   6.361
  148   1HB   CYS  22          2HB       CYS  22  -0.209   2.266   3.766
  149   2HB   CYS  22          1HB       CYS  22   1.348   1.917   4.505
  150    H    THR  23           H        THR  23   0.063   3.581   5.993
  151    HA   THR  23           HA       THR  23  -2.788   4.098   6.694
  152    HB   THR  23           HB       THR  23  -0.336   5.739   7.357
  153    HG1  THR  23           HG1      THR  23  -1.658   3.654   8.635
  154   1HG2  THR  23          3HG2      THR  23  -3.224   5.929   8.260
  155   2HG2  THR  23          2HG2      THR  23  -1.899   6.872   8.942
  156   3HG2  THR  23          1HG2      THR  23  -2.359   7.091   7.254
  157    H    LYS  24           H        LYS  24  -0.489   4.532   4.342
  158    HA   LYS  24           HA       LYS  24  -2.193   6.444   2.884
  159   1HB   LYS  24          2HB       LYS  24   0.427   7.109   4.101
  160   2HB   LYS  24          1HB       LYS  24   0.231   7.614   2.427
  161   1HG   LYS  24          2HG       LYS  24  -2.194   8.312   3.572
  162   2HG   LYS  24          1HG       LYS  24  -1.032   8.667   4.851
  163   1HD   LYS  24          2HD       LYS  24   0.073  10.271   3.597
  164   2HD   LYS  24          1HD       LYS  24  -0.384   9.534   2.061
  165   1HE   LYS  24          2HE       LYS  24  -1.609  11.651   2.446
  166   2HE   LYS  24          1HE       LYS  24  -2.707  10.273   2.381
  167   1HZ   LYS  24          2HZ       LYS  24  -2.112  10.331   4.977
  168   2HZ   LYS  24          1HZ       LYS  24  -2.020  11.988   4.613
  169   3HZ   LYS  24          3HZ       LYS  24  -3.450  11.131   4.301
  170    HA   PRO  25           HA       PRO  25  -0.612   4.304  -0.668
  171   1HB   PRO  25          2HB       PRO  25  -0.248   6.348  -2.461
  172   2HB   PRO  25          1HB       PRO  25  -1.843   5.718  -2.014
  173   1HG   PRO  25          2HG       PRO  25  -0.529   8.269  -1.186
  174   2HG   PRO  25          1HG       PRO  25  -2.253   7.896  -1.351
  175   1HD   PRO  25          1HD       PRO  25  -0.853   8.023   1.076
  176   2HD   PRO  25          2HD       PRO  25  -2.429   7.243   0.845
  177    H    CYS  26           H        CYS  26   1.256   3.516   0.018
  178    HA   CYS  26           HA       CYS  26   3.725   4.795   0.415
  179   1HB   CYS  26          2HB       CYS  26   2.870   2.045  -0.491
  180   2HB   CYS  26          1HB       CYS  26   4.573   2.465  -0.466
  181    H    SER  27           H        SER  27   5.456   3.631  -1.569
  182    HA   SER  27           HA       SER  27   4.867   5.471  -3.783
  183   1HB   SER  27          2HB       SER  27   7.072   5.189  -4.423
  184   2HB   SER  27          1HB       SER  27   7.208   4.793  -2.712
  185    HG   SER  27           HG       SER  27   8.052   3.275  -4.471
  186    H    CYS  28           H        CYS  28   3.205   2.891  -3.208
  187    HA   CYS  28           HA       CYS  28   3.266   2.025  -6.062
  188   1HB   CYS  28          2HB       CYS  28   3.075  -0.413  -5.099
  189   2HB   CYS  28          1HB       CYS  28   4.660   0.335  -5.306
  190    H    CYS  29           H        CYS  29   1.521   2.131  -2.972
  191    HA   CYS  29           HA       CYS  29  -0.712   0.623  -3.788
  192   1HB   CYS  29          2HB       CYS  29  -0.943   3.003  -1.991
  193   2HB   CYS  29          1HB       CYS  29  -1.687   1.439  -1.877
  194    HA   PRO  30           HA       PRO  30  -3.076   3.603  -6.155
  195   1HB   PRO  30          2HB       PRO  30  -4.885   5.063  -4.688
  196   2HB   PRO  30          1HB       PRO  30  -5.116   3.357  -5.113
  197   1HG   PRO  30          2HG       PRO  30  -4.296   4.549  -2.492
  198   2HG   PRO  30          1HG       PRO  30  -5.202   3.062  -2.810
  199   1HD   PRO  30          1HD       PRO  30  -2.553   3.228  -2.121
  200   2HD   PRO  30          2HD       PRO  30  -3.311   1.808  -2.863
  201    H    LYS  31           HN       LYS  31  -3.047   5.774  -7.002
  202    HA   LYS  31           HA       LYS  31  -1.002   7.492  -5.802
  203   1HB   LYS  31          2HB       LYS  31  -2.603   7.502  -8.341
  204   2HB   LYS  31          1HB       LYS  31  -1.806   8.989  -7.825
  205   1HG   LYS  31          2HG       LYS  31   0.287   8.162  -8.219
  206   2HG   LYS  31          1HG       LYS  31  -0.146   6.536  -7.692
  207   1HD   LYS  31          2HD       LYS  31  -1.008   7.779 -10.320
  208   2HD   LYS  31          1HD       LYS  31   0.333   6.649 -10.139
  209   1HE   LYS  31          2HE       LYS  31  -1.442   5.120  -8.977
  210   2HE   LYS  31          1HE       LYS  31  -2.613   6.149  -9.801
  211   1HZ   LYS  31          1HZ       LYS  31  -0.559   5.432 -11.591
  212   2HZ   LYS  31          3HZ       LYS  31  -1.176   4.027 -10.867
  213   3HZ   LYS  31          2HZ       LYS  31  -2.221   5.088 -11.684
   
  Start of MODEL          10
 Raw file had  213 H/Q atoms
  Start of MODEL   10
    1   1H    SER   1          2H        SER   1  -7.210   4.851   2.279
    2   2H    SER   1          1H        SER   1  -7.835   5.634   0.906
    3   3H    SER   1          3H        SER   1  -8.719   5.627   2.353
    4    HA   SER   1           HA       SER   1  -9.001   3.226   2.214
    5   1HB   SER   1          2HB       SER   1 -10.293   5.173   0.736
    6   2HB   SER   1          1HB       SER   1  -9.843   4.002  -0.501
    7    HG   SER   1           HG       SER   1 -11.750   3.296   0.312
    8    HA   PRO   2           HA       PRO   2  -5.829   1.311  -0.084
    9   1HB   PRO   2          2HB       PRO   2  -6.477  -1.225   0.752
   10   2HB   PRO   2          1HB       PRO   2  -5.469  -0.071   1.626
   11   1HG   PRO   2          2HG       PRO   2  -8.191  -0.930   2.272
   12   2HG   PRO   2          1HG       PRO   2  -7.043  -0.024   3.266
   13   1HD   PRO   2          1HD       PRO   2  -9.313   0.979   1.818
   14   2HD   PRO   2          2HD       PRO   2  -8.179   1.847   2.866
   15    H    CYS   3           H        CYS   3  -5.504   0.265  -1.916
   16    HA   CYS   3           HA       CYS   3  -7.700   0.311  -3.749
   17   1HB   CYS   3          2HB       CYS   3  -5.995  -0.512  -5.386
   18   2HB   CYS   3          1HB       CYS   3  -5.542   0.936  -4.527
   19    H    GLN   4           H        GLN   4  -7.314  -1.735  -5.450
   20    HA   GLN   4           HA       GLN   4  -8.874  -3.846  -4.179
   21   1HB   GLN   4          2HB       GLN   4  -8.999  -4.783  -6.416
   22   2HB   GLN   4          1HB       GLN   4  -9.264  -3.041  -6.490
   23   1HG   GLN   4          2HG       GLN   4  -6.762  -2.822  -6.959
   24   2HG   GLN   4          1HG       GLN   4  -6.757  -4.567  -7.210
   25   1HE2  GLN   4          2HE2      GLN   4  -8.438  -4.392 -10.342
   26   2HE2  GLN   4          1HE2      GLN   4  -7.955  -5.412  -9.074
   27    H    LYS   5           H        LYS   5  -5.735  -3.403  -3.870
   28    HA   LYS   5           HA       LYS   5  -5.150  -6.335  -3.950
   29   1HB   LYS   5          2HB       LYS   5  -3.705  -4.085  -5.212
   30   2HB   LYS   5          1HB       LYS   5  -2.689  -5.224  -4.329
   31   1HG   LYS   5          2HG       LYS   5  -3.522  -7.083  -5.628
   32   2HG   LYS   5          1HG       LYS   5  -4.743  -6.065  -6.392
   33   1HD   LYS   5          2HD       LYS   5  -2.205  -4.819  -6.784
   34   2HD   LYS   5          1HD       LYS   5  -2.047  -6.518  -7.231
   35   1HE   LYS   5          2HE       LYS   5  -3.919  -6.361  -8.755
   36   2HE   LYS   5          1HE       LYS   5  -4.287  -4.726  -8.206
   37   1HZ   LYS   5          2HZ       LYS   5  -1.710  -5.494  -9.458
   38   2HZ   LYS   5          1HZ       LYS   5  -3.020  -4.852 -10.328
   39   3HZ   LYS   5          3HZ       LYS   5  -2.268  -3.925  -9.123
   40    H    CYS   6           H        CYS   6  -5.610  -3.779  -2.043
   41    HA   CYS   6           HA       CYS   6  -3.399  -4.376  -0.152
   42   1HB   CYS   6          2HB       CYS   6  -4.956  -2.049  -1.017
   43   2HB   CYS   6          1HB       CYS   6  -4.774  -2.141   0.720
   44    H    THR   7           H        THR   7  -6.807  -4.735  -0.658
   45    HA   THR   7           HA       THR   7  -7.829  -4.585   1.926
   46    HB   THR   7           HB       THR   7  -8.539  -6.574  -0.233
   47    HG1  THR   7           HG1      THR   7  -9.580  -4.960  -1.044
   48   1HG2  THR   7          3HG2      THR   7  -9.764  -5.955   2.439
   49   2HG2  THR   7          2HG2      THR   7 -10.792  -6.467   1.100
   50   3HG2  THR   7          1HG2      THR   7  -9.500  -7.522   1.673
   51    H    SER   8           H        SER   8  -7.748  -7.873   0.883
   52    HA   SER   8           HA       SER   8  -6.489  -8.548   3.472
   53   1HB   SER   8          2HB       SER   8  -7.465 -10.429   1.300
   54   2HB   SER   8          1HB       SER   8  -7.113 -10.835   2.977
   55    HG   SER   8           HG       SER   8  -9.369  -9.835   1.881
   56    H    GLY   9           H        GLY   9  -5.063  -7.184   1.205
   57   1HA   GLY   9          2HA       GLY   9  -2.815  -9.131   1.118
   58   2HA   GLY   9          1HA       GLY   9  -3.470  -8.622  -0.432
   59    H    CYS  10           H        CYS  10  -2.668  -6.774   2.582
   60    HA   CYS  10           HA       CYS  10  -1.573  -4.619   0.955
   61   1HB   CYS  10          2HB       CYS  10  -2.461  -4.260   3.291
   62   2HB   CYS  10          1HB       CYS  10  -1.048  -5.127   3.900
   63    H    LYS  11           H        LYS  11   0.211  -5.078  -0.236
   64    HA   LYS  11           HA       LYS  11   2.216  -6.958   0.875
   65   1HB   LYS  11          2HB       LYS  11   1.913  -5.720  -1.869
   66   2HB   LYS  11          1HB       LYS  11   3.205  -6.835  -1.421
   67   1HG   LYS  11          2HG       LYS  11   0.988  -8.186  -0.536
   68   2HG   LYS  11          1HG       LYS  11   0.362  -7.383  -1.977
   69   1HD   LYS  11          2HD       LYS  11   2.783  -9.198  -1.810
   70   2HD   LYS  11          1HD       LYS  11   1.269  -9.522  -2.655
   71   1HE   LYS  11          2HE       LYS  11   3.104  -7.204  -3.321
   72   2HE   LYS  11          1HE       LYS  11   3.130  -8.751  -4.166
   73   1HZ   LYS  11          1HZ       LYS  11   0.496  -8.049  -4.132
   74   2HZ   LYS  11          3HZ       LYS  11   1.290  -6.577  -4.415
   75   3HZ   LYS  11          2HZ       LYS  11   1.553  -7.896  -5.453
   76    H    CYS  12           H        CYS  12   1.857  -3.563   0.864
   77    HA   CYS  12           HA       CYS  12   4.643  -2.952   0.431
   78   1HB   CYS  12          2HB       CYS  12   2.697  -1.125   1.782
   79   2HB   CYS  12          1HB       CYS  12   3.975  -0.773   0.661
   80    H    ALA  13           H        ALA  13   6.146  -3.362   1.960
   81    HA   ALA  13           HA       ALA  13   5.333  -3.483   4.817
   82   1HB   ALA  13          3HB       ALA  13   7.380  -4.760   3.196
   83   2HB   ALA  13          2HB       ALA  13   8.102  -3.959   4.591
   84   3HB   ALA  13          1HB       ALA  13   6.842  -5.171   4.825
   85    H    THR  14           H        THR  14   6.973  -1.565   2.478
   86    HA   THR  14           HA       THR  14   7.386   0.582   4.469
   87    HB   THR  14           HB       THR  14   9.580  -0.386   4.476
   88    HG1  THR  14           HG1      THR  14  10.759   1.249   3.534
   89   1HG2  THR  14          3HG2      THR  14   8.994  -0.807   1.573
   90   2HG2  THR  14          2HG2      THR  14  10.676  -0.625   2.072
   91   3HG2  THR  14          1HG2      THR  14   9.691  -1.922   2.749
   92    H    LYS  15           H        LYS  15   7.726   2.700   3.283
   93    HA   LYS  15           HA       LYS  15   5.851   3.052   1.200
   94   1HB   LYS  15          2HB       LYS  15   8.303   4.796   1.456
   95   2HB   LYS  15          1HB       LYS  15   6.662   5.265   1.008
   96   1HG   LYS  15          2HG       LYS  15   6.425   4.070   3.542
   97   2HG   LYS  15          1HG       LYS  15   7.851   5.104   3.644
   98   1HD   LYS  15          2HD       LYS  15   5.304   6.122   2.400
   99   2HD   LYS  15          1HD       LYS  15   5.534   6.168   4.148
  100   1HE   LYS  15          2HE       LYS  15   7.732   7.210   2.406
  101   2HE   LYS  15          1HE       LYS  15   6.293   8.207   2.623
  102   1HZ   LYS  15          2HZ       LYS  15   6.735   7.474   5.126
  103   2HZ   LYS  15          1HZ       LYS  15   8.334   7.444   4.551
  104   3HZ   LYS  15          3HZ       LYS  15   7.421   8.870   4.443
  105    H    GLU  16           H        GLU  16   9.107   1.861   1.065
  106    HA   GLU  16           HA       GLU  16   9.706   2.471  -1.662
  107   1HB   GLU  16          2HB       GLU  16  11.225   1.438   0.192
  108   2HB   GLU  16          1HB       GLU  16  10.562  -0.104  -0.352
  109   1HG   GLU  16          2HG       GLU  16  11.209   0.636  -2.725
  110   2HG   GLU  16          1HG       GLU  16  12.162   1.903  -1.950
  111    H    GLU  17           H        GLU  17   8.284  -0.491  -0.221
  112    HA   GLU  17           HA       GLU  17   7.646  -1.626  -2.816
  113   1HB   GLU  17          2HB       GLU  17   6.313  -2.332  -0.194
  114   2HB   GLU  17          1HB       GLU  17   6.569  -3.370  -1.598
  115   1HG   GLU  17          2HG       GLU  17   9.126  -2.437  -0.881
  116   2HG   GLU  17          1HG       GLU  17   8.340  -2.864   0.638
  117    H    CYS  18           H        CYS  18   6.125   0.583  -0.621
  118    HA   CYS  18           HA       CYS  18   3.409   0.339  -1.502
  119   1HB   CYS  18          2HB       CYS  18   4.289   1.607   0.515
  120   2HB   CYS  18          1HB       CYS  18   4.738   2.887  -0.600
  121    H    SER  19           H        SER  19   6.180   2.113  -2.666
  122    HA   SER  19           HA       SER  19   4.719   3.780  -4.532
  123   1HB   SER  19          2HB       SER  19   7.064   4.224  -3.657
  124   2HB   SER  19          1HB       SER  19   7.623   2.944  -4.731
  125    HG   SER  19           HG       SER  19   5.966   4.888  -5.831
  126    H    LYS  20           H        LYS  20   5.292   0.497  -4.474
  127    HA   LYS  20           HA       LYS  20   5.412   0.252  -7.416
  128   1HB   LYS  20          2HB       LYS  20   7.091  -0.959  -6.125
  129   2HB   LYS  20          1HB       LYS  20   5.824  -1.740  -5.176
  130   1HG   LYS  20          2HG       LYS  20   5.440  -3.269  -6.776
  131   2HG   LYS  20          1HG       LYS  20   5.372  -2.032  -8.031
  132   1HD   LYS  20          2HD       LYS  20   7.293  -3.067  -8.745
  133   2HD   LYS  20          1HD       LYS  20   8.028  -2.014  -7.535
  134   1HE   LYS  20          2HE       LYS  20   8.334  -3.730  -6.019
  135   2HE   LYS  20          1HE       LYS  20   6.958  -4.651  -6.625
  136   1HZ   LYS  20          3HZ       LYS  20   9.148  -4.266  -8.492
  137   2HZ   LYS  20          2HZ       LYS  20   9.486  -5.266  -7.161
  138   3HZ   LYS  20          1HZ       LYS  20   8.196  -5.639  -8.203
  139    H    THR  21           H        THR  21   3.267  -0.233  -4.681
  140    HA   THR  21           HA       THR  21   1.356  -1.618  -6.504
  141    HB   THR  21           HB       THR  21   0.371  -2.684  -4.604
  142    HG1  THR  21           HG1      THR  21   1.704  -0.633  -3.283
  143   1HG2  THR  21          2HG2      THR  21   3.069  -3.008  -5.265
  144   2HG2  THR  21          1HG2      THR  21   3.048  -2.951  -3.502
  145   3HG2  THR  21          3HG2      THR  21   2.070  -4.144  -4.358
  146    H    CYS  22           H        CYS  22   1.929   1.158  -4.717
  147    HA   CYS  22           HA       CYS  22  -0.654   2.304  -5.552
  148   1HB   CYS  22          2HB       CYS  22   0.002   3.005  -2.756
  149   2HB   CYS  22          1HB       CYS  22  -1.564   2.689  -3.494
  150    H    THR  23           H        THR  23  -0.535   4.717  -4.324
  151    HA   THR  23           HA       THR  23   2.147   5.778  -5.090
  152    HB   THR  23           HB       THR  23  -0.493   7.235  -5.243
  153    HG1  THR  23           HG1      THR  23  -0.565   5.664  -6.780
  154   1HG2  THR  23          2HG2      THR  23   2.302   7.842  -6.235
  155   2HG2  THR  23          1HG2      THR  23   0.875   8.741  -6.750
  156   3HG2  THR  23          3HG2      THR  23   1.363   8.756  -5.055
  157    H    LYS  24           H        LYS  24  -0.048   5.332  -2.643
  158    HA   LYS  24           HA       LYS  24   1.499   7.001  -0.792
  159   1HB   LYS  24          2HB       LYS  24  -1.369   7.532  -0.454
  160   2HB   LYS  24          1HB       LYS  24  -0.014   8.657  -0.436
  161   1HG   LYS  24          2HG       LYS  24   0.046   8.621  -2.911
  162   2HG   LYS  24          1HG       LYS  24  -1.324   7.511  -2.923
  163   1HD   LYS  24          2HD       LYS  24  -2.765   9.225  -2.721
  164   2HD   LYS  24          1HD       LYS  24  -1.949   9.774  -1.256
  165   1HE   LYS  24          2HE       LYS  24  -0.185  10.522  -3.250
  166   2HE   LYS  24          1HE       LYS  24  -1.758  10.810  -3.993
  167   1HZ   LYS  24          2HZ       LYS  24  -2.245  11.846  -1.649
  168   2HZ   LYS  24          1HZ       LYS  24  -0.557  12.052  -1.634
  169   3HZ   LYS  24          3HZ       LYS  24  -1.485  12.750  -2.871
  170    HA   PRO  25           HA       PRO  25   0.090   4.019   2.184
  171   1HB   PRO  25          2HB       PRO  25  -0.623   5.539   4.346
  172   2HB   PRO  25          1HB       PRO  25   1.059   5.270   3.858
  173   1HG   PRO  25          2HG       PRO  25  -0.614   7.720   3.556
  174   2HG   PRO  25          1HG       PRO  25   1.147   7.571   3.685
  175   1HD   PRO  25          1HD       PRO  25  -0.302   8.008   1.304
  176   2HD   PRO  25          2HD       PRO  25   1.401   7.512   1.406
  177    H    CYS  26           H        CYS  26  -1.648   3.147   1.237
  178    HA   CYS  26           HA       CYS  26  -4.279   4.144   1.078
  179   1HB   CYS  26          2HB       CYS  26  -3.054   1.391   1.305
  180   2HB   CYS  26          1HB       CYS  26  -4.797   1.585   1.294
  181    H    SER  27           H        SER  27  -5.819   2.285   2.674
  182    HA   SER  27           HA       SER  27  -5.418   3.574   5.291
  183   1HB   SER  27          2HB       SER  27  -7.485   1.491   4.540
  184   2HB   SER  27          1HB       SER  27  -7.516   2.562   5.936
  185    HG   SER  27           HG       SER  27  -8.058   4.209   4.683
  186    H    CYS  28           H        CYS  28  -3.458   1.502   4.160
  187    HA   CYS  28           HA       CYS  28  -3.398  -0.119   6.660
  188   1HB   CYS  28          2HB       CYS  28  -2.849  -2.138   5.043
  189   2HB   CYS  28          1HB       CYS  28  -4.520  -1.737   5.449
  190    H    CYS  29           H        CYS  29  -1.715   0.972   3.718
  191    HA   CYS  29           HA       CYS  29   0.744  -0.304   4.234
  192   1HB   CYS  29          2HB       CYS  29   0.598   2.437   3.059
  193   2HB   CYS  29          1HB       CYS  29   1.546   1.062   2.585
  194    HA   PRO  30           HA       PRO  30   2.562   2.367   7.328
  195   1HB   PRO  30          2HB       PRO  30   4.189   4.323   6.282
  196   2HB   PRO  30          1HB       PRO  30   4.648   2.613   6.383
  197   1HG   PRO  30          2HG       PRO  30   3.696   4.171   3.999
  198   2HG   PRO  30          1HG       PRO  30   4.856   2.835   4.068
  199   1HD   PRO  30          1HD       PRO  30   2.272   2.633   3.252
  200   2HD   PRO  30          2HD       PRO  30   3.218   1.261   3.854
  201    H    LYS  31           HN       LYS  31   2.530   4.561   8.425
  202    HA   LYS  31           HA       LYS  31   0.853   6.621   7.130
  203   1HB   LYS  31          2HB       LYS  31  -0.717   6.644   9.102
  204   2HB   LYS  31          1HB       LYS  31  -0.855   5.198   8.100
  205   1HG   LYS  31          2HG       LYS  31   0.531   3.933   9.655
  206   2HG   LYS  31          1HG       LYS  31   0.817   5.381  10.622
  207   1HD   LYS  31          2HD       LYS  31  -0.925   4.117  11.716
  208   2HD   LYS  31          1HD       LYS  31  -1.682   5.529  10.977
  209   1HE   LYS  31          2HE       LYS  31  -3.050   3.606  10.454
  210   2HE   LYS  31          1HE       LYS  31  -2.222   4.093   8.975
  211   1HZ   LYS  31          2HZ       LYS  31  -0.701   2.248  10.555
  212   2HZ   LYS  31          1HZ       LYS  31  -2.194   1.605  10.061
  213   3HZ   LYS  31          3HZ       LYS  31  -1.099   2.189   8.905
   
  Start of MODEL          11
 Raw file had  213 H/Q atoms
  Start of MODEL   11
    1   1H    SER   1          2H        SER   1  -7.223   5.208   0.884
    2   2H    SER   1          1H        SER   1  -8.741   5.972   0.870
    3   3H    SER   1          3H        SER   1  -8.114   5.362   2.323
    4    HA   SER   1           HA       SER   1  -9.008   3.377   1.962
    5   1HB   SER   1          2HB       SER   1 -10.473   5.150   0.442
    6   2HB   SER   1          1HB       SER   1 -10.049   3.917  -0.742
    7    HG   SER   1           HG       SER   1 -11.253   2.514   0.291
    8    HA   PRO   2           HA       PRO   2  -6.082   1.244  -0.422
    9   1HB   PRO   2          2HB       PRO   2  -6.872  -1.253   0.410
   10   2HB   PRO   2          1HB       PRO   2  -5.802  -0.157   1.287
   11   1HG   PRO   2          2HG       PRO   2  -8.549  -0.883   1.953
   12   2HG   PRO   2          1HG       PRO   2  -7.371   0.013   2.920
   13   1HD   PRO   2          1HD       PRO   2  -9.603   1.043   1.394
   14   2HD   PRO   2          2HD       PRO   2  -8.502   1.886   2.499
   15    H    CYS   3           H        CYS   3  -5.810   0.269  -2.277
   16    HA   CYS   3           HA       CYS   3  -7.992   0.418  -4.104
   17   1HB   CYS   3          2HB       CYS   3  -6.314  -0.544  -5.727
   18   2HB   CYS   3          1HB       CYS   3  -5.834   0.923  -4.916
   19    H    GLN   4           H        GLN   4  -7.738  -1.671  -5.807
   20    HA   GLN   4           HA       GLN   4  -9.331  -3.699  -4.401
   21   1HB   GLN   4          2HB       GLN   4  -8.520  -4.061  -7.252
   22   2HB   GLN   4          1HB       GLN   4 -10.081  -4.345  -6.481
   23   1HG   GLN   4          2HG       GLN   4  -9.780  -1.636  -6.141
   24   2HG   GLN   4          1HG       GLN   4  -9.018  -1.888  -7.712
   25   1HE2  GLN   4          2HE2      GLN   4 -12.105  -3.198  -9.167
   26   2HE2  GLN   4          1HE2      GLN   4 -10.446  -3.554  -9.141
   27    H    LYS   5           H        LYS   5  -6.293  -3.470  -4.025
   28    HA   LYS   5           HA       LYS   5  -5.794  -6.393  -4.240
   29   1HB   LYS   5          2HB       LYS   5  -4.454  -4.279  -5.771
   30   2HB   LYS   5          1HB       LYS   5  -3.344  -5.331  -4.893
   31   1HG   LYS   5          2HG       LYS   5  -5.158  -7.127  -5.952
   32   2HG   LYS   5          1HG       LYS   5  -5.015  -5.925  -7.235
   33   1HD   LYS   5          2HD       LYS   5  -2.656  -7.259  -5.878
   34   2HD   LYS   5          1HD       LYS   5  -3.328  -7.764  -7.429
   35   1HE   LYS   5          2HE       LYS   5  -2.215  -6.130  -8.508
   36   2HE   LYS   5          1HE       LYS   5  -2.875  -4.907  -7.422
   37   1HZ   LYS   5          2HZ       LYS   5  -0.698  -6.666  -6.509
   38   2HZ   LYS   5          1HZ       LYS   5  -0.342  -5.315  -7.475
   39   3HZ   LYS   5          3HZ       LYS   5  -1.112  -5.107  -5.979
   40    H    CYS   6           H        CYS   6  -6.054  -3.911  -2.314
   41    HA   CYS   6           HA       CYS   6  -3.604  -4.387  -0.704
   42   1HB   CYS   6          2HB       CYS   6  -5.228  -2.107  -1.439
   43   2HB   CYS   6          1HB       CYS   6  -5.087  -2.216   0.306
   44    H    THR   7           H        THR   7  -7.147  -4.422  -0.618
   45    HA   THR   7           HA       THR   7  -7.537  -4.620   2.141
   46    HB   THR   7           HB       THR   7  -9.054  -6.175   0.034
   47    HG1  THR   7           HG1      THR   7  -9.542  -4.236  -0.587
   48   1HG2  THR   7          2HG2      THR   7  -9.304  -5.962   2.901
   49   2HG2  THR   7          1HG2      THR   7 -10.725  -5.269   2.120
   50   3HG2  THR   7          3HG2      THR   7 -10.254  -6.934   1.778
   51    H    SER   8           H        SER   8  -7.901  -7.603   0.300
   52    HA   SER   8           HA       SER   8  -6.573  -8.989   2.546
   53   1HB   SER   8          2HB       SER   8  -7.206 -11.050   1.190
   54   2HB   SER   8          1HB       SER   8  -8.568 -10.080   1.744
   55    HG   SER   8           HG       SER   8  -9.071  -9.973  -0.290
   56    H    GLY   9           H        GLY   9  -5.186  -7.155   0.542
   57   1HA   GLY   9          2HA       GLY   9  -3.031  -9.105  -0.080
   58   2HA   GLY   9          1HA       GLY   9  -3.740  -8.270  -1.454
   59    H    CYS  10           H        CYS  10  -3.211  -6.642   1.687
   60    HA   CYS  10           HA       CYS  10  -1.799  -4.504   0.396
   61   1HB   CYS  10          2HB       CYS  10  -2.837  -4.370   2.714
   62   2HB   CYS  10          1HB       CYS  10  -1.443  -5.280   3.303
   63    H    LYS  11           H        LYS  11   0.007  -4.988  -0.754
   64    HA   LYS  11           HA       LYS  11   1.924  -6.958   0.370
   65   1HB   LYS  11          2HB       LYS  11   1.234  -5.983  -2.311
   66   2HB   LYS  11          1HB       LYS  11   2.970  -6.150  -2.043
   67   1HG   LYS  11          2HG       LYS  11   2.749  -8.454  -1.436
   68   2HG   LYS  11          1HG       LYS  11   0.992  -8.325  -1.333
   69   1HD   LYS  11          2HD       LYS  11   0.812  -8.840  -3.513
   70   2HD   LYS  11          1HD       LYS  11   1.808  -7.446  -3.933
   71   1HE   LYS  11          2HE       LYS  11   2.826 -10.197  -3.163
   72   2HE   LYS  11          1HE       LYS  11   2.846  -9.498  -4.782
   73   1HZ   LYS  11          3HZ       LYS  11   4.040  -7.751  -2.882
   74   2HZ   LYS  11          2HZ       LYS  11   4.802  -9.269  -2.871
   75   3HZ   LYS  11          1HZ       LYS  11   4.689  -8.384  -4.315
   76    H    CYS  12           H        CYS  12   1.552  -3.587   0.469
   77    HA   CYS  12           HA       CYS  12   4.347  -2.941   0.187
   78   1HB   CYS  12          2HB       CYS  12   2.333  -1.164   1.485
   79   2HB   CYS  12          1HB       CYS  12   3.648  -0.777   0.420
   80    H    ALA  13           H        ALA  13   5.773  -3.360   1.799
   81    HA   ALA  13           HA       ALA  13   4.829  -3.712   4.572
   82   1HB   ALA  13          3HB       ALA  13   7.343  -4.225   3.065
   83   2HB   ALA  13          2HB       ALA  13   7.538  -3.790   4.763
   84   3HB   ALA  13          1HB       ALA  13   6.569  -5.195   4.318
   85    H    THR  14           H        THR  14   6.157  -1.318   2.500
   86    HA   THR  14           HA       THR  14   5.913   0.733   4.566
   87    HB   THR  14           HB       THR  14   8.496   1.166   3.402
   88    HG1  THR  14           HG1      THR  14   9.404  -0.706   3.542
   89   1HG2  THR  14          3HG2      THR  14   7.438   0.616   6.177
   90   2HG2  THR  14          2HG2      THR  14   9.140   0.966   5.873
   91   3HG2  THR  14          1HG2      THR  14   7.908   2.166   5.479
   92    H    LYS  15           H        LYS  15   7.045   2.853   3.292
   93    HA   LYS  15           HA       LYS  15   5.276   3.254   1.050
   94   1HB   LYS  15          2HB       LYS  15   6.378   5.420   0.812
   95   2HB   LYS  15          1HB       LYS  15   6.108   5.096   2.526
   96   1HG   LYS  15          2HG       LYS  15   8.313   5.382   2.875
   97   2HG   LYS  15          1HG       LYS  15   8.610   3.943   1.900
   98   1HD   LYS  15          2HD       LYS  15   9.376   5.162   0.162
   99   2HD   LYS  15          1HD       LYS  15   8.018   6.283   0.256
  100   1HE   LYS  15          2HE       LYS  15   9.145   7.752   1.610
  101   2HE   LYS  15          1HE       LYS  15  10.047   6.472   2.423
  102   1HZ   LYS  15          1HZ       LYS  15  10.968   6.311  -0.097
  103   2HZ   LYS  15          3HZ       LYS  15  10.718   7.982   0.059
  104   3HZ   LYS  15          2HZ       LYS  15  11.730   7.169   1.156
  105    H    GLU  16           H        GLU  16   8.548   2.082   1.363
  106    HA   GLU  16           HA       GLU  16   9.496   2.582  -1.275
  107   1HB   GLU  16          2HB       GLU  16  10.240   0.879   0.984
  108   2HB   GLU  16          1HB       GLU  16  10.569   0.112  -0.571
  109   1HG   GLU  16          2HG       GLU  16  11.354   2.839  -0.794
  110   2HG   GLU  16          1HG       GLU  16  12.027   2.220   0.714
  111    H    GLU  17           H        GLU  17   7.806  -0.279   0.044
  112    HA   GLU  17           HA       GLU  17   7.559  -1.489  -2.605
  113   1HB   GLU  17          2HB       GLU  17   6.002  -2.257  -0.137
  114   2HB   GLU  17          1HB       GLU  17   6.477  -3.288  -1.486
  115   1HG   GLU  17          2HG       GLU  17   8.778  -2.012  -0.232
  116   2HG   GLU  17          1HG       GLU  17   7.857  -2.978   0.920
  117    H    CYS  18           H        CYS  18   5.807   0.754  -0.693
  118    HA   CYS  18           HA       CYS  18   3.147   0.372  -1.696
  119   1HB   CYS  18          2HB       CYS  18   3.972   1.836   0.240
  120   2HB   CYS  18          1HB       CYS  18   4.356   3.031  -0.985
  121    H    SER  19           H        SER  19   5.962   1.934  -2.943
  122    HA   SER  19           HA       SER  19   4.603   3.480  -4.995
  123   1HB   SER  19          2HB       SER  19   7.289   3.120  -4.062
  124   2HB   SER  19          1HB       SER  19   7.264   2.874  -5.805
  125    HG   SER  19           HG       SER  19   6.398   4.884  -6.071
  126    H    LYS  20           H        LYS  20   4.790   0.241  -4.617
  127    HA   LYS  20           HA       LYS  20   5.215  -0.378  -7.467
  128   1HB   LYS  20          2HB       LYS  20   6.499  -1.737  -5.981
  129   2HB   LYS  20          1HB       LYS  20   5.105  -2.025  -4.941
  130   1HG   LYS  20          2HG       LYS  20   4.589  -3.849  -6.140
  131   2HG   LYS  20          1HG       LYS  20   4.391  -2.843  -7.576
  132   1HD   LYS  20          2HD       LYS  20   6.435  -3.411  -8.411
  133   2HD   LYS  20          1HD       LYS  20   7.195  -3.393  -6.819
  134   1HE   LYS  20          2HE       LYS  20   7.220  -5.656  -7.052
  135   2HE   LYS  20          1HE       LYS  20   5.524  -5.544  -6.582
  136   1HZ   LYS  20          2HZ       LYS  20   6.159  -5.120  -9.397
  137   2HZ   LYS  20          1HZ       LYS  20   6.292  -6.709  -8.810
  138   3HZ   LYS  20          3HZ       LYS  20   4.816  -5.883  -8.689
  139    H    THR  21           H        THR  21   2.769  -0.772  -4.881
  140    HA   THR  21           HA       THR  21   0.869  -1.622  -7.005
  141    HB   THR  21           HB       THR  21   1.078  -3.241  -5.186
  142    HG1  THR  21           HG1      THR  21  -1.340  -1.861  -4.749
  143   1HG2  THR  21          2HG2      THR  21   1.230  -0.854  -3.624
  144   2HG2  THR  21          1HG2      THR  21  -0.140  -1.804  -3.048
  145   3HG2  THR  21          3HG2      THR  21   1.469  -2.521  -3.098
  146    H    CYS  22           H        CYS  22   1.645   0.925  -4.971
  147    HA   CYS  22           HA       CYS  22  -0.740   2.397  -5.899
  148   1HB   CYS  22          2HB       CYS  22  -0.347   2.990  -3.071
  149   2HB   CYS  22          1HB       CYS  22  -1.834   2.625  -3.937
  150    H    THR  23           H        THR  23  -0.523   4.718  -4.586
  151    HA   THR  23           HA       THR  23   2.316   5.547  -4.965
  152    HB   THR  23           HB       THR  23  -0.188   7.102  -5.630
  153    HG1  THR  23           HG1      THR  23   0.563   5.314  -7.041
  154   1HG2  THR  23          3HG2      THR  23   2.542   7.913  -5.137
  155   2HG2  THR  23          2HG2      THR  23   2.094   8.263  -6.806
  156   3HG2  THR  23          1HG2      THR  23   1.133   8.916  -5.480
  157    H    LYS  24           H        LYS  24  -0.278   5.348  -2.891
  158    HA   LYS  24           HA       LYS  24   1.068   7.123  -0.935
  159   1HB   LYS  24          2HB       LYS  24  -1.388   7.745  -2.305
  160   2HB   LYS  24          1HB       LYS  24  -1.724   7.513  -0.590
  161   1HG   LYS  24          2HG       LYS  24  -0.997   9.640  -0.321
  162   2HG   LYS  24          1HG       LYS  24   0.623   8.988  -0.570
  163   1HD   LYS  24          2HD       LYS  24  -0.379   9.255  -3.153
  164   2HD   LYS  24          1HD       LYS  24  -0.975  10.694  -2.324
  165   1HE   LYS  24          2HE       LYS  24   1.366  11.084  -1.478
  166   2HE   LYS  24          1HE       LYS  24   1.902   9.761  -2.514
  167   1HZ   LYS  24          3HZ       LYS  24   0.647  11.096  -4.327
  168   2HZ   LYS  24          2HZ       LYS  24   0.857  12.404  -3.264
  169   3HZ   LYS  24          1HZ       LYS  24   2.209  11.569  -3.866
  170    HA   PRO  25           HA       PRO  25  -0.272   4.140   2.075
  171   1HB   PRO  25          2HB       PRO  25  -1.179   5.705   4.129
  172   2HB   PRO  25          1HB       PRO  25   0.539   5.550   3.720
  173   1HG   PRO  25          2HG       PRO  25  -1.308   7.838   3.229
  174   2HG   PRO  25          1HG       PRO  25   0.451   7.841   3.438
  175   1HD   PRO  25          1HD       PRO  25  -0.924   8.040   0.982
  176   2HD   PRO  25          2HD       PRO  25   0.807   7.702   1.178
  177    H    CYS  26           H        CYS  26  -1.965   3.169   0.991
  178    HA   CYS  26           HA       CYS  26  -4.633   4.088   0.795
  179   1HB   CYS  26          2HB       CYS  26  -3.338   1.367   0.992
  180   2HB   CYS  26          1HB       CYS  26  -5.084   1.511   0.975
  181    H    SER  27           H        SER  27  -6.199   2.261   2.349
  182    HA   SER  27           HA       SER  27  -5.807   3.494   4.989
  183   1HB   SER  27          2HB       SER  27  -7.840   1.415   4.134
  184   2HB   SER  27          1HB       SER  27  -7.867   2.341   5.630
  185    HG   SER  27           HG       SER  27  -9.142   3.473   4.274
  186    H    CYS  28           H        CYS  28  -3.788   1.477   3.867
  187    HA   CYS  28           HA       CYS  28  -3.717  -0.160   6.345
  188   1HB   CYS  28          2HB       CYS  28  -3.185  -2.180   4.730
  189   2HB   CYS  28          1HB       CYS  28  -4.854  -1.767   5.133
  190    H    CYS  29           H        CYS  29  -2.036   0.964   3.409
  191    HA   CYS  29           HA       CYS  29   0.406  -0.342   3.917
  192   1HB   CYS  29          2HB       CYS  29   0.295   2.399   2.743
  193   2HB   CYS  29          1HB       CYS  29   1.228   1.014   2.272
  194    HA   PRO  30           HA       PRO  30   2.315   2.278   6.996
  195   1HB   PRO  30          2HB       PRO  30   3.961   4.210   5.939
  196   2HB   PRO  30          1HB       PRO  30   4.386   2.490   6.017
  197   1HG   PRO  30          2HG       PRO  30   3.440   4.093   3.663
  198   2HG   PRO  30          1HG       PRO  30   4.559   2.720   3.703
  199   1HD   PRO  30          1HD       PRO  30   1.949   2.615   2.933
  200   2HD   PRO  30          2HD       PRO  30   2.873   1.207   3.482
  201    H    LYS  31           HN       LYS  31   2.378   4.441   8.119
  202    HA   LYS  31           HA       LYS  31  -0.069   5.856   7.871
  203   1HB   LYS  31          2HB       LYS  31   1.121   7.603   9.299
  204   2HB   LYS  31          1HB       LYS  31   1.114   5.967   9.958
  205   1HG   LYS  31          2HG       LYS  31   3.391   6.409   8.189
  206   2HG   LYS  31          1HG       LYS  31   3.371   7.553   9.531
  207   1HD   LYS  31          2HD       LYS  31   2.817   5.386  10.948
  208   2HD   LYS  31          1HD       LYS  31   3.591   4.566   9.593
  209   1HE   LYS  31          2HE       LYS  31   4.838   6.864  11.127
  210   2HE   LYS  31          1HE       LYS  31   5.190   5.163  11.430
  211   1HZ   LYS  31          2HZ       LYS  31   5.394   5.999   8.664
  212   2HZ   LYS  31          1HZ       LYS  31   6.548   6.683   9.706
  213   3HZ   LYS  31          3HZ       LYS  31   6.417   4.996   9.575
   
  Start of MODEL          12
 Raw file had  213 H/Q atoms
  Start of MODEL   12
    1   1H    SER   1          2H        SER   1   6.264   4.962  -1.416
    2   2H    SER   1          1H        SER   1   7.502   5.729  -2.290
    3   3H    SER   1          3H        SER   1   6.587   4.502  -3.018
    4    HA   SER   1           HA       SER   1   8.367   3.238  -2.477
    5   1HB   SER   1          2HB       SER   1   8.800   5.442  -0.510
    6   2HB   SER   1          1HB       SER   1   9.515   3.876  -0.137
    7    HG   SER   1           HG       SER   1  10.128   4.111  -2.559
    8    HA   PRO   2           HA       PRO   2   5.798   0.747   0.066
    9   1HB   PRO   2          2HB       PRO   2   7.158  -1.565  -0.575
   10   2HB   PRO   2          1HB       PRO   2   5.836  -0.841  -1.478
   11   1HG   PRO   2          2HG       PRO   2   8.664  -0.937  -2.208
   12   2HG   PRO   2          1HG       PRO   2   7.278  -0.479  -3.204
   13   1HD   PRO   2          1HD       PRO   2   9.212   1.234  -1.969
   14   2HD   PRO   2          2HD       PRO   2   7.836   1.656  -3.001
   15    H    CYS   3           H        CYS   3   5.761   0.347   2.033
   16    HA   CYS   3           HA       CYS   3   8.023   0.780   3.724
   17   1HB   CYS   3          2HB       CYS   3   6.354   0.094   5.522
   18   2HB   CYS   3          1HB       CYS   3   5.896   1.442   4.517
   19    H    GLN   4           H        GLN   4   7.641  -1.118   5.738
   20    HA   GLN   4           HA       GLN   4   9.273  -3.303   4.680
   21   1HB   GLN   4          2HB       GLN   4   9.483  -3.981   6.979
   22   2HB   GLN   4          1HB       GLN   4   9.624  -2.226   6.901
   23   1HG   GLN   4          2HG       GLN   4   7.425  -1.901   7.729
   24   2HG   GLN   4          1HG       GLN   4   6.981  -3.581   7.435
   25   1HE2  GLN   4          2HE2      GLN   4   8.716  -4.791  10.363
   26   2HE2  GLN   4          1HE2      GLN   4   8.296  -5.241   8.781
   27    H    LYS   5           H        LYS   5   6.194  -2.996   4.213
   28    HA   LYS   5           HA       LYS   5   5.639  -5.897   4.609
   29   1HB   LYS   5          2HB       LYS   5   4.230  -3.607   5.799
   30   2HB   LYS   5          1HB       LYS   5   3.172  -4.763   4.989
   31   1HG   LYS   5          2HG       LYS   5   5.310  -5.826   6.794
   32   2HG   LYS   5          1HG       LYS   5   3.875  -5.113   7.530
   33   1HD   LYS   5          2HD       LYS   5   2.446  -6.617   6.176
   34   2HD   LYS   5          1HD       LYS   5   3.893  -7.354   5.487
   35   1HE   LYS   5          2HE       LYS   5   2.978  -7.416   8.370
   36   2HE   LYS   5          1HE       LYS   5   3.222  -8.784   7.284
   37   1HZ   LYS   5          2HZ       LYS   5   5.587  -8.231   7.209
   38   2HZ   LYS   5          1HZ       LYS   5   5.332  -6.964   8.312
   39   3HZ   LYS   5          3HZ       LYS   5   5.074  -8.570   8.793
   40    H    CYS   6           H        CYS   6   5.983  -3.524   2.465
   41    HA   CYS   6           HA       CYS   6   3.667  -4.268   0.752
   42   1HB   CYS   6          2HB       CYS   6   5.304  -1.894   1.257
   43   2HB   CYS   6          1HB       CYS   6   5.070  -2.222  -0.447
   44    H    THR   7           H        THR   7   7.131  -4.557   1.063
   45    HA   THR   7           HA       THR   7   7.954  -4.719  -1.582
   46    HB   THR   7           HB       THR   7   8.842  -6.418   0.750
   47    HG1  THR   7           HG1      THR   7  10.664  -4.851   0.440
   48   1HG2  THR   7          2HG2      THR   7   9.396  -6.810  -1.980
   49   2HG2  THR   7          1HG2      THR   7  10.824  -6.014  -1.319
   50   3HG2  THR   7          3HG2      THR   7  10.250  -7.524  -0.612
   51    H    SER   8           H        SER   8   7.973  -7.868  -0.159
   52    HA   SER   8           HA       SER   8   6.563  -8.828  -2.574
   53   1HB   SER   8          2HB       SER   8   7.065 -11.109  -1.463
   54   2HB   SER   8          1HB       SER   8   8.447 -10.186  -2.044
   55    HG   SER   8           HG       SER   8   8.818 -10.901   0.065
   56    H    GLY   9           H        GLY   9   5.237  -7.213  -0.448
   57   1HA   GLY   9          2HA       GLY   9   3.034  -9.152   0.042
   58   2HA   GLY   9          1HA       GLY   9   3.764  -8.424   1.465
   59    H    CYS  10           H        CYS  10   3.048  -6.804  -1.672
   60    HA   CYS  10           HA       CYS  10   1.860  -4.561  -0.300
   61   1HB   CYS  10          2HB       CYS  10   2.743  -4.468  -2.663
   62   2HB   CYS  10          1HB       CYS  10   1.331  -5.398  -3.167
   63    H    LYS  11           H        LYS  11   0.031  -4.772   0.874
   64    HA   LYS  11           HA       LYS  11  -1.947  -6.829   0.047
   65   1HB   LYS  11          2HB       LYS  11  -0.956  -6.074   2.522
   66   2HB   LYS  11          1HB       LYS  11  -2.563  -5.347   2.486
   67   1HG   LYS  11          2HG       LYS  11  -3.503  -7.553   1.791
   68   2HG   LYS  11          1HG       LYS  11  -1.896  -8.259   1.965
   69   1HD   LYS  11          2HD       LYS  11  -1.971  -7.259   4.370
   70   2HD   LYS  11          1HD       LYS  11  -3.712  -7.159   4.102
   71   1HE   LYS  11          2HE       LYS  11  -3.583  -9.625   3.398
   72   2HE   LYS  11          1HE       LYS  11  -1.966  -9.625   4.101
   73   1HZ   LYS  11          2HZ       LYS  11  -2.967  -8.794   6.181
   74   2HZ   LYS  11          1HZ       LYS  11  -4.508  -8.979   5.489
   75   3HZ   LYS  11          3HZ       LYS  11  -3.527 -10.338   5.745
   76    H    CYS  12           H        CYS  12  -1.574  -3.451  -0.349
   77    HA   CYS  12           HA       CYS  12  -4.379  -2.808  -0.099
   78   1HB   CYS  12          2HB       CYS  12  -2.376  -1.118  -1.534
   79   2HB   CYS  12          1HB       CYS  12  -3.694  -0.659  -0.503
   80    H    ALA  13           H        ALA  13  -5.830  -3.273  -1.663
   81    HA   ALA  13           HA       ALA  13  -4.903  -3.795  -4.432
   82   1HB   ALA  13          2HB       ALA  13  -6.960  -4.861  -2.845
   83   2HB   ALA  13          1HB       ALA  13  -7.790  -3.845  -4.024
   84   3HB   ALA  13          3HB       ALA  13  -6.724  -5.140  -4.570
   85    H    THR  14           H        THR  14  -6.371  -1.399  -2.454
   86    HA   THR  14           HA       THR  14  -6.415   0.509  -4.697
   87    HB   THR  14           HB       THR  14  -8.865   0.404  -2.960
   88    HG1  THR  14           HG1      THR  14  -9.718  -1.182  -4.089
   89   1HG2  THR  14          1HG2      THR  14  -7.963   1.657  -5.482
   90   2HG2  THR  14          3HG2      THR  14  -9.627   1.073  -5.489
   91   3HG2  THR  14          2HG2      THR  14  -9.109   2.245  -4.277
   92    H    LYS  15           H        LYS  15  -7.232   2.752  -3.564
   93    HA   LYS  15           HA       LYS  15  -5.297   3.294  -1.509
   94   1HB   LYS  15          2HB       LYS  15  -6.627   5.462  -1.254
   95   2HB   LYS  15          1HB       LYS  15  -6.008   5.134  -2.873
   96   1HG   LYS  15          2HG       LYS  15  -8.516   3.850  -2.736
   97   2HG   LYS  15          1HG       LYS  15  -8.749   5.440  -2.009
   98   1HD   LYS  15          2HD       LYS  15  -7.090   5.663  -4.365
   99   2HD   LYS  15          1HD       LYS  15  -8.596   4.835  -4.760
  100   1HE   LYS  15          2HE       LYS  15  -9.918   6.650  -4.130
  101   2HE   LYS  15          1HE       LYS  15  -8.678   7.311  -3.063
  102   1HZ   LYS  15          2HZ       LYS  15  -7.488   7.315  -5.500
  103   2HZ   LYS  15          1HZ       LYS  15  -9.091   7.740  -5.868
  104   3HZ   LYS  15          3HZ       LYS  15  -8.206   8.661  -4.752
  105    H    GLU  16           H        GLU  16  -8.711   2.412  -1.430
  106    HA   GLU  16           HA       GLU  16  -9.277   3.046   1.277
  107   1HB   GLU  16          2HB       GLU  16 -10.435   1.355  -0.804
  108   2HB   GLU  16          1HB       GLU  16 -10.610   0.640   0.799
  109   1HG   GLU  16          2HG       GLU  16 -11.177   3.369   1.150
  110   2HG   GLU  16          1HG       GLU  16 -11.999   2.916  -0.343
  111    H    GLU  17           H        GLU  17  -7.843   0.121  -0.157
  112    HA   GLU  17           HA       GLU  17  -7.462  -1.181   2.418
  113   1HB   GLU  17          2HB       GLU  17  -5.954  -1.806  -0.127
  114   2HB   GLU  17          1HB       GLU  17  -6.385  -2.907   1.183
  115   1HG   GLU  17          2HG       GLU  17  -8.846  -1.947   0.411
  116   2HG   GLU  17          1HG       GLU  17  -7.983  -2.022  -1.125
  117    H    CYS  18           H        CYS  18  -5.740   1.124   0.503
  118    HA   CYS  18           HA       CYS  18  -3.088   0.725   1.508
  119   1HB   CYS  18          2HB       CYS  18  -3.943   2.154  -0.459
  120   2HB   CYS  18          1HB       CYS  18  -4.231   3.387   0.753
  121    H    SER  19           H        SER  19  -5.887   2.354   2.733
  122    HA   SER  19           HA       SER  19  -4.480   3.916   4.741
  123   1HB   SER  19          2HB       SER  19  -7.131   3.727   3.790
  124   2HB   SER  19          1HB       SER  19  -7.202   3.287   5.494
  125    HG   SER  19           HG       SER  19  -5.747   5.248   5.700
  126    H    LYS  20           H        LYS  20  -4.800   0.655   4.417
  127    HA   LYS  20           HA       LYS  20  -5.196   0.104   7.274
  128   1HB   LYS  20          2HB       LYS  20  -6.481  -1.250   5.759
  129   2HB   LYS  20          1HB       LYS  20  -5.045  -1.632   4.807
  130   1HG   LYS  20          2HG       LYS  20  -4.058  -2.759   6.771
  131   2HG   LYS  20          1HG       LYS  20  -5.527  -2.421   7.687
  132   1HD   LYS  20          2HD       LYS  20  -6.106  -3.674   5.117
  133   2HD   LYS  20          1HD       LYS  20  -5.063  -4.681   6.122
  134   1HE   LYS  20          2HE       LYS  20  -6.671  -4.965   7.746
  135   2HE   LYS  20          1HE       LYS  20  -7.398  -3.386   7.452
  136   1HZ   LYS  20          3HZ       LYS  20  -7.913  -4.564   5.145
  137   2HZ   LYS  20          2HZ       LYS  20  -7.898  -5.938   6.144
  138   3HZ   LYS  20          1HZ       LYS  20  -8.965  -4.657   6.473
  139    H    THR  21           H        THR  21  -2.729  -0.359   4.708
  140    HA   THR  21           HA       THR  21  -0.861  -1.154   6.887
  141    HB   THR  21           HB       THR  21  -0.738  -2.936   5.418
  142    HG1  THR  21           HG1      THR  21   1.030  -1.102   4.184
  143   1HG2  THR  21          2HG2      THR  21  -1.127  -0.923   3.188
  144   2HG2  THR  21          1HG2      THR  21  -0.901  -2.655   2.946
  145   3HG2  THR  21          3HG2      THR  21  -2.328  -2.063   3.795
  146    H    CYS  22           H        CYS  22  -1.598   1.326   4.783
  147    HA   CYS  22           HA       CYS  22   0.855   2.755   5.599
  148   1HB   CYS  22          2HB       CYS  22   0.343   3.265   2.760
  149   2HB   CYS  22          1HB       CYS  22   1.868   2.973   3.585
  150    H    THR  23           H        THR  23   0.655   5.050   4.269
  151    HA   THR  23           HA       THR  23  -2.137   5.975   4.767
  152    HB   THR  23           HB       THR  23   0.251   7.782   4.889
  153    HG1  THR  23           HG1      THR  23   0.876   6.329   6.352
  154   1HG2  THR  23          2HG2      THR  23  -2.555   8.005   5.345
  155   2HG2  THR  23          1HG2      THR  23  -1.742   8.237   6.892
  156   3HG2  THR  23          3HG2      THR  23  -1.326   9.258   5.515
  157    H    LYS  24           H        LYS  24   0.279   5.538   2.529
  158    HA   LYS  24           HA       LYS  24  -1.202   7.048   0.471
  159   1HB   LYS  24          2HB       LYS  24   1.551   7.700   1.460
  160   2HB   LYS  24          1HB       LYS  24   1.228   7.870  -0.263
  161   1HG   LYS  24          2HG       LYS  24  -0.985   9.007   1.111
  162   2HG   LYS  24          1HG       LYS  24   0.477   9.631   1.877
  163   1HD   LYS  24          2HD       LYS  24   1.275  10.576  -0.126
  164   2HD   LYS  24          1HD       LYS  24   0.225   9.570  -1.125
  165   1HE   LYS  24          2HE       LYS  24  -0.554  11.925   0.602
  166   2HE   LYS  24          1HE       LYS  24  -0.777  11.733  -1.137
  167   1HZ   LYS  24          1HZ       LYS  24  -2.148   9.672  -0.401
  168   2HZ   LYS  24          3HZ       LYS  24  -2.264  10.499   1.074
  169   3HZ   LYS  24          2HZ       LYS  24  -2.848  11.219  -0.349
  170    HA   PRO  25           HA       PRO  25   0.147   3.714  -2.120
  171   1HB   PRO  25          2HB       PRO  25   0.593   5.014  -4.492
  172   2HB   PRO  25          1HB       PRO  25  -1.026   4.667  -3.860
  173   1HG   PRO  25          2HG       PRO  25   0.452   7.263  -3.921
  174   2HG   PRO  25          1HG       PRO  25  -1.294   6.965  -3.969
  175   1HD   PRO  25          1HD       PRO  25   0.130   7.806  -1.706
  176   2HD   PRO  25          2HD       PRO  25  -1.484   7.067  -1.678
  177    H    CYS  26           H        CYS  26   1.985   3.063  -1.239
  178    HA   CYS  26           HA       CYS  26   4.534   4.245  -1.308
  179   1HB   CYS  26          2HB       CYS  26   3.558   1.374  -1.320
  180   2HB   CYS  26          1HB       CYS  26   5.267   1.770  -1.288
  181    H    SER  27           H        SER  27   6.103   2.322  -2.838
  182    HA   SER  27           HA       SER  27   5.578   3.431  -5.504
  183   1HB   SER  27          2HB       SER  27   7.690   2.647  -6.111
  184   2HB   SER  27          1HB       SER  27   7.902   2.918  -4.383
  185    HG   SER  27           HG       SER  27   8.557   0.794  -5.327
  186    H    CYS  28           H        CYS  28   3.770   1.265  -4.073
  187    HA   CYS  28           HA       CYS  28   3.606  -0.407  -6.556
  188   1HB   CYS  28          2HB       CYS  28   3.165  -2.380  -4.886
  189   2HB   CYS  28          1HB       CYS  28   4.821  -1.915  -5.284
  190    H    CYS  29           H        CYS  29   1.940   0.858  -3.686
  191    HA   CYS  29           HA       CYS  29  -0.439  -0.607  -4.010
  192   1HB   CYS  29          2HB       CYS  29  -0.413   2.228  -3.075
  193   2HB   CYS  29          1HB       CYS  29  -1.301   0.862  -2.476
  194    HA   PRO  30           HA       PRO  30  -2.575   1.665  -7.221
  195   1HB   PRO  30          2HB       PRO  30  -4.183   3.709  -6.332
  196   2HB   PRO  30          1HB       PRO  30  -4.599   1.992  -6.175
  197   1HG   PRO  30          2HG       PRO  30  -3.578   3.882  -4.086
  198   2HG   PRO  30          1HG       PRO  30  -4.656   2.489  -3.903
  199   1HD   PRO  30          1HD       PRO  30  -1.992   2.555  -3.275
  200   2HD   PRO  30          2HD       PRO  30  -2.918   1.068  -3.543
  201    H    LYS  31           HN       LYS  31  -2.705   3.685  -8.592
  202    HA   LYS  31           HA       LYS  31  -0.236   5.200  -8.382
  203   1HB   LYS  31          2HB       LYS  31  -1.564   4.493 -10.516
  204   2HB   LYS  31          1HB       LYS  31  -2.520   5.941 -10.199
  205   1HG   LYS  31          2HG       LYS  31  -0.736   7.373 -10.592
  206   2HG   LYS  31          1HG       LYS  31   0.468   6.157 -10.164
  207   1HD   LYS  31          2HD       LYS  31   0.390   5.145 -12.247
  208   2HD   LYS  31          1HD       LYS  31  -1.267   5.664 -12.554
  209   1HE   LYS  31          2HE       LYS  31   1.033   7.621 -12.392
  210   2HE   LYS  31          1HE       LYS  31   0.549   6.856 -13.906
  211   1HZ   LYS  31          2HZ       LYS  31  -1.804   7.685 -13.058
  212   2HZ   LYS  31          1HZ       LYS  31  -0.835   8.864 -12.311
  213   3HZ   LYS  31          3HZ       LYS  31  -0.780   8.665 -13.994
   
  Start of MODEL          13
 Raw file had  213 H/Q atoms
  Start of MODEL   13
    1   1H    SER   1          1H        SER   1   6.923   5.110  -2.588
    2   2H    SER   1          3H        SER   1   7.639   6.065  -1.384
    3   3H    SER   1          2H        SER   1   8.422   5.855  -2.878
    4    HA   SER   1           HA       SER   1   8.797   3.537  -2.440
    5   1HB   SER   1          2HB       SER   1   9.510   5.082   0.065
    6   2HB   SER   1          1HB       SER   1  10.408   3.766  -0.688
    7    HG   SER   1           HG       SER   1  10.325   5.382  -2.586
    8    HA   PRO   2           HA       PRO   2   5.727   1.737   0.081
    9   1HB   PRO   2          2HB       PRO   2   6.485  -0.839  -0.480
   10   2HB   PRO   2          1HB       PRO   2   5.443   0.177  -1.477
   11   1HG   PRO   2          2HG       PRO   2   8.190  -0.652  -2.028
   12   2HG   PRO   2          1HG       PRO   2   7.028   0.134  -3.104
   13   1HD   PRO   2          1HD       PRO   2   9.255   1.318  -1.698
   14   2HD   PRO   2          2HD       PRO   2   8.154   2.041  -2.885
   15    H    CYS   3           H        CYS   3   5.442   0.925   2.034
   16    HA   CYS   3           HA       CYS   3   7.588   1.283   3.855
   17   1HB   CYS   3          2HB       CYS   3   5.950   0.338   5.537
   18   2HB   CYS   3          1HB       CYS   3   5.419   1.734   4.639
   19    H    GLN   4           H        GLN   4   7.467  -0.664   5.710
   20    HA   GLN   4           HA       GLN   4   9.182  -2.689   4.506
   21   1HB   GLN   4          2HB       GLN   4   9.802  -1.732   6.631
   22   2HB   GLN   4          1HB       GLN   4   8.246  -2.168   7.336
   23   1HG   GLN   4          2HG       GLN   4   8.781  -4.404   7.481
   24   2HG   GLN   4          1HG       GLN   4   9.926  -4.324   6.143
   25   1HE2  GLN   4          2HE2      GLN   4  11.526  -4.293   9.700
   26   2HE2  GLN   4          1HE2      GLN   4  10.121  -5.105   9.205
   27    H    LYS   5           H        LYS   5   6.126  -2.688   4.040
   28    HA   LYS   5           HA       LYS   5   5.833  -5.614   4.429
   29   1HB   LYS   5          2HB       LYS   5   4.346  -3.532   5.886
   30   2HB   LYS   5          1HB       LYS   5   3.343  -4.781   5.146
   31   1HG   LYS   5          2HG       LYS   5   5.602  -6.059   6.350
   32   2HG   LYS   5          1HG       LYS   5   4.899  -4.965   7.541
   33   1HD   LYS   5          2HD       LYS   5   2.771  -6.315   6.166
   34   2HD   LYS   5          1HD       LYS   5   3.931  -7.516   6.736
   35   1HE   LYS   5          2HE       LYS   5   3.771  -6.719   8.996
   36   2HE   LYS   5          1HE       LYS   5   2.849  -5.301   8.494
   37   1HZ   LYS   5          2HZ       LYS   5   1.493  -7.505   7.520
   38   2HZ   LYS   5          1HZ       LYS   5   1.918  -7.896   9.117
   39   3HZ   LYS   5          3HZ       LYS   5   1.024  -6.491   8.800
   40    H    CYS   6           H        CYS   6   5.850  -3.248   2.377
   41    HA   CYS   6           HA       CYS   6   3.353  -3.923   0.910
   42   1HB   CYS   6          2HB       CYS   6   4.908  -1.541   1.411
   43   2HB   CYS   6          1HB       CYS   6   4.768  -1.792  -0.320
   44    H    THR   7           H        THR   7   6.876  -4.020   0.725
   45    HA   THR   7           HA       THR   7   7.252  -4.325  -2.022
   46    HB   THR   7           HB       THR   7   8.660  -5.750   0.237
   47    HG1  THR   7           HG1      THR   7  10.166  -3.991  -1.005
   48   1HG2  THR   7          2HG2      THR   7   9.275  -5.634  -2.722
   49   2HG2  THR   7          1HG2      THR   7  10.487  -6.052  -1.510
   50   3HG2  THR   7          3HG2      THR   7   9.061  -7.069  -1.718
   51    H    SER   8           H        SER   8   7.664  -7.322  -0.287
   52    HA   SER   8           HA       SER   8   6.055  -8.622  -2.399
   53   1HB   SER   8          2HB       SER   8   7.242 -10.519  -1.917
   54   2HB   SER   8          1HB       SER   8   8.346  -9.411  -1.111
   55    HG   SER   8           HG       SER   8   6.938  -9.738   0.780
   56    H    GLY   9           H        GLY   9   4.838  -6.822  -0.400
   57   1HA   GLY   9          2HA       GLY   9   2.844  -8.780   0.619
   58   2HA   GLY   9          1HA       GLY   9   3.636  -7.760   1.814
   59    H    CYS  10           H        CYS  10   3.032  -6.314  -1.311
   60    HA   CYS  10           HA       CYS  10   1.504  -4.197  -0.208
   61   1HB   CYS  10          2HB       CYS  10   2.521  -4.256  -2.547
   62   2HB   CYS  10          1HB       CYS  10   1.125  -5.223  -3.031
   63    H    LYS  11           H        LYS  11  -0.270  -4.645   1.009
   64    HA   LYS  11           HA       LYS  11  -2.149  -6.737   0.034
   65   1HB   LYS  11          2HB       LYS  11  -1.205  -6.152   2.563
   66   2HB   LYS  11          1HB       LYS  11  -2.823  -5.450   2.573
   67   1HG   LYS  11          2HG       LYS  11  -3.809  -7.555   1.889
   68   2HG   LYS  11          1HG       LYS  11  -2.215  -8.275   1.661
   69   1HD   LYS  11          2HD       LYS  11  -2.649  -7.107   4.334
   70   2HD   LYS  11          1HD       LYS  11  -3.689  -8.482   3.963
   71   1HE   LYS  11          2HE       LYS  11  -0.795  -8.713   3.267
   72   2HE   LYS  11          1HE       LYS  11  -1.237  -8.821   4.971
   73   1HZ   LYS  11          2HZ       LYS  11  -2.973 -10.343   3.279
   74   2HZ   LYS  11          1HZ       LYS  11  -1.355 -10.848   3.161
   75   3HZ   LYS  11          3HZ       LYS  11  -2.125 -10.822   4.671
   76    H    CYS  12           H        CYS  12  -1.891  -3.400  -0.318
   77    HA   CYS  12           HA       CYS  12  -4.649  -2.719   0.125
   78   1HB   CYS  12          2HB       CYS  12  -2.742  -1.161  -1.597
   79   2HB   CYS  12          1HB       CYS  12  -3.997  -0.607  -0.527
   80    H    ALA  13           H        ALA  13  -6.242  -3.364  -1.226
   81    HA   ALA  13           HA       ALA  13  -5.620  -4.147  -4.004
   82   1HB   ALA  13          2HB       ALA  13  -7.394  -5.187  -2.288
   83   2HB   ALA  13          1HB       ALA  13  -8.431  -3.947  -2.994
   84   3HB   ALA  13          3HB       ALA  13  -7.698  -5.175  -4.025
   85    H    THR  14           H        THR  14  -6.864  -1.497  -2.188
   86    HA   THR  14           HA       THR  14  -6.910   0.206  -4.578
   87    HB   THR  14           HB       THR  14  -9.168   0.774  -4.559
   88    HG1  THR  14           HG1      THR  14 -10.206   1.051  -2.756
   89   1HG2  THR  14          3HG2      THR  14  -8.944  -1.614  -5.167
   90   2HG2  THR  14          2HG2      THR  14  -9.192  -2.058  -3.479
   91   3HG2  THR  14          1HG2      THR  14 -10.492  -1.287  -4.389
   92    H    LYS  15           H        LYS  15  -7.767   2.541  -3.581
   93    HA   LYS  15           HA       LYS  15  -5.770   3.245  -1.651
   94   1HB   LYS  15          2HB       LYS  15  -8.269   4.885  -1.975
   95   2HB   LYS  15          1HB       LYS  15  -6.599   5.422  -1.796
   96   1HG   LYS  15          2HG       LYS  15  -6.187   4.295  -4.081
   97   2HG   LYS  15          1HG       LYS  15  -7.943   4.278  -4.243
   98   1HD   LYS  15          2HD       LYS  15  -7.216   6.304  -5.279
   99   2HD   LYS  15          1HD       LYS  15  -7.882   6.775  -3.716
  100   1HE   LYS  15          2HE       LYS  15  -5.914   7.696  -3.149
  101   2HE   LYS  15          1HE       LYS  15  -5.125   6.130  -3.337
  102   1HZ   LYS  15          1HZ       LYS  15  -5.197   6.688  -5.825
  103   2HZ   LYS  15          3HZ       LYS  15  -5.450   8.287  -5.321
  104   3HZ   LYS  15          2HZ       LYS  15  -4.037   7.467  -4.858
  105    H    GLU  16           H        GLU  16  -9.153   2.281  -1.338
  106    HA   GLU  16           HA       GLU  16  -9.564   3.043   1.369
  107   1HB   GLU  16          2HB       GLU  16 -10.741   1.026  -0.478
  108   2HB   GLU  16          1HB       GLU  16 -11.008   0.767   1.247
  109   1HG   GLU  16          2HG       GLU  16 -11.450   3.501   0.894
  110   2HG   GLU  16          1HG       GLU  16 -12.193   2.758  -0.522
  111    H    GLU  17           H        GLU  17  -8.374  -0.067   0.043
  112    HA   GLU  17           HA       GLU  17  -7.745  -1.162   2.639
  113   1HB   GLU  17          2HB       GLU  17  -6.364  -1.920   0.059
  114   2HB   GLU  17          1HB       GLU  17  -6.705  -2.942   1.456
  115   1HG   GLU  17          2HG       GLU  17  -9.221  -2.193   0.846
  116   2HG   GLU  17          1HG       GLU  17  -8.502  -2.107  -0.762
  117    H    CYS  18           H        CYS  18  -6.167   1.021   0.462
  118    HA   CYS  18           HA       CYS  18  -3.467   0.763   1.375
  119   1HB   CYS  18          2HB       CYS  18  -4.357   2.040  -0.651
  120   2HB   CYS  18          1HB       CYS  18  -4.751   3.328   0.476
  121    H    SER  19           H        SER  19  -6.227   2.573   2.527
  122    HA   SER  19           HA       SER  19  -4.769   4.212   4.404
  123   1HB   SER  19          2HB       SER  19  -7.207   4.503   3.571
  124   2HB   SER  19          1HB       SER  19  -7.626   3.313   4.799
  125    HG   SER  19           HG       SER  19  -6.049   5.583   5.386
  126    H    LYS  20           H        LYS  20  -5.396   0.919   4.292
  127    HA   LYS  20           HA       LYS  20  -5.613   0.404   7.130
  128   1HB   LYS  20          2HB       LYS  20  -6.612  -0.961   5.262
  129   2HB   LYS  20          1HB       LYS  20  -4.974  -1.480   4.857
  130   1HG   LYS  20          2HG       LYS  20  -5.283  -1.778   7.658
  131   2HG   LYS  20          1HG       LYS  20  -6.705  -2.489   6.894
  132   1HD   LYS  20          2HD       LYS  20  -4.161  -3.125   5.548
  133   2HD   LYS  20          1HD       LYS  20  -4.302  -3.782   7.179
  134   1HE   LYS  20          2HE       LYS  20  -6.772  -4.362   6.219
  135   2HE   LYS  20          1HE       LYS  20  -5.830  -4.458   4.732
  136   1HZ   LYS  20          1HZ       LYS  20  -5.147  -5.860   7.257
  137   2HZ   LYS  20          3HZ       LYS  20  -5.934  -6.578   5.937
  138   3HZ   LYS  20          2HZ       LYS  20  -4.342  -6.009   5.768
  139    H    THR  21           H        THR  21  -3.115  -0.481   4.683
  140    HA   THR  21           HA       THR  21  -1.196  -0.854   6.891
  141    HB   THR  21           HB       THR  21  -1.288  -2.592   5.157
  142    HG1  THR  21           HG1      THR  21   0.790  -2.789   5.310
  143   1HG2  THR  21          3HG2      THR  21  -1.445  -0.308   3.449
  144   2HG2  THR  21          2HG2      THR  21  -0.007  -1.225   3.001
  145   3HG2  THR  21          1HG2      THR  21  -1.587  -2.009   3.007
  146    H    CYS  22           H        CYS  22  -2.021   1.485   4.641
  147    HA   CYS  22           HA       CYS  22   0.245   3.160   5.519
  148   1HB   CYS  22          2HB       CYS  22  -0.095   3.549   2.660
  149   2HB   CYS  22          1HB       CYS  22   1.381   3.264   3.573
  150    H    THR  23           H        THR  23  -0.103   5.317   3.912
  151    HA   THR  23           HA       THR  23  -2.989   6.011   4.204
  152    HB   THR  23           HB       THR  23  -0.656   7.850   4.726
  153    HG1  THR  23           HG1      THR  23  -2.172   6.178   6.390
  154   1HG2  THR  23          2HG2      THR  23  -3.618   8.122   4.705
  155   2HG2  THR  23          1HG2      THR  23  -2.757   8.955   6.001
  156   3HG2  THR  23          3HG2      THR  23  -2.376   9.312   4.317
  157    H    LYS  24           H        LYS  24  -0.360   5.779   2.201
  158    HA   LYS  24           HA       LYS  24  -1.712   7.358   0.094
  159   1HB   LYS  24          2HB       LYS  24   1.173   7.725  -0.046
  160   2HB   LYS  24          1HB       LYS  24  -0.103   8.940  -0.072
  161   1HG   LYS  24          2HG       LYS  24  -0.167   9.066   2.313
  162   2HG   LYS  24          1HG       LYS  24   0.802   7.603   2.487
  163   1HD   LYS  24          2HD       LYS  24   1.988   9.871   0.950
  164   2HD   LYS  24          1HD       LYS  24   1.897  10.028   2.705
  165   1HE   LYS  24          2HE       LYS  24   2.955   7.483   1.512
  166   2HE   LYS  24          1HE       LYS  24   4.006   8.897   1.608
  167   1HZ   LYS  24          1HZ       LYS  24   3.410   9.033   4.000
  168   2HZ   LYS  24          3HZ       LYS  24   2.607   7.547   3.849
  169   3HZ   LYS  24          2HZ       LYS  24   4.284   7.635   3.588
  170    HA   PRO  25           HA       PRO  25  -0.192   4.203  -2.638
  171   1HB   PRO  25          2HB       PRO  25   0.675   5.643  -4.800
  172   2HB   PRO  25          1HB       PRO  25  -1.039   5.434  -4.401
  173   1HG   PRO  25          2HG       PRO  25   0.680   7.848  -4.082
  174   2HG   PRO  25          1HG       PRO  25  -1.076   7.739  -4.296
  175   1HD   PRO  25          1HD       PRO  25   0.278   8.200  -1.853
  176   2HD   PRO  25          2HD       PRO  25  -1.438   7.779  -2.033
  177    H    CYS  26           H        CYS  26   1.517   3.383  -1.486
  178    HA   CYS  26           HA       CYS  26   4.148   4.423  -1.338
  179   1HB   CYS  26          2HB       CYS  26   2.949   1.652  -1.299
  180   2HB   CYS  26          1HB       CYS  26   4.688   1.850  -1.312
  181    H    SER  27           H        SER  27   5.759   2.473  -2.712
  182    HA   SER  27           HA       SER  27   5.382   3.469  -5.457
  183   1HB   SER  27          2HB       SER  27   7.660   3.189  -4.342
  184   2HB   SER  27          1HB       SER  27   7.437   1.451  -4.524
  185    HG   SER  27           HG       SER  27   7.689   1.632  -6.629
  186    H    CYS  28           H        CYS  28   3.416   1.479  -4.152
  187    HA   CYS  28           HA       CYS  28   3.427  -0.366  -6.485
  188   1HB   CYS  28          2HB       CYS  28   2.981  -2.272  -4.727
  189   2HB   CYS  28          1HB       CYS  28   4.634  -1.800  -5.128
  190    H    CYS  29           H        CYS  29   1.664   0.928  -3.674
  191    HA   CYS  29           HA       CYS  29  -0.715  -0.538  -4.051
  192   1HB   CYS  29          2HB       CYS  29  -0.757   2.318  -3.201
  193   2HB   CYS  29          1HB       CYS  29  -1.602   0.942  -2.561
  194    HA   PRO  30           HA       PRO  30  -2.659   1.671  -7.427
  195   1HB   PRO  30          2HB       PRO  30  -4.439   3.591  -6.579
  196   2HB   PRO  30          1HB       PRO  30  -4.776   1.850  -6.525
  197   1HG   PRO  30          2HG       PRO  30  -3.976   3.688  -4.290
  198   2HG   PRO  30          1HG       PRO  30  -5.033   2.269  -4.243
  199   1HD   PRO  30          1HD       PRO  30  -2.454   2.337  -3.389
  200   2HD   PRO  30          2HD       PRO  30  -3.290   0.849  -3.865
  201    H    LYS  31           HN       LYS  31  -2.603   3.666  -8.781
  202    HA   LYS  31           HA       LYS  31  -0.367   5.399  -8.004
  203   1HB   LYS  31          2HB       LYS  31  -0.549   6.303 -10.255
  204   2HB   LYS  31          1HB       LYS  31  -0.662   4.545 -10.341
  205   1HG   LYS  31          2HG       LYS  31  -3.230   4.928 -10.165
  206   2HG   LYS  31          1HG       LYS  31  -2.856   6.588 -10.630
  207   1HD   LYS  31          2HD       LYS  31  -2.167   5.990 -12.748
  208   2HD   LYS  31          1HD       LYS  31  -1.625   4.391 -12.235
  209   1HE   LYS  31          2HE       LYS  31  -4.440   4.545 -11.782
  210   2HE   LYS  31          1HE       LYS  31  -4.125   5.111 -13.422
  211   1HZ   LYS  31          2HZ       LYS  31  -2.499   2.954 -13.170
  212   2HZ   LYS  31          1HZ       LYS  31  -3.892   2.472 -12.327
  213   3HZ   LYS  31          3HZ       LYS  31  -4.011   2.965 -13.945
   
  Start of MODEL          14
 Raw file had  213 H/Q atoms
  Start of MODEL   14
    1   1H    SER   1          2H        SER   1  -6.210   7.016   1.530
    2   2H    SER   1          1H        SER   1  -6.795   7.821   0.153
    3   3H    SER   1          3H        SER   1  -7.629   7.945   1.625
    4    HA   SER   1           HA       SER   1  -8.201   5.605   1.564
    5   1HB   SER   1          2HB       SER   1  -9.886   5.821  -0.027
    6   2HB   SER   1          1HB       SER   1  -9.438   7.509   0.198
    7    HG   SER   1           HG       SER   1  -8.676   7.547  -1.763
    8    HA   PRO   2           HA       PRO   2  -5.318   3.152  -0.597
    9   1HB   PRO   2          2HB       PRO   2  -6.470   0.784   0.181
   10   2HB   PRO   2          1HB       PRO   2  -5.303   1.723   1.113
   11   1HG   PRO   2          2HG       PRO   2  -8.170   1.382   1.609
   12   2HG   PRO   2          1HG       PRO   2  -6.924   2.037   2.678
   13   1HD   PRO   2          1HD       PRO   2  -8.890   3.477   1.184
   14   2HD   PRO   2          2HD       PRO   2  -7.624   4.100   2.255
   15    H    CYS   3           H        CYS   3  -5.117   1.952  -2.416
   16    HA   CYS   3           HA       CYS   3  -7.086   2.463  -4.384
   17   1HB   CYS   3          2HB       CYS   3  -5.679   0.963  -5.836
   18   2HB   CYS   3          1HB       CYS   3  -4.844   2.305  -5.099
   19    H    GLN   4           H        GLN   4  -7.404   0.334  -5.937
   20    HA   GLN   4           HA       GLN   4  -9.583  -1.052  -4.593
   21   1HB   GLN   4          2HB       GLN   4  -9.873  -2.165  -6.793
   22   2HB   GLN   4          1HB       GLN   4  -9.793  -0.407  -6.917
   23   1HG   GLN   4          2HG       GLN   4  -7.148  -1.091  -7.119
   24   2HG   GLN   4          1HG       GLN   4  -7.926  -2.449  -7.932
   25   1HE2  GLN   4          2HE2      GLN   4  -9.658   0.260 -10.039
   26   2HE2  GLN   4          1HE2      GLN   4 -10.255  -0.666  -8.747
   27    H    LYS   5           H        LYS   5  -6.455  -1.667  -4.243
   28    HA   LYS   5           HA       LYS   5  -6.926  -4.607  -4.043
   29   1HB   LYS   5          2HB       LYS   5  -4.785  -3.132  -5.462
   30   2HB   LYS   5          1HB       LYS   5  -4.256  -4.509  -4.492
   31   1HG   LYS   5          2HG       LYS   5  -5.384  -6.040  -5.792
   32   2HG   LYS   5          1HG       LYS   5  -6.657  -4.895  -6.218
   33   1HD   LYS   5          2HD       LYS   5  -5.249  -3.789  -7.813
   34   2HD   LYS   5          1HD       LYS   5  -3.820  -4.656  -7.246
   35   1HE   LYS   5          2HE       LYS   5  -5.105  -6.803  -7.902
   36   2HE   LYS   5          1HE       LYS   5  -6.164  -5.728  -8.815
   37   1HZ   LYS   5          1HZ       LYS   5  -3.351  -5.242  -9.215
   38   2HZ   LYS   5          3HZ       LYS   5  -3.862  -6.772  -9.739
   39   3HZ   LYS   5          2HZ       LYS   5  -4.605  -5.373 -10.353
   40    H    CYS   6           H        CYS   6  -6.429  -1.883  -2.390
   41    HA   CYS   6           HA       CYS   6  -4.525  -3.020  -0.421
   42   1HB   CYS   6          2HB       CYS   6  -5.277  -0.379  -1.420
   43   2HB   CYS   6          1HB       CYS   6  -5.225  -0.438   0.329
   44    H    THR   7           H        THR   7  -7.880  -2.214  -0.935
   45    HA   THR   7           HA       THR   7  -8.778  -1.800   1.671
   46    HB   THR   7           HB       THR   7 -10.102  -3.316  -0.577
   47    HG1  THR   7           HG1      THR   7 -11.182  -1.377  -0.847
   48   1HG2  THR   7          3HG2      THR   7 -11.012  -2.709   2.203
   49   2HG2  THR   7          2HG2      THR   7 -12.190  -2.581   0.898
   50   3HG2  THR   7          1HG2      THR   7 -11.360  -4.110   1.190
   51    H    SER   8           H        SER   8  -9.779  -4.909   0.512
   52    HA   SER   8           HA       SER   8  -8.824  -6.032   3.075
   53   1HB   SER   8          2HB       SER   8  -9.942  -8.143   1.786
   54   2HB   SER   8          1HB       SER   8 -10.883  -7.002   2.741
   55    HG   SER   8           HG       SER   8 -11.648  -7.382   0.550
   56    H    GLY   9           H        GLY   9  -6.982  -5.125   0.913
   57   1HA   GLY   9          2HA       GLY   9  -5.502  -7.697   0.706
   58   2HA   GLY   9          1HA       GLY   9  -5.912  -6.906  -0.809
   59    H    CYS  10           H        CYS  10  -4.840  -5.272   2.217
   60    HA   CYS  10           HA       CYS  10  -2.925  -3.703   0.732
   61   1HB   CYS  10          2HB       CYS  10  -3.844  -3.054   2.999
   62   2HB   CYS  10          1HB       CYS  10  -2.812  -4.300   3.704
   63    H    LYS  11           H        LYS  11  -1.279  -4.712  -0.309
   64    HA   LYS  11           HA       LYS  11  -0.078  -7.121   0.931
   65   1HB   LYS  11          2HB       LYS  11  -0.748  -6.958  -1.536
   66   2HB   LYS  11          1HB       LYS  11   0.671  -5.929  -1.737
   67   1HG   LYS  11          2HG       LYS  11   1.746  -7.906  -2.097
   68   2HG   LYS  11          1HG       LYS  11   1.749  -8.003  -0.336
   69   1HD   LYS  11          2HD       LYS  11   0.716 -10.004  -0.705
   70   2HD   LYS  11          1HD       LYS  11  -0.723  -8.999  -0.876
   71   1HE   LYS  11          2HE       LYS  11   0.715  -9.029  -3.369
   72   2HE   LYS  11          1HE       LYS  11   0.440 -10.687  -2.834
   73   1HZ   LYS  11          3HZ       LYS  11  -1.924  -9.532  -2.309
   74   2HZ   LYS  11          2HZ       LYS  11  -1.455  -8.692  -3.710
   75   3HZ   LYS  11          1HZ       LYS  11  -1.571 -10.387  -3.731
   76    H    CYS  12           H        CYS  12   0.625  -3.763   0.853
   77    HA   CYS  12           HA       CYS  12   3.492  -4.038   0.805
   78   1HB   CYS  12          2HB       CYS  12   2.047  -1.664   1.908
   79   2HB   CYS  12          1HB       CYS  12   3.492  -1.753   0.949
   80    H    ALA  13           H        ALA  13   4.593  -4.830   2.524
   81    HA   ALA  13           HA       ALA  13   3.399  -4.685   5.234
   82   1HB   ALA  13          1HB       ALA  13   5.986  -5.953   4.262
   83   2HB   ALA  13          3HB       ALA  13   5.340  -6.082   5.898
   84   3HB   ALA  13          2HB       ALA  13   4.468  -6.806   4.547
   85    H    THR  14           H        THR  14   5.720  -3.169   3.206
   86    HA   THR  14           HA       THR  14   6.263  -1.122   5.247
   87    HB   THR  14           HB       THR  14   8.729  -1.993   3.889
   88    HG1  THR  14           HG1      THR  14   8.978  -3.786   5.288
   89   1HG2  THR  14          2HG2      THR  14   7.837  -1.099   6.611
   90   2HG2  THR  14          1HG2      THR  14   9.407  -1.884   6.430
   91   3HG2  THR  14          3HG2      THR  14   9.057  -0.396   5.550
   92    H    LYS  15           H        LYS  15   8.067   0.415   3.924
   93    HA   LYS  15           HA       LYS  15   6.547   1.301   1.600
   94   1HB   LYS  15          2HB       LYS  15   9.286   2.179   2.588
   95   2HB   LYS  15          1HB       LYS  15   8.304   3.025   1.391
   96   1HG   LYS  15          2HG       LYS  15   6.713   3.688   2.971
   97   2HG   LYS  15          1HG       LYS  15   7.150   2.401   4.096
   98   1HD   LYS  15          2HD       LYS  15   8.089   4.336   5.071
   99   2HD   LYS  15          1HD       LYS  15   9.450   3.585   4.237
  100   1HE   LYS  15          2HE       LYS  15   7.731   5.652   2.869
  101   2HE   LYS  15          1HE       LYS  15   9.093   6.122   3.886
  102   1HZ   LYS  15          3HZ       LYS  15  10.184   4.208   2.366
  103   2HZ   LYS  15          2HZ       LYS  15   9.077   4.889   1.272
  104   3HZ   LYS  15          1HZ       LYS  15  10.258   5.864   2.008
  105    H    GLU  16           H        GLU  16   9.264  -0.794   2.151
  106    HA   GLU  16           HA       GLU  16  10.479  -0.666  -0.434
  107   1HB   GLU  16          2HB       GLU  16  10.773  -2.219   1.932
  108   2HB   GLU  16          1HB       GLU  16  10.567  -3.348   0.593
  109   1HG   GLU  16          2HG       GLU  16  12.694  -2.972  -0.029
  110   2HG   GLU  16          1HG       GLU  16  12.295  -1.279  -0.315
  111    H    GLU  17           H        GLU  17   7.633  -2.334   0.783
  112    HA   GLU  17           HA       GLU  17   7.274  -3.712  -1.827
  113   1HB   GLU  17          2HB       GLU  17   5.352  -3.907   0.479
  114   2HB   GLU  17          1HB       GLU  17   5.732  -5.110  -0.754
  115   1HG   GLU  17          2HG       GLU  17   7.765  -4.174   1.280
  116   2HG   GLU  17          1HG       GLU  17   6.705  -5.555   1.564
  117    H    CYS  18           H        CYS  18   6.115  -1.036   0.052
  118    HA   CYS  18           HA       CYS  18   3.579  -0.628  -1.245
  119   1HB   CYS  18          2HB       CYS  18   4.445   0.507   0.851
  120   2HB   CYS  18          1HB       CYS  18   5.404   1.532  -0.197
  121    H    SER  19           H        SER  19   6.860   0.101  -2.030
  122    HA   SER  19           HA       SER  19   6.331   2.068  -4.090
  123   1HB   SER  19          2HB       SER  19   8.559   1.582  -2.861
  124   2HB   SER  19          1HB       SER  19   8.753   0.268  -4.018
  125    HG   SER  19           HG       SER  19   9.072   1.679  -5.571
  126    H    LYS  20           H        LYS  20   5.628  -1.171  -3.934
  127    HA   LYS  20           HA       LYS  20   5.862  -1.515  -6.870
  128   1HB   LYS  20          2HB       LYS  20   7.200  -3.126  -5.742
  129   2HB   LYS  20          1HB       LYS  20   5.950  -3.420  -4.533
  130   1HG   LYS  20          2HG       LYS  20   5.849  -5.268  -6.030
  131   2HG   LYS  20          1HG       LYS  20   4.479  -4.241  -6.447
  132   1HD   LYS  20          2HD       LYS  20   5.779  -3.232  -8.281
  133   2HD   LYS  20          1HD       LYS  20   7.164  -4.241  -7.860
  134   1HE   LYS  20          2HE       LYS  20   4.498  -5.502  -8.461
  135   2HE   LYS  20          1HE       LYS  20   5.578  -5.033  -9.774
  136   1HZ   LYS  20          1HZ       LYS  20   7.342  -6.327  -8.616
  137   2HZ   LYS  20          3HZ       LYS  20   6.156  -6.911  -7.553
  138   3HZ   LYS  20          2HZ       LYS  20   6.060  -7.270  -9.212
  139    H    THR  21           H        THR  21   3.690  -1.374  -4.157
  140    HA   THR  21           HA       THR  21   1.489  -2.512  -5.786
  141    HB   THR  21           HB       THR  21   0.836  -1.654  -3.067
  142    HG1  THR  21           HG1      THR  21   2.885  -2.253  -2.565
  143   1HG2  THR  21          1HG2      THR  21   0.556  -4.130  -4.755
  144   2HG2  THR  21          3HG2      THR  21   0.172  -4.161  -3.034
  145   3HG2  THR  21          2HG2      THR  21  -0.708  -3.080  -4.114
  146    H    CYS  22           H        CYS  22   2.614   0.334  -4.331
  147    HA   CYS  22           HA       CYS  22   0.664   1.965  -5.820
  148   1HB   CYS  22          2HB       CYS  22   0.959   2.900  -3.035
  149   2HB   CYS  22          1HB       CYS  22  -0.477   2.851  -4.053
  150    H    THR  23           H        THR  23   1.241   4.420  -4.826
  151    HA   THR  23           HA       THR  23   4.196   4.611  -5.173
  152    HB   THR  23           HB       THR  23   2.278   6.858  -5.692
  153    HG1  THR  23           HG1      THR  23   1.601   5.057  -6.920
  154   1HG2  THR  23          3HG2      THR  23   4.993   6.762  -5.671
  155   2HG2  THR  23          2HG2      THR  23   4.677   6.368  -7.360
  156   3HG2  THR  23          1HG2      THR  23   4.070   7.877  -6.678
  157    H    LYS  24           H        LYS  24   1.671   5.017  -3.058
  158    HA   LYS  24           HA       LYS  24   3.393   6.422  -1.116
  159   1HB   LYS  24          2HB       LYS  24   1.114   7.644  -2.513
  160   2HB   LYS  24          1HB       LYS  24   1.005   7.764  -0.759
  161   1HG   LYS  24          2HG       LYS  24   2.733   9.230  -0.639
  162   2HG   LYS  24          1HG       LYS  24   3.688   8.337  -1.825
  163   1HD   LYS  24          2HD       LYS  24   2.164   9.255  -3.616
  164   2HD   LYS  24          1HD       LYS  24   1.439  10.288  -2.385
  165   1HE   LYS  24          2HE       LYS  24   3.694  11.237  -1.906
  166   2HE   LYS  24          1HE       LYS  24   4.353  10.267  -3.224
  167   1HZ   LYS  24          2HZ       LYS  24   2.167  12.256  -3.517
  168   2HZ   LYS  24          1HZ       LYS  24   3.797  12.549  -3.897
  169   3HZ   LYS  24          3HZ       LYS  24   2.920  11.387  -4.768
  170    HA   PRO  25           HA       PRO  25   1.117   4.039   1.870
  171   1HB   PRO  25          2HB       PRO  25   0.814   5.840   3.914
  172   2HB   PRO  25          1HB       PRO  25   2.360   5.063   3.528
  173   1HG   PRO  25          2HG       PRO  25   1.476   7.864   2.984
  174   2HG   PRO  25          1HG       PRO  25   3.111   7.235   3.253
  175   1HD   PRO  25          1HD       PRO  25   2.019   7.895   0.749
  176   2HD   PRO  25          2HD       PRO  25   3.457   6.886   1.010
  177    H    CYS  26           H        CYS  26  -0.762   3.687   0.821
  178    HA   CYS  26           HA       CYS  26  -2.962   5.408   0.475
  179   1HB   CYS  26          2HB       CYS  26  -2.620   2.435   0.869
  180   2HB   CYS  26          1HB       CYS  26  -4.230   3.126   0.780
  181    H    SER  27           H        SER  27  -5.073   4.206   2.027
  182    HA   SER  27           HA       SER  27  -4.477   5.467   4.612
  183   1HB   SER  27          2HB       SER  27  -6.983   3.918   3.967
  184   2HB   SER  27          1HB       SER  27  -6.778   5.248   5.102
  185    HG   SER  27           HG       SER  27  -7.642   6.189   3.343
  186    H    CYS  28           H        CYS  28  -3.133   2.813   3.688
  187    HA   CYS  28           HA       CYS  28  -3.665   1.451   6.287
  188   1HB   CYS  28          2HB       CYS  28  -3.669  -0.759   4.846
  189   2HB   CYS  28          1HB       CYS  28  -5.159   0.157   5.091
  190    H    CYS  29           H        CYS  29  -1.562   1.818   3.445
  191    HA   CYS  29           HA       CYS  29   0.347  -0.121   4.178
  192   1HB   CYS  29          2HB       CYS  29   1.112   2.469   2.901
  193   2HB   CYS  29          1HB       CYS  29   1.632   0.848   2.552
  194    HA   PRO  30           HA       PRO  30   2.761   1.997   7.301
  195   1HB   PRO  30          2HB       PRO  30   4.919   3.386   6.306
  196   2HB   PRO  30          1HB       PRO  30   4.871   1.620   6.461
  197   1HG   PRO  30          2HG       PRO  30   4.497   3.308   4.006
  198   2HG   PRO  30          1HG       PRO  30   5.239   1.707   4.157
  199   1HD   PRO  30          1HD       PRO  30   2.743   2.184   3.208
  200   2HD   PRO  30          2HD       PRO  30   3.238   0.634   3.909
  201    H    LYS  31           HN       LYS  31   2.670   3.901   8.546
  202    HA   LYS  31           HA       LYS  31   1.862   6.388   7.094
  203   1HB   LYS  31          2HB       LYS  31  -0.051   5.294   8.281
  204   2HB   LYS  31          1HB       LYS  31   0.840   5.460   9.794
  205   1HG   LYS  31          2HG       LYS  31   0.960   7.938   9.370
  206   2HG   LYS  31          1HG       LYS  31  -0.113   7.699   7.991
  207   1HD   LYS  31          2HD       LYS  31  -1.928   7.106   9.331
  208   2HD   LYS  31          1HD       LYS  31  -0.899   6.610  10.676
  209   1HE   LYS  31          2HE       LYS  31  -1.068   9.482   9.747
  210   2HE   LYS  31          1HE       LYS  31  -2.146   8.823  10.978
  211   1HZ   LYS  31          3HZ       LYS  31   0.818   8.741  11.122
  212   2HZ   LYS  31          2HZ       LYS  31  -0.150   9.897  11.904
  213   3HZ   LYS  31          1HZ       LYS  31  -0.269   8.257  12.331
   
  Start of MODEL          15
 Raw file had  213 H/Q atoms
  Start of MODEL   15
    1   1H    SER   1          2H        SER   1   6.894   5.835   1.096
    2   2H    SER   1          1H        SER   1   8.138   6.612   0.240
    3   3H    SER   1          3H        SER   1   6.887   5.836  -0.602
    4    HA   SER   1           HA       SER   1   8.548   4.272  -0.777
    5   1HB   SER   1          2HB       SER   1   9.417   5.548   1.751
    6   2HB   SER   1          1HB       SER   1   9.728   3.818   1.649
    7    HG   SER   1           HG       SER   1  11.151   4.168   0.130
    8    HA   PRO   2           HA       PRO   2   5.744   1.360   0.838
    9   1HB   PRO   2          2HB       PRO   2   6.812  -0.761  -0.529
   10   2HB   PRO   2          1HB       PRO   2   5.665   0.420  -1.161
   11   1HG   PRO   2          2HG       PRO   2   8.506   0.146  -1.819
   12   2HG   PRO   2          1HG       PRO   2   7.256   1.087  -2.643
   13   1HD   PRO   2          1HD       PRO   2   9.295   2.030  -0.852
   14   2HD   PRO   2          2HD       PRO   2   8.066   2.949  -1.740
   15    H    CYS   3           H        CYS   3   5.538   0.052   2.453
   16    HA   CYS   3           HA       CYS   3   7.723  -0.127   4.286
   17   1HB   CYS   3          2HB       CYS   3   6.056  -1.421   5.669
   18   2HB   CYS   3          1HB       CYS   3   5.568   0.182   5.183
   19    H    GLN   4           H        GLN   4   7.541  -2.491   5.534
   20    HA   GLN   4           HA       GLN   4   9.125  -4.196   3.746
   21   1HB   GLN   4          2HB       GLN   4   8.316  -4.985   6.527
   22   2HB   GLN   4          1HB       GLN   4   9.823  -5.314   5.671
   23   1HG   GLN   4          2HG       GLN   4  10.055  -2.693   5.664
   24   2HG   GLN   4          1HG       GLN   4   8.926  -2.785   7.016
   25   1HE2  GLN   4          2HE2      GLN   4  11.651  -3.401   9.160
   26   2HE2  GLN   4          1HE2      GLN   4  10.262  -2.482   8.834
   27    H    LYS   5           H        LYS   5   6.057  -3.944   3.521
   28    HA   LYS   5           HA       LYS   5   5.603  -6.872   3.189
   29   1HB   LYS   5          2HB       LYS   5   4.142  -4.994   4.953
   30   2HB   LYS   5          1HB       LYS   5   3.138  -6.047   3.957
   31   1HG   LYS   5          2HG       LYS   5   5.432  -7.102   5.625
   32   2HG   LYS   5          1HG       LYS   5   3.788  -6.976   6.253
   33   1HD   LYS   5          2HD       LYS   5   3.122  -8.814   5.126
   34   2HD   LYS   5          1HD       LYS   5   3.848  -8.238   3.624
   35   1HE   LYS   5          2HE       LYS   5   4.893 -10.354   4.396
   36   2HE   LYS   5          1HE       LYS   5   6.052  -9.025   4.363
   37   1HZ   LYS   5          3HZ       LYS   5   4.604  -9.331   6.849
   38   2HZ   LYS   5          2HZ       LYS   5   5.654 -10.613   6.474
   39   3HZ   LYS   5          1HZ       LYS   5   6.251  -9.027   6.581
   40    H    CYS   6           H        CYS   6   5.907  -4.099   1.737
   41    HA   CYS   6           HA       CYS   6   3.521  -4.284  -0.032
   42   1HB   CYS   6          2HB       CYS   6   5.098  -2.174   1.182
   43   2HB   CYS   6          1HB       CYS   6   5.028  -1.958  -0.558
   44    H    THR   7           H        THR   7   7.073  -4.248   0.041
   45    HA   THR   7           HA       THR   7   7.632  -3.930  -2.668
   46    HB   THR   7           HB       THR   7   8.994  -5.787  -0.708
   47    HG1  THR   7           HG1      THR   7   9.152  -3.080  -1.351
   48   1HG2  THR   7          3HG2      THR   7   9.355  -6.098  -3.291
   49   2HG2  THR   7          2HG2      THR   7  10.310  -4.624  -3.143
   50   3HG2  THR   7          1HG2      THR   7  10.751  -6.058  -2.216
   51    H    SER   8           H        SER   8   8.049  -7.220  -1.538
   52    HA   SER   8           HA       SER   8   6.736  -8.101  -4.036
   53   1HB   SER   8          2HB       SER   8   7.821 -10.130  -3.737
   54   2HB   SER   8          1HB       SER   8   8.931  -9.079  -2.863
   55    HG   SER   8           HG       SER   8   7.587  -9.590  -0.974
   56    H    GLY   9           H        GLY   9   5.238  -6.791  -1.829
   57   1HA   GLY   9          2HA       GLY   9   3.230  -8.957  -1.509
   58   2HA   GLY   9          1HA       GLY   9   3.871  -8.260  -0.027
   59    H    CYS  10           H        CYS  10   3.581  -5.993  -2.648
   60    HA   CYS  10           HA       CYS  10   1.821  -4.316  -1.203
   61   1HB   CYS  10          2HB       CYS  10   3.098  -3.646  -3.293
   62   2HB   CYS  10          1HB       CYS  10   1.849  -4.477  -4.226
   63    H    LYS  11           H        LYS  11  -0.097  -5.011  -0.442
   64    HA   LYS  11           HA       LYS  11  -1.772  -6.700  -2.260
   65   1HB   LYS  11          2HB       LYS  11  -1.104  -6.927   0.495
   66   2HB   LYS  11          1HB       LYS  11  -2.838  -6.619   0.389
   67   1HG   LYS  11          2HG       LYS  11  -2.783  -8.418  -1.510
   68   2HG   LYS  11          1HG       LYS  11  -1.251  -8.894  -0.776
   69   1HD   LYS  11          2HD       LYS  11  -2.529  -8.936   1.455
   70   2HD   LYS  11          1HD       LYS  11  -3.996  -8.881   0.478
   71   1HE   LYS  11          2HE       LYS  11  -1.854 -10.912  -0.110
   72   2HE   LYS  11          1HE       LYS  11  -3.043 -11.211   1.157
   73   1HZ   LYS  11          1HZ       LYS  11  -4.517 -10.305  -0.950
   74   2HZ   LYS  11          3HZ       LYS  11  -3.356 -11.299  -1.683
   75   3HZ   LYS  11          2HZ       LYS  11  -4.361 -11.925  -0.464
   76    H    CYS  12           H        CYS  12  -1.604  -3.478  -1.362
   77    HA   CYS  12           HA       CYS  12  -4.390  -3.013  -0.842
   78   1HB   CYS  12          2HB       CYS  12  -2.464  -0.943  -1.833
   79   2HB   CYS  12          1HB       CYS  12  -3.762  -0.802  -0.688
   80    H    ALA  13           H        ALA  13  -5.953  -2.992  -2.378
   81    HA   ALA  13           HA       ALA  13  -5.199  -2.773  -5.234
   82   1HB   ALA  13          2HB       ALA  13  -7.276  -4.090  -3.796
   83   2HB   ALA  13          1HB       ALA  13  -8.045  -2.862  -4.802
   84   3HB   ALA  13          3HB       ALA  13  -7.012  -4.086  -5.540
   85    H    THR  14           H        THR  14  -6.474  -0.936  -2.626
   86    HA   THR  14           HA       THR  14  -6.464   1.514  -4.217
   87    HB   THR  14           HB       THR  14  -9.005   1.416  -2.815
   88    HG1  THR  14           HG1      THR  14  -9.935  -0.086  -4.348
   89   1HG2  THR  14          2HG2      THR  14  -7.849   2.594  -5.080
   90   2HG2  THR  14          1HG2      THR  14  -9.123   1.552  -5.714
   91   3HG2  THR  14          3HG2      THR  14  -9.511   2.793  -4.523
   92    H    LYS  15           H        LYS  15  -7.568   3.267  -2.460
   93    HA   LYS  15           HA       LYS  15  -5.695   3.247  -0.273
   94   1HB   LYS  15          2HB       LYS  15  -8.219   4.872  -0.730
   95   2HB   LYS  15          1HB       LYS  15  -7.095   5.157   0.600
   96   1HG   LYS  15          2HG       LYS  15  -5.693   4.954  -1.940
   97   2HG   LYS  15          1HG       LYS  15  -6.915   6.227  -1.980
   98   1HD   LYS  15          2HD       LYS  15  -5.809   6.636   0.488
   99   2HD   LYS  15          1HD       LYS  15  -4.408   6.071  -0.423
  100   1HE   LYS  15          2HE       LYS  15  -4.313   7.964  -1.668
  101   2HE   LYS  15          1HE       LYS  15  -6.061   8.001  -1.898
  102   1HZ   LYS  15          3HZ       LYS  15  -5.207   8.555   0.800
  103   2HZ   LYS  15          2HZ       LYS  15  -4.680   9.702  -0.338
  104   3HZ   LYS  15          1HZ       LYS  15  -6.337   9.367  -0.170
  105    H    GLU  16           H        GLU  16  -8.863   1.901  -0.703
  106    HA   GLU  16           HA       GLU  16  -9.661   1.713   2.039
  107   1HB   GLU  16          2HB       GLU  16 -10.748   0.967  -0.398
  108   2HB   GLU  16          1HB       GLU  16 -10.413  -0.583   0.374
  109   1HG   GLU  16          2HG       GLU  16 -12.112  -0.311   1.828
  110   2HG   GLU  16          1HG       GLU  16 -11.547   1.300   2.271
  111    H    GLU  17           H        GLU  17  -8.146  -0.774  -0.056
  112    HA   GLU  17           HA       GLU  17  -7.524  -2.516   2.167
  113   1HB   GLU  17          2HB       GLU  17  -6.119  -2.452  -0.512
  114   2HB   GLU  17          1HB       GLU  17  -6.330  -3.836   0.562
  115   1HG   GLU  17          2HG       GLU  17  -8.892  -2.657  -0.081
  116   2HG   GLU  17          1HG       GLU  17  -8.016  -3.065  -1.557
  117    H    CYS  18           H        CYS  18  -6.028   0.238   0.725
  118    HA   CYS  18           HA       CYS  18  -3.319  -0.147   1.595
  119   1HB   CYS  18          2HB       CYS  18  -4.275   1.581  -0.036
  120   2HB   CYS  18          1HB       CYS  18  -4.711   2.507   1.388
  121    H    SER  19           H        SER  19  -6.196   1.028   3.125
  122    HA   SER  19           HA       SER  19  -4.873   2.219   5.420
  123   1HB   SER  19          2HB       SER  19  -7.687   1.472   4.716
  124   2HB   SER  19          1HB       SER  19  -7.298   1.771   6.408
  125    HG   SER  19           HG       SER  19  -6.288   3.768   5.568
  126    H    LYS  20           H        LYS  20  -5.138  -0.913   4.390
  127    HA   LYS  20           HA       LYS  20  -5.469  -2.168   7.004
  128   1HB   LYS  20          2HB       LYS  20  -6.247  -2.912   4.575
  129   2HB   LYS  20          1HB       LYS  20  -4.643  -3.645   4.549
  130   1HG   LYS  20          2HG       LYS  20  -5.687  -4.258   7.081
  131   2HG   LYS  20          1HG       LYS  20  -7.024  -4.508   5.959
  132   1HD   LYS  20          2HD       LYS  20  -6.013  -6.569   5.757
  133   2HD   LYS  20          1HD       LYS  20  -5.089  -5.695   4.534
  134   1HE   LYS  20          2HE       LYS  20  -3.877  -5.208   7.078
  135   2HE   LYS  20          1HE       LYS  20  -4.116  -6.947   6.908
  136   1HZ   LYS  20          3HZ       LYS  20  -2.814  -5.186   4.901
  137   2HZ   LYS  20          2HZ       LYS  20  -2.002  -6.230   5.967
  138   3HZ   LYS  20          1HZ       LYS  20  -3.023  -6.863   4.764
  139    H    THR  21           H        THR  21  -2.897  -2.037   4.482
  140    HA   THR  21           HA       THR  21  -0.999  -3.006   6.550
  141    HB   THR  21           HB       THR  21  -0.831  -4.345   4.593
  142    HG1  THR  21           HG1      THR  21   1.169  -2.472   4.030
  143   1HG2  THR  21          2HG2      THR  21  -1.369  -1.764   3.273
  144   2HG2  THR  21          1HG2      THR  21  -0.201  -2.784   2.433
  145   3HG2  THR  21          3HG2      THR  21  -1.819  -3.396   2.779
  146    H    CYS  22           H        CYS  22  -1.934  -0.206   4.984
  147    HA   CYS  22           HA       CYS  22   0.304   1.259   6.237
  148   1HB   CYS  22          2HB       CYS  22  -0.137   2.346   3.567
  149   2HB   CYS  22          1HB       CYS  22   1.377   1.945   4.368
  150    H    THR  23           H        THR  23  -0.138   3.757   5.326
  151    HA   THR  23           HA       THR  23  -3.036   4.231   5.838
  152    HB   THR  23           HB       THR  23  -0.864   6.142   6.649
  153    HG1  THR  23           HG1      THR  23  -0.333   4.835   8.180
  154   1HG2  THR  23          3HG2      THR  23  -3.303   6.822   6.550
  155   2HG2  THR  23          2HG2      THR  23  -3.606   5.649   7.832
  156   3HG2  THR  23          1HG2      THR  23  -2.541   7.023   8.128
  157    H    LYS  24           H        LYS  24  -0.448   4.647   3.794
  158    HA   LYS  24           HA       LYS  24  -1.972   6.533   2.096
  159   1HB   LYS  24          2HB       LYS  24   0.549   7.100   3.516
  160   2HB   LYS  24          1HB       LYS  24   0.608   7.455   1.791
  161   1HG   LYS  24          2HG       LYS  24  -1.855   8.467   2.514
  162   2HG   LYS  24          1HG       LYS  24  -0.870   8.816   3.935
  163   1HD   LYS  24          2HD       LYS  24   0.884   9.734   2.305
  164   2HD   LYS  24          1HD       LYS  24  -0.386   9.682   1.082
  165   1HE   LYS  24          2HE       LYS  24  -1.240  10.918   3.609
  166   2HE   LYS  24          1HE       LYS  24   0.062  11.791   2.800
  167   1HZ   LYS  24          3HZ       LYS  24  -2.492  10.951   1.539
  168   2HZ   LYS  24          2HZ       LYS  24  -2.116  12.528   2.046
  169   3HZ   LYS  24          1HZ       LYS  24  -1.245  11.810   0.776
  170    HA   PRO  25           HA       PRO  25  -0.266   4.118  -1.207
  171   1HB   PRO  25          2HB       PRO  25   0.367   6.028  -3.069
  172   2HB   PRO  25          1HB       PRO  25  -1.295   5.525  -2.715
  173   1HG   PRO  25          2HG       PRO  25   0.118   8.034  -1.925
  174   2HG   PRO  25          1HG       PRO  25  -1.611   7.755  -2.191
  175   1HD   PRO  25          1HD       PRO  25  -0.360   7.927   0.323
  176   2HD   PRO  25          2HD       PRO  25  -1.975   7.254   0.022
  177    H    CYS  26           H        CYS  26   1.532   3.280  -0.291
  178    HA   CYS  26           HA       CYS  26   4.038   4.470   0.160
  179   1HB   CYS  26          2HB       CYS  26   3.111   1.696  -0.597
  180   2HB   CYS  26          1HB       CYS  26   4.830   2.045  -0.492
  181    H    SER  27           H        SER  27   5.839   3.109  -1.640
  182    HA   SER  27           HA       SER  27   5.418   4.806  -4.002
  183   1HB   SER  27          2HB       SER  27   7.689   4.371  -2.942
  184   2HB   SER  27          1HB       SER  27   7.597   2.744  -3.609
  185    HG   SER  27           HG       SER  27   7.394   3.691  -5.674
  186    H    CYS  28           H        CYS  28   3.581   2.397  -3.388
  187    HA   CYS  28           HA       CYS  28   3.759   1.314  -6.153
  188   1HB   CYS  28          2HB       CYS  28   3.381  -1.034  -5.015
  189   2HB   CYS  28          1HB       CYS  28   5.011  -0.390  -5.220
  190    H    CYS  29           H        CYS  29   1.851   1.635  -3.159
  191    HA   CYS  29           HA       CYS  29  -0.398   0.198  -4.037
  192   1HB   CYS  29          2HB       CYS  29  -0.705   2.656  -2.395
  193   2HB   CYS  29          1HB       CYS  29  -1.413   1.082  -2.208
  194    HA   PRO  30           HA       PRO  30  -2.491   3.100  -6.699
  195   1HB   PRO  30          2HB       PRO  30  -4.507   4.450  -5.412
  196   2HB   PRO  30          1HB       PRO  30  -4.615   2.743  -5.882
  197   1HG   PRO  30          2HG       PRO  30  -4.087   3.923  -3.173
  198   2HG   PRO  30          1HG       PRO  30  -4.939   2.429  -3.593
  199   1HD   PRO  30          1HD       PRO  30  -2.392   2.593  -2.640
  200   2HD   PRO  30          2HD       PRO  30  -3.024   1.201  -3.537
  201    H    LYS  31           HN       LYS  31  -3.476   5.621  -6.764
  202    HA   LYS  31           HA       LYS  31  -1.205   7.306  -6.658
  203   1HB   LYS  31          2HB       LYS  31  -4.031   8.338  -6.380
  204   2HB   LYS  31          1HB       LYS  31  -2.670   9.086  -7.214
  205   1HG   LYS  31          2HG       LYS  31  -2.695   7.059  -8.776
  206   2HG   LYS  31          1HG       LYS  31  -4.258   6.659  -8.066
  207   1HD   LYS  31          2HD       LYS  31  -3.701   9.402  -9.191
  208   2HD   LYS  31          1HD       LYS  31  -4.282   8.084 -10.211
  209   1HE   LYS  31          2HE       LYS  31  -6.244   7.799  -8.766
  210   2HE   LYS  31          1HE       LYS  31  -5.657   9.071  -7.694
  211   1HZ   LYS  31          2HZ       LYS  31  -5.834   9.796 -10.491
  212   2HZ   LYS  31          1HZ       LYS  31  -7.325   9.489  -9.736
  213   3HZ   LYS  31          3HZ       LYS  31  -6.285  10.672  -9.108
   
  Start of MODEL          16
 Raw file had  213 H/Q atoms
  Start of MODEL   16
    1   1H    SER   1          1H        SER   1   6.213   7.534   0.353
    2   2H    SER   1          3H        SER   1   7.091   7.996  -1.022
    3   3H    SER   1          2H        SER   1   5.807   6.894  -1.166
    4    HA   SER   1           HA       SER   1   7.873   5.694  -1.292
    5   1HB   SER   1          2HB       SER   1   8.896   7.615   0.289
    6   2HB   SER   1          1HB       SER   1   8.542   6.411   1.526
    7    HG   SER   1           HG       SER   1  10.321   5.513   0.869
    8    HA   PRO   2           HA       PRO   2   5.481   2.737   0.789
    9   1HB   PRO   2          2HB       PRO   2   6.862   0.575  -0.180
   10   2HB   PRO   2          1HB       PRO   2   5.604   1.472  -1.034
   11   1HG   PRO   2          2HG       PRO   2   8.475   1.456  -1.588
   12   2HG   PRO   2          1HG       PRO   2   7.158   2.128  -2.559
   13   1HD   PRO   2          1HD       PRO   2   9.014   3.517  -0.825
   14   2HD   PRO   2          2HD       PRO   2   7.800   4.168  -1.942
   15    H    CYS   3           H        CYS   3   5.401   1.548   2.546
   16    HA   CYS   3           HA       CYS   3   7.445   2.036   4.475
   17   1HB   CYS   3          2HB       CYS   3   5.961   0.578   5.930
   18   2HB   CYS   3          1HB       CYS   3   5.231   2.004   5.242
   19    H    GLN   4           H        GLN   4   7.579  -0.239   5.998
   20    HA   GLN   4           HA       GLN   4   9.674  -1.688   4.553
   21   1HB   GLN   4          2HB       GLN   4  10.250  -2.626   6.641
   22   2HB   GLN   4          1HB       GLN   4   9.744  -0.975   6.986
   23   1HG   GLN   4          2HG       GLN   4   7.713  -3.188   7.115
   24   2HG   GLN   4          1HG       GLN   4   8.829  -2.958   8.457
   25   1HE2  GLN   4          2HE2      GLN   4   5.706  -0.804   8.829
   26   2HE2  GLN   4          1HE2      GLN   4   5.889  -2.444   8.434
   27    H    LYS   5           H        LYS   5   6.606  -2.115   4.145
   28    HA   LYS   5           HA       LYS   5   6.850  -5.083   3.953
   29   1HB   LYS   5          2HB       LYS   5   4.766  -3.476   5.361
   30   2HB   LYS   5          1HB       LYS   5   4.250  -4.928   4.503
   31   1HG   LYS   5          2HG       LYS   5   6.654  -5.493   5.994
   32   2HG   LYS   5          1HG       LYS   5   5.442  -4.790   7.067
   33   1HD   LYS   5          2HD       LYS   5   4.215  -6.700   5.268
   34   2HD   LYS   5          1HD       LYS   5   5.546  -7.450   6.151
   35   1HE   LYS   5          2HE       LYS   5   3.766  -5.708   7.758
   36   2HE   LYS   5          1HE       LYS   5   3.040  -7.202   7.166
   37   1HZ   LYS   5          3HZ       LYS   5   5.088  -8.341   8.045
   38   2HZ   LYS   5          2HZ       LYS   5   5.456  -6.890   8.848
   39   3HZ   LYS   5          1HZ       LYS   5   4.025  -7.727   9.215
   40    H    CYS   6           H        CYS   6   6.501  -2.324   2.348
   41    HA   CYS   6           HA       CYS   6   4.419  -3.243   0.451
   42   1HB   CYS   6          2HB       CYS   6   5.473  -0.727   1.457
   43   2HB   CYS   6          1HB       CYS   6   5.413  -0.740  -0.296
   44    H    THR   7           H        THR   7   7.868  -2.571   0.747
   45    HA   THR   7           HA       THR   7   8.596  -2.369  -1.934
   46    HB   THR   7           HB       THR   7  10.084  -3.845   0.245
   47    HG1  THR   7           HG1      THR   7  10.625  -1.934   0.897
   48   1HG2  THR   7          1HG2      THR   7  10.951  -2.824  -2.469
   49   2HG2  THR   7          3HG2      THR   7  12.090  -3.227  -1.185
   50   3HG2  THR   7          2HG2      THR   7  11.046  -4.477  -1.861
   51    H    SER   8           H        SER   8   9.501  -5.439  -0.538
   52    HA   SER   8           HA       SER   8   8.499  -6.707  -3.011
   53   1HB   SER   8          2HB       SER   8   9.491  -8.768  -1.549
   54   2HB   SER   8          1HB       SER   8  10.500  -7.755  -2.578
   55    HG   SER   8           HG       SER   8  10.761  -8.106  -0.025
   56    H    GLY   9           H        GLY   9   6.681  -5.546  -0.935
   57   1HA   GLY   9          2HA       GLY   9   5.072  -8.021  -0.575
   58   2HA   GLY   9          1HA       GLY   9   5.513  -7.160   0.892
   59    H    CYS  10           H        CYS  10   4.804  -5.257  -1.998
   60    HA   CYS  10           HA       CYS  10   2.805  -3.741  -0.678
   61   1HB   CYS  10          2HB       CYS  10   3.874  -3.140  -2.903
   62   2HB   CYS  10          1HB       CYS  10   2.786  -4.309  -3.655
   63    H    LYS  11           H        LYS  11   1.028  -4.632   0.242
   64    HA   LYS  11           HA       LYS  11  -0.264  -6.924  -1.169
   65   1HB   LYS  11          2HB       LYS  11   0.500  -7.009   1.307
   66   2HB   LYS  11          1HB       LYS  11  -0.940  -6.040   1.624
   67   1HG   LYS  11          2HG       LYS  11  -2.358  -7.772   1.196
   68   2HG   LYS  11          1HG       LYS  11  -1.366  -8.385  -0.129
   69   1HD   LYS  11          2HD       LYS  11   0.255  -8.819   2.055
   70   2HD   LYS  11          1HD       LYS  11  -1.351  -9.125   2.718
   71   1HE   LYS  11          2HE       LYS  11  -1.048 -11.204   1.834
   72   2HE   LYS  11          1HE       LYS  11  -1.536 -10.424   0.329
   73   1HZ   LYS  11          3HZ       LYS  11   0.989  -9.838   0.225
   74   2HZ   LYS  11          2HZ       LYS  11   1.143 -11.185   1.249
   75   3HZ   LYS  11          1HZ       LYS  11   0.438 -11.358  -0.287
   76    H    CYS  12           H        CYS  12  -0.748  -3.584  -0.826
   77    HA   CYS  12           HA       CYS  12  -3.590  -3.595  -0.509
   78   1HB   CYS  12          2HB       CYS  12  -2.022  -1.398  -1.826
   79   2HB   CYS  12          1HB       CYS  12  -3.410  -1.313  -0.784
   80    H    ALA  13           H        ALA  13  -4.943  -4.352  -2.035
   81    HA   ALA  13           HA       ALA  13  -4.093  -4.460  -4.864
   82   1HB   ALA  13          3HB       ALA  13  -6.494  -5.492  -3.339
   83   2HB   ALA  13          2HB       ALA  13  -6.444  -5.505  -5.101
   84   3HB   ALA  13          1HB       ALA  13  -5.254  -6.423  -4.179
   85    H    THR  14           H        THR  14  -6.045  -2.611  -2.706
   86    HA   THR  14           HA       THR  14  -6.531  -0.601  -4.788
   87    HB   THR  14           HB       THR  14  -9.011  -0.526  -4.149
   88    HG1  THR  14           HG1      THR  14  -9.517  -2.921  -3.577
   89   1HG2  THR  14          1HG2      THR  14  -7.928  -2.952  -5.605
   90   2HG2  THR  14          3HG2      THR  14  -9.593  -2.381  -5.704
   91   3HG2  THR  14          2HG2      THR  14  -8.279  -1.378  -6.318
   92    H    LYS  15           H        LYS  15  -7.608   1.376  -3.653
   93    HA   LYS  15           HA       LYS  15  -6.081   2.083  -1.368
   94   1HB   LYS  15          2HB       LYS  15  -7.951   3.857  -1.067
   95   2HB   LYS  15          1HB       LYS  15  -7.039   3.883  -2.577
   96   1HG   LYS  15          2HG       LYS  15  -9.191   2.050  -2.921
   97   2HG   LYS  15          1HG       LYS  15  -9.861   3.522  -2.217
   98   1HD   LYS  15          2HD       LYS  15  -8.550   4.814  -3.974
   99   2HD   LYS  15          1HD       LYS  15  -8.233   3.263  -4.753
  100   1HE   LYS  15          2HE       LYS  15 -10.597   2.863  -5.065
  101   2HE   LYS  15          1HE       LYS  15 -11.012   4.279  -4.098
  102   1HZ   LYS  15          3HZ       LYS  15  -9.228   4.807  -6.305
  103   2HZ   LYS  15          2HZ       LYS  15 -10.773   4.276  -6.771
  104   3HZ   LYS  15          1HZ       LYS  15 -10.604   5.657  -5.794
  105    H    GLU  16           H        GLU  16  -8.905   0.126  -1.625
  106    HA   GLU  16           HA       GLU  16  -9.956   0.541   1.026
  107   1HB   GLU  16          2HB       GLU  16 -10.779  -0.871  -1.183
  108   2HB   GLU  16          1HB       GLU  16 -10.257  -2.165  -0.104
  109   1HG   GLU  16          2HG       GLU  16 -11.878  -1.703   1.464
  110   2HG   GLU  16          1HG       GLU  16 -11.906   0.019   1.081
  111    H    GLU  17           H        GLU  17  -7.604  -1.740  -0.346
  112    HA   GLU  17           HA       GLU  17  -7.130  -2.983   2.278
  113   1HB   GLU  17          2HB       GLU  17  -5.393  -3.332  -0.163
  114   2HB   GLU  17          1HB       GLU  17  -5.708  -4.483   1.135
  115   1HG   GLU  17          2HG       GLU  17  -8.026  -3.544  -0.512
  116   2HG   GLU  17          1HG       GLU  17  -6.919  -4.715  -1.220
  117    H    CYS  18           H        CYS  18  -5.888  -0.412   0.337
  118    HA   CYS  18           HA       CYS  18  -3.244  -0.172   1.394
  119   1HB   CYS  18          2HB       CYS  18  -4.261   1.054  -0.584
  120   2HB   CYS  18          1HB       CYS  18  -5.016   2.121   0.589
  121    H    SER  19           H        SER  19  -6.366   0.890   2.503
  122    HA   SER  19           HA       SER  19  -5.357   2.656   4.579
  123   1HB   SER  19          2HB       SER  19  -7.943   1.764   3.587
  124   2HB   SER  19          1HB       SER  19  -7.911   1.824   5.347
  125    HG   SER  19           HG       SER  19  -7.528   3.867   3.458
  126    H    LYS  20           H        LYS  20  -5.061  -0.586   4.288
  127    HA   LYS  20           HA       LYS  20  -5.501  -1.159   7.150
  128   1HB   LYS  20          2HB       LYS  20  -6.627  -2.645   5.606
  129   2HB   LYS  20          1HB       LYS  20  -5.127  -2.924   4.721
  130   1HG   LYS  20          2HG       LYS  20  -4.419  -4.463   6.202
  131   2HG   LYS  20          1HG       LYS  20  -4.867  -3.457   7.580
  132   1HD   LYS  20          2HD       LYS  20  -6.561  -4.912   7.935
  133   2HD   LYS  20          1HD       LYS  20  -7.317  -4.219   6.499
  134   1HE   LYS  20          2HE       LYS  20  -6.456  -5.917   5.088
  135   2HE   LYS  20          1HE       LYS  20  -5.284  -6.441   6.297
  136   1HZ   LYS  20          3HZ       LYS  20  -8.183  -6.570   6.830
  137   2HZ   LYS  20          2HZ       LYS  20  -7.394  -7.819   5.992
  138   3HZ   LYS  20          1HZ       LYS  20  -6.928  -7.429   7.579
  139    H    THR  21           H        THR  21  -2.995  -1.109   4.632
  140    HA   THR  21           HA       THR  21  -1.033  -1.889   6.728
  141    HB   THR  21           HB       THR  21  -0.581  -3.388   5.027
  142    HG1  THR  21           HG1      THR  21   1.081  -2.301   3.642
  143   1HG2  THR  21          3HG2      THR  21  -2.356  -2.516   3.550
  144   2HG2  THR  21          2HG2      THR  21  -1.289  -1.205   3.048
  145   3HG2  THR  21          1HG2      THR  21  -0.887  -2.874   2.641
  146    H    CYS  22           H        CYS  22  -2.093   0.620   4.759
  147    HA   CYS  22           HA       CYS  22  -0.015   2.404   5.886
  148   1HB   CYS  22          2HB       CYS  22  -0.576   3.061   3.076
  149   2HB   CYS  22          1HB       CYS  22   0.959   3.039   3.935
  150    H    THR  23           H        THR  23  -0.646   4.761   4.802
  151    HA   THR  23           HA       THR  23  -3.575   5.050   5.292
  152    HB   THR  23           HB       THR  23  -1.380   7.060   5.816
  153    HG1  THR  23           HG1      THR  23  -1.515   5.141   7.203
  154   1HG2  THR  23          3HG2      THR  23  -4.362   7.095   6.033
  155   2HG2  THR  23          2HG2      THR  23  -3.430   7.970   7.248
  156   3HG2  THR  23          1HG2      THR  23  -3.257   8.380   5.542
  157    H    LYS  24           H        LYS  24  -1.128   5.329   3.069
  158    HA   LYS  24           HA       LYS  24  -2.887   6.721   1.160
  159   1HB   LYS  24          2HB       LYS  24  -0.332   7.940   0.814
  160   2HB   LYS  24          1HB       LYS  24  -1.847   8.722   1.260
  161   1HG   LYS  24          2HG       LYS  24  -1.386   8.579   3.560
  162   2HG   LYS  24          1HG       LYS  24  -0.193   7.299   3.338
  163   1HD   LYS  24          2HD       LYS  24   0.326   9.930   2.017
  164   2HD   LYS  24          1HD       LYS  24   0.550   9.826   3.764
  165   1HE   LYS  24          2HE       LYS  24   1.729   7.697   2.003
  166   2HE   LYS  24          1HE       LYS  24   2.555   9.249   2.160
  167   1HZ   LYS  24          3HZ       LYS  24   1.711   7.555   4.446
  168   2HZ   LYS  24          2HZ       LYS  24   3.284   7.587   3.802
  169   3HZ   LYS  24          1HZ       LYS  24   2.629   8.979   4.524
  170    HA   PRO  25           HA       PRO  25  -0.716   4.259  -1.812
  171   1HB   PRO  25          2HB       PRO  25  -0.280   6.001  -3.884
  172   2HB   PRO  25          1HB       PRO  25  -1.875   5.335  -3.493
  173   1HG   PRO  25          2HG       PRO  25  -0.824   8.085  -3.018
  174   2HG   PRO  25          1HG       PRO  25  -2.496   7.544  -3.237
  175   1HD   PRO  25          1HD       PRO  25  -1.278   8.184  -0.770
  176   2HD   PRO  25          2HD       PRO  25  -2.818   7.327  -0.977
  177    H    CYS  26           H        CYS  26   1.135   3.783  -0.759
  178    HA   CYS  26           HA       CYS  26   3.442   5.352  -0.403
  179   1HB   CYS  26          2HB       CYS  26   2.927   2.406  -0.817
  180   2HB   CYS  26          1HB       CYS  26   4.572   3.001  -0.688
  181    H    SER  27           H        SER  27   5.481   4.027  -1.939
  182    HA   SER  27           HA       SER  27   4.980   5.323  -4.526
  183   1HB   SER  27          2HB       SER  27   7.235   5.286  -3.286
  184   2HB   SER  27          1HB       SER  27   7.378   3.619  -3.839
  185    HG   SER  27           HG       SER  27   7.498   4.299  -5.886
  186    H    CYS  28           H        CYS  28   3.414   2.807  -3.668
  187    HA   CYS  28           HA       CYS  28   3.871   1.403  -6.246
  188   1HB   CYS  28          2HB       CYS  28   3.771  -0.811  -4.806
  189   2HB   CYS  28          1HB       CYS  28   5.305   0.017  -5.083
  190    H    CYS  29           H        CYS  29   1.822   1.810  -3.358
  191    HA   CYS  29           HA       CYS  29  -0.189  -0.012  -4.118
  192   1HB   CYS  29          2HB       CYS  29  -0.879   2.545  -2.783
  193   2HB   CYS  29          1HB       CYS  29  -1.365   0.917  -2.421
  194    HA   PRO  30           HA       PRO  30  -2.525   2.316  -7.132
  195   1HB   PRO  30          2HB       PRO  30  -4.751   3.501  -6.041
  196   2HB   PRO  30          1HB       PRO  30  -4.618   1.758  -6.342
  197   1HG   PRO  30          2HG       PRO  30  -4.355   3.248  -3.751
  198   2HG   PRO  30          1HG       PRO  30  -4.995   1.624  -4.044
  199   1HD   PRO  30          1HD       PRO  30  -2.531   2.202  -3.038
  200   2HD   PRO  30          2HD       PRO  30  -2.942   0.664  -3.819
  201    H    LYS  31           HN       LYS  31  -3.702   4.646  -7.603
  202    HA   LYS  31           HA       LYS  31  -1.643   6.636  -6.910
  203   1HB   LYS  31          2HB       LYS  31  -2.814   6.229  -9.235
  204   2HB   LYS  31          1HB       LYS  31  -4.076   7.257  -8.557
  205   1HG   LYS  31          2HG       LYS  31  -2.819   9.013  -9.218
  206   2HG   LYS  31          1HG       LYS  31  -1.724   8.590  -7.901
  207   1HD   LYS  31          2HD       LYS  31  -0.719   6.892  -9.611
  208   2HD   LYS  31          1HD       LYS  31  -1.518   7.897 -10.820
  209   1HE   LYS  31          2HE       LYS  31   0.328   9.022  -8.702
  210   2HE   LYS  31          1HE       LYS  31   0.882   8.548 -10.308
  211   1HZ   LYS  31          2HZ       LYS  31  -1.265  10.054 -10.879
  212   2HZ   LYS  31          1HZ       LYS  31  -0.672  10.843  -9.497
  213   3HZ   LYS  31          3HZ       LYS  31   0.332  10.634 -10.848
   
  Start of MODEL          17
 Raw file had  213 H/Q atoms
  Start of MODEL   17
    1   1H    SER   1          2H        SER   1  -6.005   6.688   2.080
    2   2H    SER   1          1H        SER   1  -5.958   7.817   0.811
    3   3H    SER   1          3H        SER   1  -7.069   8.012   2.079
    4    HA   SER   1           HA       SER   1  -8.238   6.007   1.427
    5   1HB   SER   1          2HB       SER   1  -9.214   7.848   0.370
    6   2HB   SER   1          1HB       SER   1  -7.756   8.228  -0.544
    7    HG   SER   1           HG       SER   1  -9.143   5.807  -0.950
    8    HA   PRO   2           HA       PRO   2  -5.465   3.256  -0.571
    9   1HB   PRO   2          2HB       PRO   2  -6.927   1.040   0.118
   10   2HB   PRO   2          1HB       PRO   2  -5.688   1.823   1.101
   11   1HG   PRO   2          2HG       PRO   2  -8.592   1.833   1.513
   12   2HG   PRO   2          1HG       PRO   2  -7.308   2.332   2.623
   13   1HD   PRO   2          1HD       PRO   2  -9.032   3.994   1.036
   14   2HD   PRO   2          2HD       PRO   2  -7.782   4.467   2.202
   15    H    CYS   3           H        CYS   3  -5.299   2.144  -2.375
   16    HA   CYS   3           HA       CYS   3  -7.150   2.840  -4.437
   17   1HB   CYS   3          2HB       CYS   3  -5.609   1.432  -5.861
   18   2HB   CYS   3          1HB       CYS   3  -4.853   2.735  -4.986
   19    H    GLN   4           H        GLN   4  -7.218   0.681  -6.109
   20    HA   GLN   4           HA       GLN   4  -9.500  -0.793  -5.015
   21   1HB   GLN   4          2HB       GLN   4  -9.617  -1.768  -7.276
   22   2HB   GLN   4          1HB       GLN   4  -9.521  -0.008  -7.316
   23   1HG   GLN   4          2HG       GLN   4  -7.128  -0.113  -7.794
   24   2HG   GLN   4          1HG       GLN   4  -7.154  -1.871  -7.654
   25   1HE2  GLN   4          2HE2      GLN   4  -8.522  -2.382 -10.891
   26   2HE2  GLN   4          1HE2      GLN   4  -8.145  -3.101  -9.401
   27    H    LYS   5           H        LYS   5  -6.571  -1.363  -4.206
   28    HA   LYS   5           HA       LYS   5  -6.881  -4.325  -4.291
   29   1HB   LYS   5          2HB       LYS   5  -4.771  -2.715  -5.570
   30   2HB   LYS   5          1HB       LYS   5  -4.180  -4.046  -4.575
   31   1HG   LYS   5          2HG       LYS   5  -6.322  -5.146  -5.998
   32   2HG   LYS   5          1HG       LYS   5  -5.486  -4.137  -7.178
   33   1HD   LYS   5          2HD       LYS   5  -3.760  -5.579  -7.301
   34   2HD   LYS   5          1HD       LYS   5  -3.591  -5.612  -5.545
   35   1HE   LYS   5          2HE       LYS   5  -4.477  -7.677  -5.516
   36   2HE   LYS   5          1HE       LYS   5  -5.975  -7.026  -6.182
   37   1HZ   LYS   5          1HZ       LYS   5  -3.887  -7.309  -8.133
   38   2HZ   LYS   5          3HZ       LYS   5  -4.333  -8.786  -7.426
   39   3HZ   LYS   5          2HZ       LYS   5  -5.505  -7.824  -8.191
   40    H    CYS   6           H        CYS   6  -6.710  -1.766  -2.447
   41    HA   CYS   6           HA       CYS   6  -4.772  -2.837  -0.466
   42   1HB   CYS   6          2HB       CYS   6  -5.563  -0.225  -1.455
   43   2HB   CYS   6          1HB       CYS   6  -5.663  -0.298   0.294
   44    H    THR   7           H        THR   7  -8.127  -1.764  -0.924
   45    HA   THR   7           HA       THR   7  -8.971  -1.680   1.714
   46    HB   THR   7           HB       THR   7 -10.580  -1.055   0.153
   47    HG1  THR   7           HG1      THR   7 -11.904  -2.109   1.415
   48   1HG2  THR   7          1HG2      THR   7  -9.389  -3.201  -1.366
   49   2HG2  THR   7          3HG2      THR   7 -11.148  -3.293  -1.445
   50   3HG2  THR   7          2HG2      THR   7 -10.319  -1.817  -1.939
   51    H    SER   8           H        SER   8 -10.043  -4.547  -0.025
   52    HA   SER   8           HA       SER   8  -9.486  -6.076   2.435
   53   1HB   SER   8          2HB       SER   8 -10.518  -7.934   0.848
   54   2HB   SER   8          1HB       SER   8 -11.565  -6.733   1.600
   55    HG   SER   8           HG       SER   8 -11.715  -7.099  -0.785
   56    H    GLY   9           H        GLY   9  -7.366  -4.955   0.572
   57   1HA   GLY   9          2HA       GLY   9  -5.910  -7.531   0.289
   58   2HA   GLY   9          1HA       GLY   9  -6.150  -6.607  -1.186
   59    H    CYS  10           H        CYS  10  -5.481  -5.015   1.948
   60    HA   CYS  10           HA       CYS  10  -3.319  -3.530   0.789
   61   1HB   CYS  10          2HB       CYS  10  -4.513  -2.923   2.953
   62   2HB   CYS  10          1HB       CYS  10  -3.560  -4.187   3.738
   63    H    LYS  11           H        LYS  11  -1.555  -4.509  -0.029
   64    HA   LYS  11           HA       LYS  11  -0.529  -6.947   1.346
   65   1HB   LYS  11          2HB       LYS  11  -0.900  -7.451  -0.913
   66   2HB   LYS  11          1HB       LYS  11  -0.333  -5.875  -1.458
   67   1HG   LYS  11          2HG       LYS  11   1.974  -6.484  -0.790
   68   2HG   LYS  11          1HG       LYS  11   1.399  -8.076  -0.289
   69   1HD   LYS  11          2HD       LYS  11   1.808  -8.734  -2.415
   70   2HD   LYS  11          1HD       LYS  11   0.382  -7.796  -2.861
   71   1HE   LYS  11          2HE       LYS  11   2.164  -5.794  -2.785
   72   2HE   LYS  11          1HE       LYS  11   3.268  -7.115  -3.168
   73   1HZ   LYS  11          2HZ       LYS  11   1.532  -7.716  -4.931
   74   2HZ   LYS  11          1HZ       LYS  11   0.955  -6.132  -4.712
   75   3HZ   LYS  11          3HZ       LYS  11   2.550  -6.390  -5.229
   76    H    CYS  12           H        CYS  12   0.197  -3.631   1.194
   77    HA   CYS  12           HA       CYS  12   3.049  -3.839   1.098
   78   1HB   CYS  12          2HB       CYS  12   1.556  -1.551   2.330
   79   2HB   CYS  12          1HB       CYS  12   3.009  -1.557   1.378
   80    H    ALA  13           H        ALA  13   4.253  -4.663   2.717
   81    HA   ALA  13           HA       ALA  13   3.199  -4.686   5.486
   82   1HB   ALA  13          3HB       ALA  13   4.558  -6.600   4.211
   83   2HB   ALA  13          2HB       ALA  13   5.943  -5.668   4.779
   84   3HB   ALA  13          1HB       ALA  13   4.788  -6.325   5.938
   85    H    THR  14           H        THR  14   5.386  -3.023   3.415
   86    HA   THR  14           HA       THR  14   5.968  -1.029   5.497
   87    HB   THR  14           HB       THR  14   8.384  -1.872   4.014
   88    HG1  THR  14           HG1      THR  14   7.782  -3.410   6.250
   89   1HG2  THR  14          3HG2      THR  14   7.961  -0.160   5.995
   90   2HG2  THR  14          2HG2      THR  14   8.167  -1.605   6.985
   91   3HG2  THR  14          1HG2      THR  14   9.460  -1.084   5.903
   92    H    LYS  15           H        LYS  15   7.742   0.535   4.143
   93    HA   LYS  15           HA       LYS  15   6.115   1.520   1.945
   94   1HB   LYS  15          2HB       LYS  15   7.704   3.298   1.774
   95   2HB   LYS  15          1HB       LYS  15   7.591   2.932   3.495
   96   1HG   LYS  15          2HG       LYS  15   9.624   1.589   3.386
   97   2HG   LYS  15          1HG       LYS  15   9.712   1.817   1.638
   98   1HD   LYS  15          2HD       LYS  15  10.898   3.697   1.984
   99   2HD   LYS  15          1HD       LYS  15   9.481   4.403   2.762
  100   1HE   LYS  15          2HE       LYS  15  10.459   4.279   4.784
  101   2HE   LYS  15          1HE       LYS  15  10.787   2.561   4.566
  102   1HZ   LYS  15          1HZ       LYS  15  12.685   3.335   3.087
  103   2HZ   LYS  15          3HZ       LYS  15  12.463   4.864   3.786
  104   3HZ   LYS  15          2HZ       LYS  15  12.875   3.537   4.764
  105    H    GLU  16           H        GLU  16   8.809  -0.663   2.238
  106    HA   GLU  16           HA       GLU  16   9.832  -0.489  -0.428
  107   1HB   GLU  16          2HB       GLU  16  10.336  -2.069   1.838
  108   2HB   GLU  16          1HB       GLU  16   9.815  -3.213   0.600
  109   1HG   GLU  16          2HG       GLU  16  11.522  -2.508  -0.910
  110   2HG   GLU  16          1HG       GLU  16  11.891  -1.082   0.061
  111    H    GLU  17           H        GLU  17   7.305  -2.558   1.005
  112    HA   GLU  17           HA       GLU  17   6.573  -3.703  -1.578
  113   1HB   GLU  17          2HB       GLU  17   4.893  -3.708   0.938
  114   2HB   GLU  17          1HB       GLU  17   4.885  -4.888  -0.374
  115   1HG   GLU  17          2HG       GLU  17   7.475  -4.450   1.031
  116   2HG   GLU  17          1HG       GLU  17   6.218  -5.307   1.921
  117    H    CYS  18           H        CYS  18   5.603  -0.984   0.384
  118    HA   CYS  18           HA       CYS  18   3.069  -0.407  -0.815
  119   1HB   CYS  18          2HB       CYS  18   4.163   0.639   1.250
  120   2HB   CYS  18          1HB       CYS  18   5.035   1.663   0.125
  121    H    SER  19           H        SER  19   6.348   0.207  -1.763
  122    HA   SER  19           HA       SER  19   5.736   2.166  -3.823
  123   1HB   SER  19          2HB       SER  19   8.087   0.907  -2.712
  124   2HB   SER  19          1HB       SER  19   8.161   0.882  -4.471
  125    HG   SER  19           HG       SER  19   8.831   2.865  -3.072
  126    H    LYS  20           H        LYS  20   4.904  -0.981  -3.644
  127    HA   LYS  20           HA       LYS  20   5.397  -1.574  -6.498
  128   1HB   LYS  20          2HB       LYS  20   6.117  -3.319  -5.039
  129   2HB   LYS  20          1HB       LYS  20   4.626  -3.242  -4.101
  130   1HG   LYS  20          2HG       LYS  20   3.759  -4.826  -5.440
  131   2HG   LYS  20          1HG       LYS  20   3.837  -3.682  -6.780
  132   1HD   LYS  20          2HD       LYS  20   6.185  -5.391  -5.922
  133   2HD   LYS  20          1HD       LYS  20   5.053  -5.866  -7.189
  134   1HE   LYS  20          2HE       LYS  20   6.376  -4.714  -8.613
  135   2HE   LYS  20          1HE       LYS  20   5.719  -3.255  -7.871
  136   1HZ   LYS  20          2HZ       LYS  20   8.093  -4.714  -6.846
  137   2HZ   LYS  20          1HZ       LYS  20   8.179  -3.366  -7.877
  138   3HZ   LYS  20          3HZ       LYS  20   7.512  -3.204  -6.326
  139    H    THR  21           H        THR  21   2.749  -1.470  -4.074
  140    HA   THR  21           HA       THR  21   0.831  -1.647  -6.326
  141    HB   THR  21           HB       THR  21   0.353  -3.228  -4.572
  142    HG1  THR  21           HG1      THR  21  -1.489  -2.291  -5.372
  143   1HG2  THR  21          1HG2      THR  21   1.211  -1.003  -2.909
  144   2HG2  THR  21          3HG2      THR  21  -0.306  -1.692  -2.334
  145   3HG2  THR  21          2HG2      THR  21   1.115  -2.720  -2.516
  146    H    CYS  22           H        CYS  22   2.193   0.591  -4.224
  147    HA   CYS  22           HA       CYS  22   0.422   2.688  -5.317
  148   1HB   CYS  22          2HB       CYS  22   0.828   3.158  -2.458
  149   2HB   CYS  22          1HB       CYS  22  -0.642   3.294  -3.416
  150    H    THR  23           H        THR  23   1.229   4.900  -4.257
  151    HA   THR  23           HA       THR  23   4.210   4.841  -4.360
  152    HB   THR  23           HB       THR  23   2.392   7.150  -5.054
  153    HG1  THR  23           HG1      THR  23   3.323   4.986  -6.531
  154   1HG2  THR  23          3HG2      THR  23   5.233   6.853  -4.692
  155   2HG2  THR  23          2HG2      THR  23   4.895   7.273  -6.372
  156   3HG2  THR  23          1HG2      THR  23   4.316   8.311  -5.069
  157    H    LYS  24           H        LYS  24   1.547   5.379  -2.465
  158    HA   LYS  24           HA       LYS  24   3.174   6.641  -0.341
  159   1HB   LYS  24          2HB       LYS  24   0.751   7.830  -1.669
  160   2HB   LYS  24          1HB       LYS  24   1.038   8.150   0.038
  161   1HG   LYS  24          2HG       LYS  24   3.445   8.460  -1.609
  162   2HG   LYS  24          1HG       LYS  24   2.149   9.567  -2.062
  163   1HD   LYS  24          2HD       LYS  24   2.177   9.558   0.752
  164   2HD   LYS  24          1HD       LYS  24   3.870   9.642   0.263
  165   1HE   LYS  24          2HE       LYS  24   1.648  11.472  -0.693
  166   2HE   LYS  24          1HE       LYS  24   2.935  11.904   0.434
  167   1HZ   LYS  24          3HZ       LYS  24   4.545  11.369  -1.332
  168   2HZ   LYS  24          2HZ       LYS  24   3.258  11.107  -2.409
  169   3HZ   LYS  24          1HZ       LYS  24   3.517  12.651  -1.750
  170    HA   PRO  25           HA       PRO  25   0.717   4.031   2.284
  171   1HB   PRO  25          2HB       PRO  25   0.415   5.625   4.493
  172   2HB   PRO  25          1HB       PRO  25   1.931   4.804   4.080
  173   1HG   PRO  25          2HG       PRO  25   1.221   7.694   3.800
  174   2HG   PRO  25          1HG       PRO  25   2.805   6.947   4.071
  175   1HD   PRO  25          1HD       PRO  25   1.884   7.919   1.608
  176   2HD   PRO  25          2HD       PRO  25   3.236   6.788   1.818
  177    H    CYS  26           H        CYS  26  -1.117   3.833   1.183
  178    HA   CYS  26           HA       CYS  26  -3.228   5.644   0.839
  179   1HB   CYS  26          2HB       CYS  26  -3.056   2.642   1.155
  180   2HB   CYS  26          1HB       CYS  26  -4.612   3.432   0.949
  181    H    SER  27           H        SER  27  -5.457   4.504   2.217
  182    HA   SER  27           HA       SER  27  -4.953   5.631   4.875
  183   1HB   SER  27          2HB       SER  27  -7.252   5.652   5.155
  184   2HB   SER  27          1HB       SER  27  -7.150   5.714   3.399
  185    HG   SER  27           HG       SER  27  -8.579   4.084   4.046
  186    H    CYS  28           H        CYS  28  -3.639   2.960   3.966
  187    HA   CYS  28           HA       CYS  28  -4.387   1.546   6.483
  188   1HB   CYS  28          2HB       CYS  28  -4.384  -0.623   4.974
  189   2HB   CYS  28          1HB       CYS  28  -5.851   0.339   5.165
  190    H    CYS  29           H        CYS  29  -2.116   1.892   3.770
  191    HA   CYS  29           HA       CYS  29  -0.309  -0.118   4.566
  192   1HB   CYS  29          2HB       CYS  29   0.640   2.452   3.402
  193   2HB   CYS  29          1HB       CYS  29   1.068   0.814   3.014
  194    HA   PRO  30           HA       PRO  30   1.976   1.853   7.865
  195   1HB   PRO  30          2HB       PRO  30   4.313   3.021   7.005
  196   2HB   PRO  30          1HB       PRO  30   4.091   1.269   7.168
  197   1HG   PRO  30          2HG       PRO  30   4.035   2.955   4.682
  198   2HG   PRO  30          1HG       PRO  30   4.620   1.296   4.891
  199   1HD   PRO  30          1HD       PRO  30   2.244   1.990   3.777
  200   2HD   PRO  30          2HD       PRO  30   2.552   0.405   4.510
  201    H    LYS  31           HN       LYS  31   2.220   3.840   9.060
  202    HA   LYS  31           HA       LYS  31   0.849   6.130   7.865
  203   1HB   LYS  31          2HB       LYS  31   1.299   7.167  10.130
  204   2HB   LYS  31          1HB       LYS  31   0.397   5.652  10.187
  205   1HG   LYS  31          2HG       LYS  31   3.164   4.986  10.219
  206   2HG   LYS  31          1HG       LYS  31   2.918   6.265  11.409
  207   1HD   LYS  31          2HD       LYS  31   2.070   4.724  12.813
  208   2HD   LYS  31          1HD       LYS  31   0.725   4.507  11.692
  209   1HE   LYS  31          2HE       LYS  31   1.472   2.462  11.131
  210   2HE   LYS  31          1HE       LYS  31   3.041   3.129  10.678
  211   1HZ   LYS  31          3HZ       LYS  31   2.811   3.113  13.480
  212   2HZ   LYS  31          2HZ       LYS  31   2.425   1.564  12.896
  213   3HZ   LYS  31          1HZ       LYS  31   3.918   2.276  12.506
   
  Start of MODEL          18
 Raw file had  213 H/Q atoms
  Start of MODEL   18
    1   1H    SER   1          1H        SER   1  -6.032   6.758   1.541
    2   2H    SER   1          3H        SER   1  -6.813   8.008   0.704
    3   3H    SER   1          2H        SER   1  -7.378   7.529   2.232
    4    HA   SER   1           HA       SER   1  -8.372   5.635   1.461
    5   1HB   SER   1          2HB       SER   1  -9.839   6.903   0.285
    6   2HB   SER   1          1HB       SER   1  -8.564   7.962  -0.309
    7    HG   SER   1           HG       SER   1  -9.352   6.900  -2.070
    8    HA   PRO   2           HA       PRO   2  -5.420   3.233  -0.699
    9   1HB   PRO   2          2HB       PRO   2  -6.586   0.848   0.040
   10   2HB   PRO   2          1HB       PRO   2  -5.409   1.754   0.990
   11   1HG   PRO   2          2HG       PRO   2  -8.256   1.414   1.520
   12   2HG   PRO   2          1HG       PRO   2  -7.009   2.111   2.560
   13   1HD   PRO   2          1HD       PRO   2  -9.006   3.482   0.986
   14   2HD   PRO   2          2HD       PRO   2  -7.837   4.138   2.147
   15    H    CYS   3           H        CYS   3  -5.239   2.153  -2.581
   16    HA   CYS   3           HA       CYS   3  -7.204   2.729  -4.511
   17   1HB   CYS   3          2HB       CYS   3  -5.849   1.169  -5.991
   18   2HB   CYS   3          1HB       CYS   3  -5.000   2.516  -5.282
   19    H    GLN   4           H        GLN   4  -7.585   0.577  -6.091
   20    HA   GLN   4           HA       GLN   4  -9.779  -0.750  -4.671
   21   1HB   GLN   4          2HB       GLN   4 -10.322  -1.688  -6.848
   22   2HB   GLN   4          1HB       GLN   4  -9.996   0.040  -6.990
   23   1HG   GLN   4          2HG       GLN   4  -7.502  -0.943  -7.373
   24   2HG   GLN   4          1HG       GLN   4  -8.459  -2.265  -8.044
   25   1HE2  GLN   4          2HE2      GLN   4  -7.858   0.810 -10.402
   26   2HE2  GLN   4          1HE2      GLN   4  -6.831   0.269  -9.164
   27    H    LYS   5           H        LYS   5  -6.832  -1.452  -4.196
   28    HA   LYS   5           HA       LYS   5  -7.274  -4.384  -4.131
   29   1HB   LYS   5          2HB       LYS   5  -5.325  -2.947  -5.803
   30   2HB   LYS   5          1HB       LYS   5  -4.642  -4.267  -4.853
   31   1HG   LYS   5          2HG       LYS   5  -7.086  -5.235  -5.892
   32   2HG   LYS   5          1HG       LYS   5  -6.279  -4.413  -7.228
   33   1HD   LYS   5          2HD       LYS   5  -4.190  -5.697  -6.666
   34   2HD   LYS   5          1HD       LYS   5  -5.134  -6.614  -5.491
   35   1HE   LYS   5          2HE       LYS   5  -6.454  -6.484  -8.089
   36   2HE   LYS   5          1HE       LYS   5  -4.856  -7.226  -8.193
   37   1HZ   LYS   5          1HZ       LYS   5  -6.323  -8.111  -5.907
   38   2HZ   LYS   5          3HZ       LYS   5  -7.145  -8.446  -7.352
   39   3HZ   LYS   5          2HZ       LYS   5  -5.563  -9.021  -7.124
   40    H    CYS   6           H        CYS   6  -6.617  -1.748  -2.446
   41    HA   CYS   6           HA       CYS   6  -4.427  -2.885  -0.798
   42   1HB   CYS   6          2HB       CYS   6  -5.280  -0.253  -1.633
   43   2HB   CYS   6          1HB       CYS   6  -5.181  -0.325   0.115
   44    H    THR   7           H        THR   7  -7.853  -2.228  -0.782
   45    HA   THR   7           HA       THR   7  -8.334  -1.917   1.956
   46    HB   THR   7           HB       THR   7  -9.965  -3.399  -0.106
   47    HG1  THR   7           HG1      THR   7  -9.974  -0.806   1.007
   48   1HG2  THR   7          2HG2      THR   7 -10.449  -2.874   2.805
   49   2HG2  THR   7          1HG2      THR   7 -11.814  -2.840   1.689
   50   3HG2  THR   7          3HG2      THR   7 -10.842  -4.303   1.848
   51    H    SER   8           H        SER   8  -9.353  -5.026   0.777
   52    HA   SER   8           HA       SER   8  -8.072  -6.219   3.159
   53   1HB   SER   8          2HB       SER   8  -9.225  -8.331   2.019
   54   2HB   SER   8          1HB       SER   8 -10.184  -7.171   2.934
   55    HG   SER   8           HG       SER   8 -10.176  -7.739   0.259
   56    H    GLY   9           H        GLY   9  -6.549  -5.122   0.830
   57   1HA   GLY   9          2HA       GLY   9  -4.944  -7.579   0.364
   58   2HA   GLY   9          1HA       GLY   9  -5.570  -6.768  -1.067
   59    H    CYS  10           H        CYS  10  -4.217  -5.344   1.943
   60    HA   CYS  10           HA       CYS  10  -2.643  -3.473   0.379
   61   1HB   CYS  10          2HB       CYS  10  -3.412  -3.046   2.752
   62   2HB   CYS  10          1HB       CYS  10  -2.214  -4.226   3.286
   63    H    LYS  11           H        LYS  11  -1.137  -4.418  -0.934
   64    HA   LYS  11           HA       LYS  11   0.367  -6.772  -0.084
   65   1HB   LYS  11          2HB       LYS  11   1.097  -5.028  -2.430
   66   2HB   LYS  11          1HB       LYS  11   1.318  -6.766  -2.240
   67   1HG   LYS  11          2HG       LYS  11  -1.105  -7.114  -2.359
   68   2HG   LYS  11          1HG       LYS  11  -1.367  -5.375  -2.479
   69   1HD   LYS  11          2HD       LYS  11  -0.768  -5.305  -4.671
   70   2HD   LYS  11          1HD       LYS  11   0.548  -6.459  -4.444
   71   1HE   LYS  11          2HE       LYS  11  -1.463  -8.158  -4.086
   72   2HE   LYS  11          1HE       LYS  11  -2.339  -6.968  -5.050
   73   1HZ   LYS  11          3HZ       LYS  11   0.267  -7.587  -6.089
   74   2HZ   LYS  11          2HZ       LYS  11  -0.763  -8.937  -6.036
   75   3HZ   LYS  11          1HZ       LYS  11  -1.232  -7.540  -6.881
   76    H    CYS  12           H        CYS  12   0.780  -3.384   0.367
   77    HA   CYS  12           HA       CYS  12   3.664  -3.502   0.455
   78   1HB   CYS  12          2HB       CYS  12   2.060  -1.234   1.522
   79   2HB   CYS  12          1HB       CYS  12   3.534  -1.231   0.608
   80    H    ALA  13           H        ALA  13   4.712  -4.226   2.220
   81    HA   ALA  13           HA       ALA  13   3.364  -4.062   4.874
   82   1HB   ALA  13          1HB       ALA  13   4.796  -6.131   3.699
   83   2HB   ALA  13          3HB       ALA  13   5.986  -5.384   4.764
   84   3HB   ALA  13          2HB       ALA  13   4.462  -5.978   5.424
   85    H    THR  14           H        THR  14   5.865  -2.791   2.894
   86    HA   THR  14           HA       THR  14   6.570  -0.823   4.980
   87    HB   THR  14           HB       THR  14   8.687  -2.397   3.471
   88    HG1  THR  14           HG1      THR  14   8.993  -3.499   5.311
   89   1HG2  THR  14          2HG2      THR  14   8.712   0.127   4.778
   90   2HG2  THR  14          1HG2      THR  14   9.603  -1.001   5.801
   91   3HG2  THR  14          3HG2      THR  14  10.085  -0.765   4.121
   92    H    LYS  15           H        LYS  15   7.265   1.172   3.999
   93    HA   LYS  15           HA       LYS  15   6.142   1.960   1.607
   94   1HB   LYS  15          2HB       LYS  15   7.629   3.835   1.580
   95   2HB   LYS  15          1HB       LYS  15   7.415   3.413   3.279
   96   1HG   LYS  15          2HG       LYS  15   9.555   1.825   2.462
   97   2HG   LYS  15          1HG       LYS  15   9.839   3.370   1.658
   98   1HD   LYS  15          2HD       LYS  15   9.690   4.560   3.766
   99   2HD   LYS  15          1HD       LYS  15   9.216   3.086   4.611
  100   1HE   LYS  15          2HE       LYS  15  11.445   2.928   5.065
  101   2HE   LYS  15          1HE       LYS  15  11.531   2.266   3.434
  102   1HZ   LYS  15          2HZ       LYS  15  11.813   5.147   4.089
  103   2HZ   LYS  15          1HZ       LYS  15  13.119   4.091   3.839
  104   3HZ   LYS  15          3HZ       LYS  15  12.043   4.420   2.570
  105    H    GLU  16           H        GLU  16   9.087   0.061   1.967
  106    HA   GLU  16           HA       GLU  16  10.167   0.411  -0.636
  107   1HB   GLU  16          2HB       GLU  16  11.455  -0.852   0.948
  108   2HB   GLU  16          1HB       GLU  16  10.137  -1.998   1.201
  109   1HG   GLU  16          2HG       GLU  16  10.892  -3.268  -0.496
  110   2HG   GLU  16          1HG       GLU  16  10.728  -1.903  -1.601
  111    H    GLU  17           H        GLU  17   7.894  -2.089   0.522
  112    HA   GLU  17           HA       GLU  17   7.312  -3.109  -2.104
  113   1HB   GLU  17          2HB       GLU  17   5.447  -3.236   0.266
  114   2HB   GLU  17          1HB       GLU  17   5.644  -4.416  -1.029
  115   1HG   GLU  17          2HG       GLU  17   8.078  -4.634  -0.185
  116   2HG   GLU  17          1HG       GLU  17   7.501  -3.820   1.269
  117    H    CYS  18           H        CYS  18   6.104  -0.432  -0.224
  118    HA   CYS  18           HA       CYS  18   3.602  -0.049  -1.584
  119   1HB   CYS  18          2HB       CYS  18   4.387   1.072   0.548
  120   2HB   CYS  18          1HB       CYS  18   5.328   2.147  -0.469
  121    H    SER  19           H        SER  19   6.882   0.822  -2.267
  122    HA   SER  19           HA       SER  19   6.317   2.778  -4.326
  123   1HB   SER  19          2HB       SER  19   8.563   2.150  -2.994
  124   2HB   SER  19          1HB       SER  19   8.829   1.170  -4.433
  125    HG   SER  19           HG       SER  19   9.655   3.241  -4.755
  126    H    LYS  20           H        LYS  20   5.706  -0.473  -4.210
  127    HA   LYS  20           HA       LYS  20   5.988  -0.756  -7.151
  128   1HB   LYS  20          2HB       LYS  20   7.491  -2.275  -6.115
  129   2HB   LYS  20          1HB       LYS  20   6.318  -2.698  -4.867
  130   1HG   LYS  20          2HG       LYS  20   5.020  -3.986  -6.344
  131   2HG   LYS  20          1HG       LYS  20   5.719  -3.222  -7.773
  132   1HD   LYS  20          2HD       LYS  20   6.646  -5.471  -7.523
  133   2HD   LYS  20          1HD       LYS  20   7.910  -4.279  -7.221
  134   1HE   LYS  20          2HE       LYS  20   6.667  -4.693  -4.730
  135   2HE   LYS  20          1HE       LYS  20   6.854  -6.299  -5.435
  136   1HZ   LYS  20          2HZ       LYS  20   9.055  -4.320  -5.394
  137   2HZ   LYS  20          1HZ       LYS  20   8.799  -5.417  -4.122
  138   3HZ   LYS  20          3HZ       LYS  20   9.152  -5.992  -5.678
  139    H    THR  21           H        THR  21   3.751  -0.248  -4.767
  140    HA   THR  21           HA       THR  21   1.678  -1.743  -6.294
  141    HB   THR  21           HB       THR  21   1.784  -1.306  -3.311
  142    HG1  THR  21           HG1      THR  21   2.772  -3.136  -3.372
  143   1HG2  THR  21          2HG2      THR  21  -0.287  -2.690  -5.033
  144   2HG2  THR  21          1HG2      THR  21  -0.281  -2.662  -3.269
  145   3HG2  THR  21          3HG2      THR  21  -0.510  -1.165  -4.175
  146    H    CYS  22           H        CYS  22   2.605   1.157  -4.798
  147    HA   CYS  22           HA       CYS  22   0.330   2.570  -6.032
  148   1HB   CYS  22          2HB       CYS  22   0.810   3.378  -3.213
  149   2HB   CYS  22          1HB       CYS  22  -0.687   3.372  -4.139
  150    H    THR  23           H        THR  23   0.696   5.032  -4.868
  151    HA   THR  23           HA       THR  23   3.532   5.663  -5.542
  152    HB   THR  23           HB       THR  23   1.143   7.471  -5.901
  153    HG1  THR  23           HG1      THR  23   1.169   5.571  -7.266
  154   1HG2  THR  23          1HG2      THR  23   3.439   8.495  -5.621
  155   2HG2  THR  23          3HG2      THR  23   3.922   7.650  -7.092
  156   3HG2  THR  23          2HG2      THR  23   2.651   8.873  -7.154
  157    H    LYS  24           H        LYS  24   1.193   5.680  -3.179
  158    HA   LYS  24           HA       LYS  24   2.925   7.162  -1.346
  159   1HB   LYS  24          2HB       LYS  24   1.599   9.035  -0.978
  160   2HB   LYS  24          1HB       LYS  24   1.313   8.775  -2.688
  161   1HG   LYS  24          2HG       LYS  24  -0.523   7.416  -0.741
  162   2HG   LYS  24          1HG       LYS  24  -0.717   9.140  -1.025
  163   1HD   LYS  24          2HD       LYS  24  -1.805   8.690  -2.932
  164   2HD   LYS  24          1HD       LYS  24  -0.347   7.925  -3.565
  165   1HE   LYS  24          2HE       LYS  24  -1.116   5.872  -2.131
  166   2HE   LYS  24          1HE       LYS  24  -2.695   6.659  -2.177
  167   1HZ   LYS  24          3HZ       LYS  24  -1.245   6.441  -4.697
  168   2HZ   LYS  24          2HZ       LYS  24  -1.885   5.004  -4.056
  169   3HZ   LYS  24          1HZ       LYS  24  -2.908   6.319  -4.388
  170    HA   PRO  25           HA       PRO  25   0.848   4.703   1.725
  171   1HB   PRO  25          2HB       PRO  25   0.315   6.466   3.752
  172   2HB   PRO  25          1HB       PRO  25   1.950   5.900   3.367
  173   1HG   PRO  25          2HG       PRO  25   0.732   8.564   2.875
  174   2HG   PRO  25          1HG       PRO  25   2.439   8.121   3.027
  175   1HD   PRO  25          1HD       PRO  25   1.019   8.625   0.615
  176   2HD   PRO  25          2HD       PRO  25   2.670   7.981   0.752
  177    H    CYS  26           H        CYS  26  -0.970   4.076   0.722
  178    HA   CYS  26           HA       CYS  26  -3.364   5.546   0.372
  179   1HB   CYS  26          2HB       CYS  26  -2.651   2.637   0.705
  180   2HB   CYS  26          1HB       CYS  26  -4.333   3.115   0.657
  181    H    SER  27           H        SER  27  -5.291   4.066   1.943
  182    HA   SER  27           HA       SER  27  -4.761   5.350   4.546
  183   1HB   SER  27          2HB       SER  27  -7.044   5.355   3.396
  184   2HB   SER  27          1HB       SER  27  -7.157   3.650   3.822
  185    HG   SER  27           HG       SER  27  -8.059   5.225   5.363
  186    H    CYS  28           H        CYS  28  -3.198   2.895   3.553
  187    HA   CYS  28           HA       CYS  28  -3.577   1.377   6.089
  188   1HB   CYS  28          2HB       CYS  28  -3.429  -0.769   4.556
  189   2HB   CYS  28          1HB       CYS  28  -4.983   0.005   4.873
  190    H    CYS  29           H        CYS  29  -1.575   1.957   3.190
  191    HA   CYS  29           HA       CYS  29   0.491   0.174   3.869
  192   1HB   CYS  29          2HB       CYS  29   1.074   2.812   2.618
  193   2HB   CYS  29          1HB       CYS  29   1.654   1.227   2.214
  194    HA   PRO  30           HA       PRO  30   2.782   2.428   6.977
  195   1HB   PRO  30          2HB       PRO  30   4.884   3.875   5.951
  196   2HB   PRO  30          1HB       PRO  30   4.902   2.111   6.134
  197   1HG   PRO  30          2HG       PRO  30   4.464   3.746   3.654
  198   2HG   PRO  30          1HG       PRO  30   5.254   2.171   3.828
  199   1HD   PRO  30          1HD       PRO  30   2.738   2.563   2.881
  200   2HD   PRO  30          2HD       PRO  30   3.287   1.035   3.590
  201    H    LYS  31           HN       LYS  31   2.880   4.440   8.144
  202    HA   LYS  31           HA       LYS  31   1.915   6.845   6.664
  203   1HB   LYS  31          2HB       LYS  31   0.603   7.281   8.901
  204   2HB   LYS  31          1HB       LYS  31  -0.087   6.198   7.690
  205   1HG   LYS  31          2HG       LYS  31   0.866   4.257   8.874
  206   2HG   LYS  31          1HG       LYS  31   1.560   5.334  10.087
  207   1HD   LYS  31          2HD       LYS  31  -0.446   4.646  11.096
  208   2HD   LYS  31          1HD       LYS  31  -0.884   6.196  10.375
  209   1HE   LYS  31          2HE       LYS  31  -2.620   4.903   9.570
  210   2HE   LYS  31          1HE       LYS  31  -1.447   4.649   8.278
  211   1HZ   LYS  31          3HZ       LYS  31  -0.671   2.670   9.564
  212   2HZ   LYS  31          2HZ       LYS  31  -2.023   2.866  10.575
  213   3HZ   LYS  31          1HZ       LYS  31  -2.235   2.533   8.922
   
   
  No H/Q in entry =         213